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 1biy_1_A DATA FIRST_RESID 1 DATA SEQUENCE APRKNVRWcT ISQPEWLKcH RWQWRMKKLG APSITcVRRA FVLEcIRAIT DATA SEQUENCE EKKADAVTLD GGMVFEAGLD PYKLRPVAAE IYGTKESPQT HYYAVAVVKK DATA SEQUENCE GSNFQLDQLQ GRNScHTGLG RSAGWNIPMG ILRPYLSWTE SLEPLQGAVA DATA SEQUENCE KFFSAScVPc VDRQAYPNLc QLcKGEGENQ cAcSPREPYF GYSGAFKcLQ DATA SEQUENCE DGAGDVAFVK ETTVFENLPE KADRDQYELL cLNNTRAPVD AFKEcHLAQV DATA SEQUENCE PSHAVVARSV DGKEDLIWKL LSKAQEKFGK NKSGSFQLFG SPPGQRDLLF DATA SEQUENCE KDSALGFLRI PSKVDSALYL GSRYLTALKN LRETAEEVQA RRARVVWcAV DATA SEQUENCE GPEEQKKcQQ WSQQSGQIVT cATASTTDDc IALVLKGEAD ALSLDGGYIY DATA SEQUENCE TAGKcGLVPV LAENRKSSKH SSLDcVLRPT EGYLAVAVVK KANEGLTWNS DATA SEQUENCE LKGKKScHTA VDRTAGWNIP MGLIANQTGS cAFDEFFSQS cAPGADPKSR DATA SEQUENCE LcALcAGDDQ GLDKcVPNSK EKYYGYTGAF RcLAEDVGDV AFVKNDTVWE DATA SEQUENCE NTNGESTADW AKNLNREDFR LLcLDGTRKP VTEAQScHLA VAPNHAVVSL DATA SEQUENCE SERAAHVEQV LLHQQALFGE NGKNcPDKFc LFKSETKNLL FNDNTEcLAK DATA SEQUENCE LGGRPTYEEY LGTEYVTAIA NLKKcSTSPL LEAcAFLTR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.572 177.584 -0.021 0.000 1.274 1 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 1 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 2 P HA -0.079 nan 4.420 nan 0.000 0.218 2 P C 0.679 177.971 177.300 -0.012 0.000 1.146 2 P CA 1.281 64.373 63.100 -0.013 0.000 0.813 2 P CB 0.178 31.872 31.700 -0.010 0.000 0.778 3 R N -1.243 119.250 120.500 -0.011 0.000 2.662 3 R HA 0.226 4.512 4.340 -0.089 0.000 0.396 3 R C 0.793 177.089 176.300 -0.008 0.000 1.096 3 R CA -0.120 55.975 56.100 -0.008 0.000 1.081 3 R CB 0.599 30.896 30.300 -0.006 0.000 1.382 3 R HN 0.009 nan 8.270 nan 0.000 0.580 4 K N 1.100 121.492 120.400 -0.013 0.000 2.447 4 K HA 0.116 4.382 4.320 -0.089 0.000 0.205 4 K C -0.223 176.363 176.600 -0.024 0.000 1.059 4 K CA 0.067 56.345 56.287 -0.015 0.000 1.065 4 K CB 0.637 33.126 32.500 -0.018 0.000 0.885 4 K HN 0.262 nan 8.250 nan 0.000 0.545 5 N N -0.439 118.246 118.700 -0.024 0.000 2.269 5 N HA 0.174 4.861 4.740 -0.089 0.000 0.304 5 N C -0.987 174.512 175.510 -0.019 0.000 1.072 5 N CA -0.417 52.612 53.050 -0.035 0.000 0.802 5 N CB 2.377 40.839 38.487 -0.041 0.000 1.348 5 N HN -0.358 nan 8.380 nan 0.000 0.484 6 V N 2.515 122.419 119.914 -0.016 0.000 2.311 6 V HA 0.361 4.427 4.120 -0.089 0.000 0.275 6 V C 0.419 176.538 176.094 0.041 0.000 1.022 6 V CA -0.752 61.560 62.300 0.019 0.000 0.830 6 V CB 0.342 32.204 31.823 0.065 0.000 1.012 6 V HN 0.579 nan 8.190 nan 0.000 0.452 7 R N 4.470 124.987 120.500 0.029 0.000 2.288 7 R HA 0.156 4.442 4.340 -0.089 0.000 0.330 7 R C -0.413 175.941 176.300 0.090 0.000 1.069 7 R CA -0.187 55.948 56.100 0.058 0.000 0.941 7 R CB 0.738 31.058 30.300 0.034 0.000 0.998 7 R HN 0.695 nan 8.270 nan 0.000 0.452 8 W N 4.423 125.737 121.300 0.023 0.000 2.316 8 W HA 0.208 4.815 4.660 -0.088 0.000 0.321 8 W C -0.541 176.038 176.519 0.100 0.000 1.203 8 W CA -1.149 56.237 57.345 0.070 0.000 1.214 8 W CB 1.449 30.963 29.460 0.090 0.000 1.169 8 W HN 0.432 nan 8.180 nan 0.000 0.561 9 c N 7.051 125.707 118.600 0.094 0.000 2.223 9 c HA 0.386 4.903 4.570 -0.089 0.000 0.324 9 c C 0.998 175.284 174.090 0.325 0.000 1.196 9 c CA -0.116 56.317 56.329 0.174 0.000 1.628 9 c CB -1.101 41.407 42.510 -0.003 0.000 2.229 9 c HN 0.621 nan 8.230 nan 0.000 0.486 10 T N 2.701 117.469 114.554 0.357 0.000 2.788 10 T HA 0.510 4.807 4.350 -0.089 0.000 0.280 10 T C 0.415 175.249 174.700 0.224 0.000 0.984 10 T CA -0.402 61.897 62.100 0.331 0.000 0.972 10 T CB 0.924 70.035 68.868 0.407 0.000 1.039 10 T HN 0.953 nan 8.240 nan 0.000 0.530 11 I N -1.709 118.982 120.570 0.201 0.000 3.578 11 I HA 0.490 4.606 4.170 -0.089 0.000 0.321 11 I C -0.318 175.878 176.117 0.132 0.000 1.510 11 I CA -0.718 60.672 61.300 0.150 0.000 1.002 11 I CB 0.227 38.320 38.000 0.154 0.000 1.427 11 I HN 0.816 nan 8.210 nan 0.000 0.575 12 S N -1.014 114.772 115.700 0.144 0.000 2.669 12 S HA 0.183 4.599 4.470 -0.089 0.000 0.304 12 S C 0.148 174.849 174.600 0.169 0.000 1.021 12 S CA -0.509 57.766 58.200 0.125 0.000 0.854 12 S CB 1.720 65.001 63.200 0.137 0.000 1.048 12 S HN 0.278 nan 8.310 nan 0.000 0.452 13 Q N 1.816 121.691 119.800 0.125 0.000 2.118 13 Q HA -0.071 4.216 4.340 -0.089 0.000 0.211 13 Q C -0.828 175.317 176.000 0.242 0.000 0.998 13 Q CA 3.399 59.318 55.803 0.193 0.000 0.872 13 Q CB -0.946 27.858 28.738 0.109 0.000 0.925 13 Q HN 0.725 nan 8.270 nan 0.000 0.414 14 P HA -0.186 nan 4.420 nan 0.000 0.215 14 P C 0.596 177.976 177.300 0.133 0.000 1.153 14 P CA 1.509 64.686 63.100 0.129 0.000 0.853 14 P CB -0.059 31.706 31.700 0.109 0.000 0.788 15 E N -1.493 118.805 120.200 0.162 0.000 2.106 15 E HA -0.186 4.110 4.350 -0.089 0.000 0.192 15 E C 1.920 178.626 176.600 0.176 0.000 0.984 15 E CA 0.673 57.165 56.400 0.154 0.000 0.806 15 E CB -0.472 29.336 29.700 0.181 0.000 0.750 15 E HN 0.117 nan 8.360 nan 0.000 0.458 16 W N 1.229 122.546 121.300 0.028 0.000 2.338 16 W HA -0.226 4.380 4.660 -0.090 0.000 0.304 16 W C 2.026 178.500 176.519 -0.074 0.000 1.212 16 W CA 1.682 59.019 57.345 -0.013 0.000 1.264 16 W CB -0.464 28.961 29.460 -0.059 0.000 1.142 16 W HN 0.211 nan 8.180 nan 0.000 0.512 17 L N 1.726 122.883 121.223 -0.109 0.000 2.072 17 L HA -0.069 4.217 4.340 -0.089 0.000 0.205 17 L C 2.424 179.207 176.870 -0.146 0.000 1.079 17 L CA 2.752 57.444 54.840 -0.247 0.000 0.752 17 L CB -1.458 40.561 42.059 -0.067 0.000 0.906 17 L HN 0.056 nan 8.230 nan 0.000 0.436 18 K N -0.541 119.836 120.400 -0.038 0.000 2.113 18 K HA -0.258 4.009 4.320 -0.089 0.000 0.208 18 K C 2.374 178.971 176.600 -0.005 0.000 1.047 18 K CA 1.930 58.226 56.287 0.015 0.000 0.928 18 K CB -0.723 31.811 32.500 0.055 0.000 0.716 18 K HN 0.712 nan 8.250 nan 0.000 0.446 19 c N 0.281 118.875 118.600 -0.011 0.000 2.453 19 c HA -0.062 4.455 4.570 -0.089 0.000 0.277 19 c C 2.365 176.454 174.090 -0.001 0.000 1.262 19 c CA 1.060 57.424 56.329 0.058 0.000 1.718 19 c CB -1.225 41.330 42.510 0.076 0.000 2.031 19 c HN 0.529 nan 8.230 nan 0.000 0.480 20 H N 0.038 118.924 119.070 -0.308 0.000 2.421 20 H HA -0.057 4.445 4.556 -0.089 0.000 0.298 20 H C 2.494 177.688 175.328 -0.223 0.000 1.087 20 H CA 1.442 57.304 56.048 -0.309 0.000 1.330 20 H CB -0.084 29.408 29.762 -0.449 0.000 1.388 20 H HN 0.569 nan 8.280 nan 0.000 0.526 21 R N -0.140 120.283 120.500 -0.129 0.000 2.115 21 R HA -0.161 4.125 4.340 -0.089 0.000 0.230 21 R C 2.095 178.102 176.300 -0.489 0.000 1.111 21 R CA 1.011 56.964 56.100 -0.245 0.000 0.976 21 R CB -0.141 30.022 30.300 -0.227 0.000 0.870 21 R HN 0.379 nan 8.270 nan 0.000 0.445 22 W N 1.931 122.732 121.300 -0.832 0.000 2.436 22 W HA -0.071 4.535 4.660 -0.090 0.000 0.284 22 W C 1.893 178.111 176.519 -0.502 0.000 1.225 22 W CA 0.820 57.546 57.345 -1.031 0.000 1.271 22 W CB -0.396 28.635 29.460 -0.715 0.000 1.114 22 W HN 0.062 nan 8.180 nan 0.000 0.559 23 Q N -1.207 118.420 119.800 -0.287 0.000 2.084 23 Q HA -0.258 4.029 4.340 -0.089 0.000 0.202 23 Q C 2.238 178.128 176.000 -0.184 0.000 0.978 23 Q CA 2.151 57.751 55.803 -0.338 0.000 0.844 23 Q CB -0.857 27.656 28.738 -0.374 0.000 0.898 23 Q HN 0.407 nan 8.270 nan 0.000 0.426 24 W N 0.645 121.778 121.300 -0.279 0.000 2.354 24 W HA -0.194 4.412 4.660 -0.089 0.000 0.315 24 W C 2.237 178.668 176.519 -0.146 0.000 1.206 24 W CA 1.268 58.498 57.345 -0.191 0.000 1.290 24 W CB 0.076 29.435 29.460 -0.169 0.000 1.152 24 W HN 0.055 nan 8.180 nan 0.000 0.489 25 R N -0.645 120.037 120.500 0.304 0.000 2.148 25 R HA -0.134 4.152 4.340 -0.089 0.000 0.227 25 R C 1.999 178.494 176.300 0.325 0.000 1.103 25 R CA 1.295 57.580 56.100 0.308 0.000 0.983 25 R CB -0.449 29.743 30.300 -0.181 0.000 0.874 25 R HN 0.134 nan 8.270 nan 0.000 0.451 26 M N -0.216 119.450 119.600 0.111 0.000 2.506 26 M HA 0.045 4.471 4.480 -0.089 0.000 0.260 26 M C 1.328 177.619 176.300 -0.014 0.000 1.104 26 M CA 1.147 56.488 55.300 0.068 0.000 1.112 26 M CB -0.096 32.364 32.600 -0.233 0.000 1.401 26 M HN -0.008 nan 8.290 nan 0.000 0.473 27 K N 0.766 121.122 120.400 -0.072 0.000 1.980 27 K HA -0.142 4.124 4.320 -0.089 0.000 0.208 27 K C 1.705 178.242 176.600 -0.104 0.000 1.043 27 K CA 1.393 57.592 56.287 -0.147 0.000 0.938 27 K CB -0.121 32.209 32.500 -0.284 0.000 0.724 27 K HN 0.296 nan 8.250 nan 0.000 0.438 28 K N 1.074 121.419 120.400 -0.092 0.000 2.362 28 K HA -0.132 4.134 4.320 -0.089 0.000 0.202 28 K C 1.480 178.098 176.600 0.029 0.000 1.045 28 K CA 1.330 57.596 56.287 -0.034 0.000 0.936 28 K CB -0.299 32.240 32.500 0.066 0.000 0.747 28 K HN 0.126 nan 8.250 nan 0.000 0.467 29 L N 0.582 121.839 121.223 0.057 0.000 2.592 29 L HA 0.213 4.499 4.340 -0.089 0.000 0.227 29 L C 0.522 177.401 176.870 0.015 0.000 1.127 29 L CA 0.016 54.891 54.840 0.057 0.000 0.884 29 L CB -0.479 41.644 42.059 0.107 0.000 1.065 29 L HN 0.470 nan 8.230 nan 0.000 0.457 30 G N 1.408 110.200 108.800 -0.015 0.000 2.269 30 G HA2 -0.009 3.897 3.960 -0.089 0.000 0.237 30 G HA3 -0.009 3.897 3.960 -0.089 0.000 0.237 30 G C -0.088 174.797 174.900 -0.026 0.000 0.761 30 G CA 0.288 45.369 45.100 -0.031 0.000 1.141 30 G HN 0.582 nan 8.290 nan 0.000 0.319 31 A N 3.984 126.780 122.820 -0.039 0.000 2.534 31 A HA 0.985 5.251 4.320 -0.089 0.000 0.300 31 A C -2.650 174.901 177.584 -0.056 0.000 1.223 31 A CA -0.630 51.386 52.037 -0.036 0.000 0.666 31 A CB 0.991 19.978 19.000 -0.023 0.000 1.316 31 A HN 0.709 nan 8.150 nan 0.000 0.468 32 P HA 0.110 nan 4.420 nan 0.000 0.258 32 P C 0.132 177.371 177.300 -0.100 0.000 1.214 32 P CA 0.510 63.576 63.100 -0.058 0.000 0.872 32 P CB -0.219 31.461 31.700 -0.035 0.000 0.890 33 S N 4.611 120.248 115.700 -0.106 0.000 2.714 33 S HA 0.060 4.477 4.470 -0.089 0.000 0.318 33 S C 0.841 175.345 174.600 -0.160 0.000 1.219 33 S CA -0.767 57.345 58.200 -0.146 0.000 1.175 33 S CB -0.923 62.200 63.200 -0.127 0.000 0.961 33 S HN 0.442 nan 8.310 nan 0.000 0.518 34 I N 1.516 121.943 120.570 -0.239 0.000 2.710 34 I HA 0.327 4.443 4.170 -0.089 0.000 0.286 34 I C 0.277 176.287 176.117 -0.178 0.000 1.181 34 I CA -0.174 60.984 61.300 -0.237 0.000 1.430 34 I CB 0.213 37.936 38.000 -0.463 0.000 1.367 34 I HN 0.378 nan 8.210 nan 0.000 0.577 35 T N 5.240 119.748 114.554 -0.077 0.000 2.888 35 T HA 0.459 4.756 4.350 -0.089 0.000 0.284 35 T C -0.824 173.907 174.700 0.051 0.000 1.017 35 T CA -0.326 61.750 62.100 -0.039 0.000 1.022 35 T CB 1.204 70.069 68.868 -0.005 0.000 1.013 35 T HN 0.729 nan 8.240 nan 0.000 0.465 36 c N 3.627 122.286 118.600 0.098 0.000 2.356 36 c HA 0.608 5.125 4.570 -0.089 0.000 0.324 36 c C 0.477 174.826 174.090 0.433 0.000 1.167 36 c CA -1.069 55.421 56.329 0.269 0.000 1.420 36 c CB -0.575 42.087 42.510 0.253 0.000 2.036 36 c HN 0.816 nan 8.230 nan 0.000 0.435 37 V N 3.543 123.656 119.914 0.332 0.000 3.083 37 V HA 0.716 4.783 4.120 -0.089 0.000 0.306 37 V C -0.110 176.168 176.094 0.306 0.000 1.077 37 V CA -0.190 62.272 62.300 0.270 0.000 1.073 37 V CB 1.255 33.164 31.823 0.144 0.000 1.081 37 V HN 0.794 nan 8.190 nan 0.000 0.474 38 R N 2.100 122.667 120.500 0.112 0.000 2.807 38 R HA 0.739 5.025 4.340 -0.089 0.000 0.276 38 R C -0.692 175.578 176.300 -0.049 0.000 0.979 38 R CA -0.705 55.386 56.100 -0.016 0.000 0.928 38 R CB 2.402 32.415 30.300 -0.478 0.000 1.191 38 R HN 1.078 nan 8.270 nan 0.000 0.471 39 R N -0.448 120.035 120.500 -0.028 0.000 3.217 39 R HA 0.538 4.825 4.340 -0.089 0.000 0.261 39 R C -0.612 175.675 176.300 -0.022 0.000 1.028 39 R CA 0.095 56.168 56.100 -0.045 0.000 0.895 39 R CB 0.962 31.253 30.300 -0.015 0.000 1.487 39 R HN 0.585 nan 8.270 nan 0.000 0.419 40 A N -0.134 122.672 122.820 -0.023 0.000 2.474 40 A HA 0.422 4.689 4.320 -0.089 0.000 0.221 40 A C -0.880 176.924 177.584 0.367 0.000 1.298 40 A CA 0.175 52.253 52.037 0.069 0.000 1.008 40 A CB 0.733 19.709 19.000 -0.039 0.000 1.217 40 A HN 0.183 nan 8.150 nan 0.000 0.553 41 F N -0.950 118.970 119.950 -0.050 0.000 2.495 41 F HA 0.368 4.841 4.527 -0.090 0.000 0.327 41 F C 1.141 176.918 175.800 -0.038 0.000 1.103 41 F CA -1.656 56.308 58.000 -0.061 0.000 0.949 41 F CB 1.913 40.877 39.000 -0.060 0.000 1.142 41 F HN -0.154 nan 8.300 nan 0.000 0.457 42 V N 4.978 124.957 119.914 0.109 0.000 3.241 42 V HA -0.150 3.916 4.120 -0.089 0.000 0.269 42 V C 1.368 177.488 176.094 0.042 0.000 1.151 42 V CA 1.800 64.146 62.300 0.076 0.000 1.158 42 V CB -0.597 31.267 31.823 0.068 0.000 0.764 42 V HN 0.795 nan 8.190 nan 0.000 0.508 43 L N -0.641 120.621 121.223 0.065 0.000 2.189 43 L HA 0.057 4.343 4.340 -0.089 0.000 0.199 43 L C 2.540 179.402 176.870 -0.014 0.000 1.074 43 L CA 1.296 56.140 54.840 0.006 0.000 0.783 43 L CB -0.252 41.842 42.059 0.058 0.000 0.955 43 L HN 0.276 nan 8.230 nan 0.000 0.460 44 E N -0.905 119.350 120.200 0.090 0.000 2.219 44 E HA -0.302 3.994 4.350 -0.089 0.000 0.198 44 E C 2.204 178.793 176.600 -0.019 0.000 0.998 44 E CA 1.432 57.845 56.400 0.022 0.000 0.818 44 E CB -0.303 29.398 29.700 0.001 0.000 0.741 44 E HN 0.554 nan 8.360 nan 0.000 0.477 45 c N 0.308 118.907 118.600 -0.002 0.000 2.446 45 c HA -0.080 4.436 4.570 -0.089 0.000 0.277 45 c C 2.588 176.631 174.090 -0.077 0.000 1.275 45 c CA 0.222 56.539 56.329 -0.018 0.000 1.727 45 c CB -0.684 41.836 42.510 0.017 0.000 2.010 45 c HN 0.397 nan 8.230 nan 0.000 0.486 46 I N 0.018 120.511 120.570 -0.129 0.000 2.226 46 I HA -0.200 3.916 4.170 -0.089 0.000 0.245 46 I C 2.790 178.755 176.117 -0.254 0.000 1.100 46 I CA 1.317 62.478 61.300 -0.231 0.000 1.374 46 I CB -0.421 37.347 38.000 -0.387 0.000 1.057 46 I HN 0.309 nan 8.210 nan 0.000 0.413 47 R N 0.622 120.983 120.500 -0.231 0.000 2.088 47 R HA -0.199 4.087 4.340 -0.089 0.000 0.232 47 R C 2.385 178.662 176.300 -0.038 0.000 1.136 47 R CA 1.810 57.849 56.100 -0.100 0.000 0.926 47 R CB -1.033 29.252 30.300 -0.025 0.000 0.837 47 R HN 0.386 nan 8.270 nan 0.000 0.429 48 A N 1.395 124.192 122.820 -0.039 0.000 1.915 48 A HA -0.232 4.034 4.320 -0.089 0.000 0.220 48 A C 2.349 179.914 177.584 -0.031 0.000 1.198 48 A CA 1.868 53.889 52.037 -0.026 0.000 0.647 48 A CB -0.787 18.198 19.000 -0.024 0.000 0.825 48 A HN 0.291 nan 8.150 nan 0.000 0.456 49 I N -1.238 119.299 120.570 -0.055 0.000 2.099 49 I HA -0.259 3.857 4.170 -0.089 0.000 0.239 49 I C 2.711 178.806 176.117 -0.036 0.000 1.066 49 I CA 2.007 63.269 61.300 -0.063 0.000 1.324 49 I CB -0.649 37.293 38.000 -0.096 0.000 1.037 49 I HN 0.288 nan 8.210 nan 0.000 0.401 50 T N -0.367 114.174 114.554 -0.022 0.000 2.759 50 T HA -0.241 4.056 4.350 -0.089 0.000 0.269 50 T C 1.456 176.175 174.700 0.031 0.000 1.042 50 T CA 1.330 63.445 62.100 0.026 0.000 1.140 50 T CB -0.255 68.675 68.868 0.103 0.000 0.864 50 T HN 0.298 nan 8.240 nan 0.000 0.455 51 E N 0.568 120.782 120.200 0.024 0.000 2.365 51 E HA 0.048 4.344 4.350 -0.089 0.000 0.188 51 E C 0.273 176.876 176.600 0.005 0.000 1.102 51 E CA -0.088 56.325 56.400 0.021 0.000 0.927 51 E CB -0.075 29.638 29.700 0.022 0.000 1.073 51 E HN 0.333 nan 8.360 nan 0.000 0.467 52 K N -0.669 119.730 120.400 -0.002 0.000 3.048 52 K HA -0.296 3.971 4.320 -0.089 0.000 0.274 52 K C 0.349 176.944 176.600 -0.008 0.000 1.098 52 K CA 1.090 57.373 56.287 -0.008 0.000 0.807 52 K CB -1.206 31.291 32.500 -0.004 0.000 1.217 52 K HN 0.227 nan 8.250 nan 0.000 0.477 53 K N -0.335 120.060 120.400 -0.008 0.000 2.353 53 K HA 0.263 4.529 4.320 -0.089 0.000 0.195 53 K C 0.756 177.352 176.600 -0.007 0.000 1.031 53 K CA 0.644 56.927 56.287 -0.005 0.000 1.079 53 K CB 0.872 33.370 32.500 -0.005 0.000 0.857 53 K HN 0.320 nan 8.250 nan 0.000 0.535 54 A N 0.441 123.249 122.820 -0.020 0.000 2.564 54 A HA 0.404 4.670 4.320 -0.089 0.000 0.288 54 A C -0.856 176.692 177.584 -0.059 0.000 1.164 54 A CA -0.722 51.294 52.037 -0.033 0.000 0.712 54 A CB 1.260 20.233 19.000 -0.046 0.000 1.303 54 A HN -0.061 nan 8.150 nan 0.000 0.418 55 D N -0.866 119.475 120.400 -0.097 0.000 2.766 55 D HA 0.458 5.045 4.640 -0.089 0.000 0.284 55 D C 0.511 176.689 176.300 -0.204 0.000 1.050 55 D CA 1.411 55.341 54.000 -0.118 0.000 0.945 55 D CB 1.090 41.840 40.800 -0.084 0.000 1.272 55 D HN 0.858 nan 8.370 nan 0.000 0.482 56 A N 0.290 122.885 122.820 -0.375 0.000 2.599 56 A HA 0.646 4.912 4.320 -0.089 0.000 0.290 56 A C -1.589 175.456 177.584 -0.898 0.000 1.101 56 A CA -0.485 51.215 52.037 -0.562 0.000 0.674 56 A CB 2.028 20.658 19.000 -0.617 0.000 1.277 56 A HN -0.014 nan 8.150 nan 0.000 0.419 57 V N -0.684 118.839 119.914 -0.653 0.000 3.279 57 V HA 0.766 4.832 4.120 -0.089 0.000 0.296 57 V C -1.293 174.811 176.094 0.016 0.000 1.470 57 V CA -0.057 62.021 62.300 -0.370 0.000 1.065 57 V CB 2.472 34.227 31.823 -0.114 0.000 1.124 57 V HN 1.350 nan 8.190 nan 0.000 0.461 58 T N 4.166 118.910 114.554 0.316 0.000 2.779 58 T HA 0.771 5.067 4.350 -0.089 0.000 0.280 58 T C -0.742 174.132 174.700 0.290 0.000 0.987 58 T CA -0.291 62.056 62.100 0.412 0.000 0.966 58 T CB 0.945 70.205 68.868 0.653 0.000 0.933 58 T HN 0.569 nan 8.240 nan 0.000 0.442 59 L N 2.119 123.476 121.223 0.223 0.000 2.370 59 L HA 0.572 4.858 4.340 -0.089 0.000 0.266 59 L C -0.037 176.827 176.870 -0.009 0.000 1.002 59 L CA -1.290 53.618 54.840 0.113 0.000 0.818 59 L CB 1.852 43.970 42.059 0.099 0.000 1.325 59 L HN 0.592 nan 8.230 nan 0.000 0.418 60 D N 0.955 121.184 120.400 -0.286 0.000 2.372 60 D HA 0.220 4.807 4.640 -0.089 0.000 0.243 60 D C 1.378 177.690 176.300 0.021 0.000 1.121 60 D CA 0.521 54.155 54.000 -0.609 0.000 0.898 60 D CB 1.775 42.226 40.800 -0.582 0.000 1.202 60 D HN 0.621 nan 8.370 nan 0.000 0.428 61 G N 2.775 111.705 108.800 0.217 0.000 2.783 61 G HA2 -0.409 3.497 3.960 -0.089 0.000 0.225 61 G HA3 -0.409 3.497 3.960 -0.089 0.000 0.225 61 G C 1.414 176.519 174.900 0.343 0.000 1.191 61 G CA 1.359 46.656 45.100 0.328 0.000 0.774 61 G HN 0.728 nan 8.290 nan 0.000 0.632 62 G N 0.137 109.119 108.800 0.305 0.000 2.631 62 G HA2 -0.307 3.599 3.960 -0.089 0.000 0.219 62 G HA3 -0.307 3.599 3.960 -0.089 0.000 0.219 62 G C 1.817 176.867 174.900 0.250 0.000 1.214 62 G CA 1.958 47.202 45.100 0.239 0.000 0.785 62 G HN 0.325 nan 8.290 nan 0.000 0.596 63 M N 0.134 119.843 119.600 0.182 0.000 2.089 63 M HA -0.086 4.341 4.480 -0.089 0.000 0.257 63 M C 2.758 179.171 176.300 0.188 0.000 1.071 63 M CA 0.687 56.081 55.300 0.156 0.000 1.096 63 M CB -1.171 31.485 32.600 0.093 0.000 1.330 63 M HN 0.098 nan 8.290 nan 0.000 0.403 64 V N -0.137 119.906 119.914 0.216 0.000 2.220 64 V HA -0.333 3.734 4.120 -0.089 0.000 0.250 64 V C 2.167 178.409 176.094 0.247 0.000 1.056 64 V CA 2.427 64.863 62.300 0.226 0.000 1.016 64 V CB -0.930 31.082 31.823 0.316 0.000 0.639 64 V HN 0.497 nan 8.190 nan 0.000 0.446 65 F N 1.237 121.274 119.950 0.146 0.000 2.063 65 F HA -0.245 4.229 4.527 -0.089 0.000 0.298 65 F C 2.513 178.367 175.800 0.091 0.000 1.109 65 F CA 2.385 60.448 58.000 0.106 0.000 1.212 65 F CB -0.556 38.483 39.000 0.065 0.000 0.973 65 F HN 0.217 nan 8.300 nan 0.000 0.480 66 E N 0.809 121.282 120.200 0.454 0.000 2.049 66 E HA -0.269 4.027 4.350 -0.089 0.000 0.198 66 E C 2.459 179.126 176.600 0.111 0.000 1.007 66 E CA 1.433 57.995 56.400 0.270 0.000 0.809 66 E CB -1.051 28.816 29.700 0.278 0.000 0.749 66 E HN 0.539 nan 8.360 nan 0.000 0.450 67 A N 1.214 124.097 122.820 0.105 0.000 1.986 67 A HA -0.129 4.138 4.320 -0.089 0.000 0.220 67 A C 2.421 180.051 177.584 0.077 0.000 1.171 67 A CA 1.883 53.958 52.037 0.064 0.000 0.640 67 A CB -1.018 17.993 19.000 0.018 0.000 0.811 67 A HN 0.344 nan 8.150 nan 0.000 0.451 68 G N -0.834 107.968 108.800 0.004 0.000 2.679 68 G HA2 0.227 4.133 3.960 -0.089 0.000 0.212 68 G HA3 0.227 4.133 3.960 -0.089 0.000 0.212 68 G C 0.585 175.435 174.900 -0.085 0.000 1.137 68 G CA -0.070 45.007 45.100 -0.040 0.000 0.787 68 G HN 0.443 nan 8.290 nan 0.000 0.534 69 L N 0.315 121.479 121.223 -0.097 0.000 2.417 69 L HA 0.152 4.438 4.340 -0.089 0.000 0.268 69 L C 1.273 178.093 176.870 -0.083 0.000 1.158 69 L CA -0.763 54.002 54.840 -0.124 0.000 0.819 69 L CB 0.641 42.610 42.059 -0.151 0.000 1.112 69 L HN 0.036 nan 8.230 nan 0.000 0.458 70 D N 2.084 122.418 120.400 -0.109 0.000 2.339 70 D HA -0.224 4.362 4.640 -0.089 0.000 0.189 70 D C -0.426 175.767 176.300 -0.178 0.000 1.022 70 D CA 2.104 56.036 54.000 -0.113 0.000 0.884 70 D CB -0.829 39.910 40.800 -0.102 0.000 0.916 70 D HN 0.569 nan 8.370 nan 0.000 0.453 71 P HA -0.134 nan 4.420 nan 0.000 0.216 71 P C -0.277 176.672 177.300 -0.584 0.000 1.154 71 P CA 1.393 64.142 63.100 -0.586 0.000 0.865 71 P CB -0.011 31.096 31.700 -0.989 0.000 0.789 72 Y N -2.544 117.739 120.300 -0.028 0.000 2.307 72 Y HA 0.479 4.976 4.550 -0.089 0.000 0.323 72 Y C -0.078 175.799 175.900 -0.038 0.000 1.100 72 Y CA -2.079 56.005 58.100 -0.027 0.000 1.140 72 Y CB 0.588 39.038 38.460 -0.017 0.000 1.159 72 Y HN -0.324 nan 8.280 nan 0.000 0.436 73 K N 5.086 125.549 120.400 0.105 0.000 2.266 73 K HA 0.554 4.820 4.320 -0.089 0.000 0.274 73 K C -1.277 175.342 176.600 0.032 0.000 1.090 73 K CA -0.136 56.178 56.287 0.045 0.000 0.925 73 K CB 0.307 32.807 32.500 0.000 0.000 1.225 73 K HN 0.828 nan 8.250 nan 0.000 0.458 74 L N 2.993 124.233 121.223 0.028 0.000 2.365 74 L HA 0.587 4.874 4.340 -0.089 0.000 0.267 74 L C 0.206 177.069 176.870 -0.013 0.000 1.033 74 L CA -1.211 53.629 54.840 -0.000 0.000 0.802 74 L CB 1.686 43.739 42.059 -0.010 0.000 1.267 74 L HN 0.620 nan 8.230 nan 0.000 0.457 75 R N 1.269 121.749 120.500 -0.032 0.000 2.628 75 R HA 0.371 4.658 4.340 -0.089 0.000 0.288 75 R C -2.577 173.674 176.300 -0.082 0.000 0.980 75 R CA -1.753 54.317 56.100 -0.049 0.000 0.891 75 R CB 2.514 32.779 30.300 -0.059 0.000 1.188 75 R HN 0.242 nan 8.270 nan 0.000 0.450 76 P HA -0.014 nan 4.420 nan 0.000 0.263 76 P C 0.600 177.755 177.300 -0.242 0.000 1.276 76 P CA 0.162 63.116 63.100 -0.243 0.000 0.986 76 P CB 0.693 32.080 31.700 -0.522 0.000 1.105 77 V N 3.129 122.954 119.914 -0.148 0.000 2.323 77 V HA -0.014 4.053 4.120 -0.089 0.000 0.244 77 V C 1.243 177.258 176.094 -0.132 0.000 1.041 77 V CA 2.245 64.473 62.300 -0.119 0.000 1.025 77 V CB -0.557 31.242 31.823 -0.039 0.000 0.656 77 V HN 0.636 nan 8.190 nan 0.000 0.451 78 A N -0.930 121.856 122.820 -0.056 0.000 2.427 78 A HA 0.824 5.090 4.320 -0.089 0.000 0.298 78 A C -0.498 177.158 177.584 0.120 0.000 1.036 78 A CA 0.031 52.085 52.037 0.028 0.000 0.701 78 A CB 1.386 20.479 19.000 0.155 0.000 1.250 78 A HN 0.427 nan 8.150 nan 0.000 0.412 79 A N 1.608 124.526 122.820 0.163 0.000 2.302 79 A HA 0.655 4.921 4.320 -0.089 0.000 0.285 79 A C 0.167 177.950 177.584 0.332 0.000 1.105 79 A CA -0.318 51.864 52.037 0.242 0.000 0.816 79 A CB 0.300 19.490 19.000 0.317 0.000 1.067 79 A HN 0.833 nan 8.150 nan 0.000 0.489 80 E N 0.087 120.422 120.200 0.225 0.000 2.318 80 E HA 0.469 4.765 4.350 -0.089 0.000 0.265 80 E C -0.932 175.481 176.600 -0.312 0.000 1.069 80 E CA -0.186 56.237 56.400 0.038 0.000 0.893 80 E CB 1.057 30.758 29.700 0.001 0.000 1.076 80 E HN 0.549 nan 8.360 nan 0.000 0.414 81 I N 2.692 123.012 120.570 -0.417 0.000 2.404 81 I HA 0.288 4.405 4.170 -0.089 0.000 0.293 81 I C -0.872 175.037 176.117 -0.346 0.000 0.992 81 I CA -0.714 60.367 61.300 -0.366 0.000 1.149 81 I CB 0.534 38.406 38.000 -0.212 0.000 1.315 81 I HN 0.379 nan 8.210 nan 0.000 0.446 82 Y N 3.047 123.262 120.300 -0.141 0.000 2.675 82 Y HA 0.874 5.371 4.550 -0.089 0.000 0.328 82 Y C 0.883 176.688 175.900 -0.160 0.000 1.092 82 Y CA -1.101 56.891 58.100 -0.181 0.000 1.190 82 Y CB 1.029 39.392 38.460 -0.161 0.000 1.350 82 Y HN 0.783 nan 8.280 nan 0.000 0.525 83 G N 0.027 108.845 108.800 0.030 0.000 2.451 83 G HA2 0.074 3.980 3.960 -0.089 0.000 0.208 83 G HA3 0.074 3.980 3.960 -0.089 0.000 0.208 83 G C -0.491 174.365 174.900 -0.072 0.000 1.248 83 G CA -0.449 44.632 45.100 -0.032 0.000 0.989 83 G HN 1.091 nan 8.290 nan 0.000 0.559 84 T N -1.564 112.953 114.554 -0.063 0.000 2.940 84 T HA 0.632 4.928 4.350 -0.089 0.000 0.288 84 T C 1.320 175.983 174.700 -0.062 0.000 1.033 84 T CA 0.598 62.654 62.100 -0.074 0.000 1.033 84 T CB 1.871 70.698 68.868 -0.069 0.000 1.079 84 T HN 0.992 nan 8.240 nan 0.000 0.496 85 K N 0.538 120.899 120.400 -0.065 0.000 2.228 85 K HA -0.210 4.057 4.320 -0.089 0.000 0.205 85 K C 1.125 177.702 176.600 -0.038 0.000 1.045 85 K CA 2.100 58.355 56.287 -0.054 0.000 0.931 85 K CB -0.045 32.425 32.500 -0.049 0.000 0.727 85 K HN 0.773 nan 8.250 nan 0.000 0.458 86 E N -0.925 119.253 120.200 -0.035 0.000 2.389 86 E HA 0.039 4.335 4.350 -0.089 0.000 0.199 86 E C 0.279 176.867 176.600 -0.020 0.000 0.978 86 E CA 0.022 56.407 56.400 -0.025 0.000 0.912 86 E CB 0.860 30.545 29.700 -0.025 0.000 0.907 86 E HN 0.038 nan 8.360 nan 0.000 0.494 87 S N 1.349 117.035 115.700 -0.023 0.000 2.272 87 S HA 0.301 4.717 4.470 -0.089 0.000 0.207 87 S C -2.740 171.853 174.600 -0.012 0.000 1.336 87 S CA -1.696 56.496 58.200 -0.013 0.000 1.259 87 S CB -0.082 63.112 63.200 -0.009 0.000 1.130 87 S HN -0.139 nan 8.310 nan 0.000 0.444 88 P HA 0.196 nan 4.420 nan 0.000 0.269 88 P C -0.805 176.492 177.300 -0.005 0.000 1.209 88 P CA 0.162 63.249 63.100 -0.022 0.000 0.776 88 P CB 0.360 32.042 31.700 -0.031 0.000 0.876 89 Q N -0.306 119.491 119.800 -0.005 0.000 2.416 89 Q HA 0.606 4.893 4.340 -0.089 0.000 0.281 89 Q C -0.741 175.253 176.000 -0.010 0.000 1.067 89 Q CA -0.844 54.968 55.803 0.015 0.000 0.809 89 Q CB 1.189 29.906 28.738 -0.034 0.000 1.418 89 Q HN 0.345 nan 8.270 nan 0.000 0.411 90 T N -2.084 112.493 114.554 0.039 0.000 3.182 90 T HA 0.209 4.505 4.350 -0.089 0.000 0.277 90 T C -0.029 174.691 174.700 0.033 0.000 1.013 90 T CA -0.204 61.875 62.100 -0.036 0.000 0.900 90 T CB -0.480 68.376 68.868 -0.020 0.000 1.098 90 T HN 0.737 nan 8.240 nan 0.000 0.543 91 H N -0.381 118.649 119.070 -0.066 0.000 2.928 91 H HA 0.613 5.115 4.556 -0.089 0.000 0.371 91 H C -1.484 173.822 175.328 -0.038 0.000 1.186 91 H CA -1.379 54.596 56.048 -0.123 0.000 1.134 91 H CB 1.198 30.810 29.762 -0.250 0.000 1.824 91 H HN 0.241 nan 8.280 nan 0.000 0.554 92 Y N -0.423 119.722 120.300 -0.258 0.000 2.790 92 Y HA 0.682 5.179 4.550 -0.089 0.000 0.323 92 Y C -1.665 174.004 175.900 -0.385 0.000 1.230 92 Y CA -1.590 56.269 58.100 -0.403 0.000 1.121 92 Y CB 0.945 39.303 38.460 -0.171 0.000 1.328 92 Y HN 0.455 nan 8.280 nan 0.000 0.514 93 Y N 0.425 120.841 120.300 0.192 0.000 2.376 93 Y HA 0.743 5.240 4.550 -0.089 0.000 0.340 93 Y C -0.081 175.954 175.900 0.226 0.000 0.965 93 Y CA -1.393 56.794 58.100 0.146 0.000 1.078 93 Y CB 1.949 40.428 38.460 0.033 0.000 1.193 93 Y HN 0.871 nan 8.280 nan 0.000 0.452 94 A N 3.009 126.073 122.820 0.407 0.000 2.320 94 A HA 0.706 4.973 4.320 -0.089 0.000 0.287 94 A C -0.488 177.282 177.584 0.311 0.000 1.181 94 A CA -0.513 51.728 52.037 0.340 0.000 0.831 94 A CB -0.134 19.040 19.000 0.289 0.000 1.102 94 A HN 0.704 nan 8.150 nan 0.000 0.513 95 V N -0.328 119.738 119.914 0.253 0.000 2.823 95 V HA 0.851 4.918 4.120 -0.089 0.000 0.312 95 V C 0.241 176.470 176.094 0.225 0.000 1.072 95 V CA -0.591 61.843 62.300 0.222 0.000 0.937 95 V CB 1.477 33.386 31.823 0.144 0.000 1.013 95 V HN 1.352 nan 8.190 nan 0.000 0.430 96 A N 3.272 126.222 122.820 0.216 0.000 2.798 96 A HA 0.668 4.935 4.320 -0.089 0.000 0.316 96 A C -0.090 177.535 177.584 0.068 0.000 1.506 96 A CA -0.392 51.754 52.037 0.182 0.000 1.162 96 A CB -0.391 18.756 19.000 0.245 0.000 1.138 96 A HN 1.052 nan 8.150 nan 0.000 0.532 97 V N 3.692 123.609 119.914 0.006 0.000 2.488 97 V HA 0.402 4.469 4.120 -0.089 0.000 0.277 97 V C 0.498 176.598 176.094 0.010 0.000 1.046 97 V CA -0.040 62.267 62.300 0.011 0.000 0.986 97 V CB 0.576 32.400 31.823 0.001 0.000 0.989 97 V HN 0.713 nan 8.190 nan 0.000 0.475 98 V N 2.332 122.271 119.914 0.042 0.000 3.156 98 V HA 0.676 4.743 4.120 -0.089 0.000 0.311 98 V C -0.383 175.726 176.094 0.026 0.000 1.208 98 V CA -1.464 60.840 62.300 0.007 0.000 1.063 98 V CB 1.834 33.590 31.823 -0.111 0.000 1.098 98 V HN 0.637 nan 8.190 nan 0.000 0.452 99 K N 0.475 120.819 120.400 -0.093 0.000 2.090 99 K HA 0.443 4.709 4.320 -0.089 0.000 0.250 99 K C -0.237 176.225 176.600 -0.231 0.000 1.004 99 K CA -0.676 55.493 56.287 -0.198 0.000 0.919 99 K CB 0.643 33.003 32.500 -0.232 0.000 1.045 99 K HN 0.556 nan 8.250 nan 0.000 0.471 100 K N 0.689 120.940 120.400 -0.248 0.000 2.218 100 K HA 0.188 4.454 4.320 -0.089 0.000 0.276 100 K C -0.186 176.298 176.600 -0.193 0.000 1.022 100 K CA 0.227 56.396 56.287 -0.197 0.000 0.946 100 K CB 1.160 33.554 32.500 -0.176 0.000 1.000 100 K HN 0.858 nan 8.250 nan 0.000 0.468 101 G N 1.734 110.430 108.800 -0.175 0.000 2.587 101 G HA2 -0.196 3.710 3.960 -0.089 0.000 0.274 101 G HA3 -0.196 3.710 3.960 -0.089 0.000 0.274 101 G C -0.685 174.106 174.900 -0.181 0.000 1.046 101 G CA -0.187 44.823 45.100 -0.151 0.000 1.308 101 G HN 0.401 nan 8.290 nan 0.000 0.529 102 S N 0.068 115.631 115.700 -0.227 0.000 2.550 102 S HA 0.283 4.700 4.470 -0.089 0.000 0.274 102 S C -0.143 174.285 174.600 -0.286 0.000 1.110 102 S CA -0.911 57.108 58.200 -0.302 0.000 1.013 102 S CB 0.757 63.585 63.200 -0.619 0.000 1.152 102 S HN 0.618 nan 8.310 nan 0.000 0.450 103 N N 2.669 121.301 118.700 -0.113 0.000 3.259 103 N HA 0.381 5.068 4.740 -0.089 0.000 0.308 103 N C -0.627 174.922 175.510 0.064 0.000 1.334 103 N CA -0.210 52.813 53.050 -0.044 0.000 1.202 103 N CB -0.231 38.250 38.487 -0.010 0.000 1.485 103 N HN 0.521 nan 8.380 nan 0.000 0.549 104 F N -1.874 118.066 119.950 -0.016 0.000 2.576 104 F HA 0.703 5.176 4.527 -0.089 0.000 0.313 104 F C -0.498 175.301 175.800 -0.001 0.000 1.078 104 F CA -1.300 56.694 58.000 -0.011 0.000 0.921 104 F CB 1.265 40.257 39.000 -0.013 0.000 1.232 104 F HN -0.184 nan 8.300 nan 0.000 0.459 105 Q N 1.367 121.413 119.800 0.411 0.000 2.934 105 Q HA 0.449 4.736 4.340 -0.089 0.000 0.219 105 Q C 0.641 176.809 176.000 0.279 0.000 1.024 105 Q CA -0.605 55.360 55.803 0.271 0.000 0.928 105 Q CB 0.827 29.643 28.738 0.130 0.000 1.594 105 Q HN 0.897 nan 8.270 nan 0.000 0.485 106 L N 1.349 122.680 121.223 0.181 0.000 2.270 106 L HA -0.028 4.258 4.340 -0.089 0.000 0.210 106 L C 0.795 177.711 176.870 0.076 0.000 1.104 106 L CA 1.591 56.540 54.840 0.182 0.000 0.804 106 L CB -0.236 41.940 42.059 0.196 0.000 0.937 106 L HN 0.614 nan 8.230 nan 0.000 0.450 107 D N -1.872 118.506 120.400 -0.035 0.000 2.328 107 D HA -0.083 4.504 4.640 -0.089 0.000 0.226 107 D C 1.106 177.249 176.300 -0.260 0.000 1.066 107 D CA 0.302 54.111 54.000 -0.319 0.000 0.861 107 D CB -0.087 40.557 40.800 -0.260 0.000 0.912 107 D HN 0.317 nan 8.370 nan 0.000 0.521 108 Q N -0.235 119.501 119.800 -0.106 0.000 2.186 108 Q HA 0.383 4.669 4.340 -0.089 0.000 0.241 108 Q C 1.205 177.094 176.000 -0.186 0.000 0.849 108 Q CA -0.070 55.667 55.803 -0.109 0.000 1.053 108 Q CB 0.589 29.315 28.738 -0.020 0.000 1.146 108 Q HN 0.202 nan 8.270 nan 0.000 0.475 109 L N 0.076 121.228 121.223 -0.117 0.000 2.554 109 L HA 0.061 4.347 4.340 -0.089 0.000 0.226 109 L C 0.886 177.587 176.870 -0.281 0.000 1.137 109 L CA 0.213 55.001 54.840 -0.088 0.000 0.863 109 L CB 0.230 42.466 42.059 0.295 0.000 0.985 109 L HN 0.362 nan 8.230 nan 0.000 0.451 110 Q N 0.220 119.769 119.800 -0.418 0.000 2.361 110 Q HA 0.131 4.417 4.340 -0.089 0.000 0.276 110 Q C 1.038 176.730 176.000 -0.514 0.000 1.022 110 Q CA 0.839 56.136 55.803 -0.844 0.000 0.898 110 Q CB 0.638 29.133 28.738 -0.406 0.000 1.246 110 Q HN 0.291 nan 8.270 nan 0.000 0.410 111 G N 3.059 111.546 108.800 -0.522 0.000 2.341 111 G HA2 -0.308 3.598 3.960 -0.089 0.000 0.292 111 G HA3 -0.308 3.598 3.960 -0.089 0.000 0.292 111 G C -0.359 174.478 174.900 -0.104 0.000 1.021 111 G CA 0.758 45.730 45.100 -0.212 0.000 0.905 111 G HN 0.605 nan 8.290 nan 0.000 0.508 112 R N -0.657 119.819 120.500 -0.039 0.000 2.919 112 R HA 0.414 4.701 4.340 -0.089 0.000 0.260 112 R C 0.002 176.304 176.300 0.004 0.000 1.067 112 R CA -0.900 55.167 56.100 -0.055 0.000 1.003 112 R CB 0.979 31.155 30.300 -0.207 0.000 1.192 112 R HN 0.359 nan 8.270 nan 0.000 0.488 113 N N 0.739 119.400 118.700 -0.064 0.000 2.434 113 N HA 0.160 4.847 4.740 -0.089 0.000 0.272 113 N C -0.726 174.643 175.510 -0.235 0.000 1.040 113 N CA -0.329 52.669 53.050 -0.087 0.000 0.956 113 N CB 1.577 40.043 38.487 -0.034 0.000 1.108 113 N HN 0.510 nan 8.380 nan 0.000 0.481 114 S N 0.718 116.192 115.700 -0.376 0.000 2.638 114 S HA 0.610 5.027 4.470 -0.089 0.000 0.302 114 S C -0.752 173.701 174.600 -0.245 0.000 1.096 114 S CA -0.684 57.214 58.200 -0.504 0.000 0.953 114 S CB 1.369 63.969 63.200 -0.999 0.000 1.107 114 S HN 0.628 nan 8.310 nan 0.000 0.503 115 c N 2.165 120.567 118.600 -0.329 0.000 2.346 115 c HA 0.688 5.204 4.570 -0.089 0.000 0.326 115 c C -0.793 173.244 174.090 -0.088 0.000 1.224 115 c CA -0.606 55.653 56.329 -0.116 0.000 1.408 115 c CB -0.628 41.785 42.510 -0.162 0.000 2.089 115 c HN 0.989 nan 8.230 nan 0.000 0.456 116 H N 0.191 119.413 119.070 0.253 0.000 2.492 116 H HA 0.409 4.912 4.556 -0.089 0.000 0.345 116 H C 1.443 176.903 175.328 0.221 0.000 1.136 116 H CA -0.036 56.223 56.048 0.351 0.000 1.202 116 H CB 1.249 31.298 29.762 0.479 0.000 1.524 116 H HN 0.673 nan 8.280 nan 0.000 0.506 117 T N -0.082 114.647 114.554 0.291 0.000 2.652 117 T HA 0.073 4.369 4.350 -0.089 0.000 0.267 117 T C 1.044 175.818 174.700 0.123 0.000 1.039 117 T CA 0.928 63.084 62.100 0.094 0.000 1.153 117 T CB -0.260 68.599 68.868 -0.015 0.000 0.863 117 T HN 0.769 nan 8.240 nan 0.000 0.428 118 G N 0.260 109.176 108.800 0.194 0.000 2.547 118 G HA2 0.485 4.392 3.960 -0.089 0.000 0.291 118 G HA3 0.485 4.392 3.960 -0.089 0.000 0.291 118 G C -1.818 173.102 174.900 0.033 0.000 1.471 118 G CA -1.011 44.203 45.100 0.190 0.000 0.798 118 G HN 0.365 nan 8.290 nan 0.000 0.504 119 L N 1.279 122.407 121.223 -0.159 0.000 2.490 119 L HA 0.485 4.772 4.340 -0.089 0.000 0.274 119 L C 1.769 178.522 176.870 -0.196 0.000 1.201 119 L CA 2.263 56.835 54.840 -0.446 0.000 0.869 119 L CB 0.692 42.471 42.059 -0.467 0.000 1.123 119 L HN 2.050 nan 8.230 nan 0.000 0.484 120 G N 3.678 112.384 108.800 -0.157 0.000 2.507 120 G HA2 -0.347 3.559 3.960 -0.089 0.000 0.240 120 G HA3 -0.347 3.559 3.960 -0.089 0.000 0.240 120 G C 0.914 175.935 174.900 0.201 0.000 1.119 120 G CA 0.474 45.638 45.100 0.107 0.000 0.664 120 G HN 0.650 nan 8.290 nan 0.000 0.516 121 R N 1.275 121.884 120.500 0.180 0.000 2.802 121 R HA 0.332 4.618 4.340 -0.089 0.000 0.264 121 R C 1.905 178.375 176.300 0.284 0.000 0.996 121 R CA 0.550 56.771 56.100 0.202 0.000 1.123 121 R CB 0.262 30.651 30.300 0.148 0.000 0.996 121 R HN 0.462 nan 8.270 nan 0.000 0.444 122 S N 1.569 117.452 115.700 0.305 0.000 2.396 122 S HA -0.194 4.222 4.470 -0.089 0.000 0.204 122 S C 1.979 176.764 174.600 0.308 0.000 1.060 122 S CA 0.853 59.255 58.200 0.336 0.000 1.098 122 S CB -0.633 62.737 63.200 0.284 0.000 1.022 122 S HN 0.764 nan 8.310 nan 0.000 0.413 123 A N 1.488 124.534 122.820 0.377 0.000 1.978 123 A HA 0.047 4.314 4.320 -0.089 0.000 0.220 123 A C 2.251 180.037 177.584 0.337 0.000 1.170 123 A CA 1.841 54.103 52.037 0.375 0.000 0.636 123 A CB -1.486 17.832 19.000 0.530 0.000 0.810 123 A HN 0.609 nan 8.150 nan 0.000 0.448 124 G N -3.024 105.989 108.800 0.356 0.000 2.551 124 G HA2 -0.020 3.886 3.960 -0.089 0.000 0.216 124 G HA3 -0.020 3.886 3.960 -0.089 0.000 0.216 124 G C 1.258 176.454 174.900 0.494 0.000 1.137 124 G CA 0.965 46.297 45.100 0.387 0.000 0.798 124 G HN 0.695 nan 8.290 nan 0.000 0.536 125 W N -0.481 120.922 121.300 0.173 0.000 4.634 125 W HA 0.121 4.727 4.660 -0.090 0.000 0.188 125 W C 1.278 177.798 176.519 0.001 0.000 1.087 125 W CA 0.081 57.494 57.345 0.114 0.000 1.788 125 W CB -0.285 29.206 29.460 0.051 0.000 0.651 125 W HN -0.011 nan 8.180 nan 0.000 0.982 126 N N 2.316 121.091 118.700 0.125 0.000 2.000 126 N HA -0.216 4.471 4.740 -0.089 0.000 0.197 126 N C 1.747 177.167 175.510 -0.150 0.000 1.076 126 N CA 2.654 55.689 53.050 -0.025 0.000 0.869 126 N CB -1.054 37.524 38.487 0.151 0.000 1.068 126 N HN 0.004 nan 8.380 nan 0.000 0.426 127 I N 1.785 122.357 120.570 0.003 0.000 2.143 127 I HA -0.251 3.866 4.170 -0.089 0.000 0.245 127 I C -0.687 175.339 176.117 -0.152 0.000 1.068 127 I CA 1.758 63.048 61.300 -0.016 0.000 1.326 127 I CB -2.768 35.280 38.000 0.080 0.000 1.028 127 I HN 0.214 nan 8.210 nan 0.000 0.412 128 P HA -0.173 nan 4.420 nan 0.000 0.214 128 P C 2.025 179.048 177.300 -0.462 0.000 1.163 128 P CA 1.596 64.403 63.100 -0.488 0.000 0.889 128 P CB -0.151 30.860 31.700 -1.149 0.000 0.790 129 M N -0.638 118.592 119.600 -0.616 0.000 2.279 129 M HA 0.012 4.438 4.480 -0.089 0.000 0.264 129 M C 2.005 178.035 176.300 -0.450 0.000 1.062 129 M CA 1.634 56.529 55.300 -0.674 0.000 1.099 129 M CB -1.481 30.476 32.600 -1.071 0.000 1.394 129 M HN -0.070 nan 8.290 nan 0.000 0.426 130 G N -0.387 108.217 108.800 -0.328 0.000 2.421 130 G HA2 -0.103 3.804 3.960 -0.089 0.000 0.217 130 G HA3 -0.103 3.804 3.960 -0.089 0.000 0.217 130 G C 1.382 176.167 174.900 -0.193 0.000 1.143 130 G CA 0.395 45.365 45.100 -0.218 0.000 0.784 130 G HN 0.343 nan 8.290 nan 0.000 0.541 131 I N 1.199 121.664 120.570 -0.175 0.000 2.202 131 I HA -0.037 4.079 4.170 -0.089 0.000 0.242 131 I C 2.726 178.734 176.117 -0.182 0.000 1.091 131 I CA 0.834 62.062 61.300 -0.121 0.000 1.368 131 I CB -1.084 36.892 38.000 -0.041 0.000 1.058 131 I HN 0.165 nan 8.210 nan 0.000 0.410 132 L N -0.576 120.514 121.223 -0.222 0.000 2.291 132 L HA -0.076 4.210 4.340 -0.089 0.000 0.214 132 L C 2.516 179.088 176.870 -0.497 0.000 1.120 132 L CA 0.411 55.077 54.840 -0.291 0.000 0.799 132 L CB -0.717 41.155 42.059 -0.312 0.000 0.925 132 L HN 0.206 nan 8.230 nan 0.000 0.446 133 R N 0.549 120.803 120.500 -0.409 0.000 2.288 133 R HA -0.279 4.008 4.340 -0.089 0.000 0.239 133 R C -0.178 175.917 176.300 -0.341 0.000 1.109 133 R CA 2.976 58.878 56.100 -0.330 0.000 0.896 133 R CB -1.845 28.331 30.300 -0.206 0.000 0.967 133 R HN 0.268 nan 8.270 nan 0.000 0.420 134 P HA -0.186 nan 4.420 nan 0.000 0.216 134 P C 0.266 177.387 177.300 -0.299 0.000 1.167 134 P CA 1.682 64.544 63.100 -0.398 0.000 0.914 134 P CB -0.280 31.081 31.700 -0.566 0.000 0.793 135 Y N -1.545 118.679 120.300 -0.127 0.000 2.885 135 Y HA 0.234 4.731 4.550 -0.089 0.000 0.380 135 Y C 1.485 177.212 175.900 -0.288 0.000 1.064 135 Y CA -0.168 57.868 58.100 -0.105 0.000 1.676 135 Y CB -1.256 37.199 38.460 -0.009 0.000 1.633 135 Y HN -0.070 nan 8.280 nan 0.000 0.473 136 L N -0.701 120.414 121.223 -0.179 0.000 2.749 136 L HA 0.206 4.492 4.340 -0.089 0.000 0.242 136 L C 0.857 177.722 176.870 -0.007 0.000 1.103 136 L CA 0.254 54.950 54.840 -0.241 0.000 0.906 136 L CB 0.115 41.980 42.059 -0.325 0.000 1.228 136 L HN 0.147 nan 8.230 nan 0.000 0.517 137 S N 0.263 115.999 115.700 0.060 0.000 3.524 137 S HA -0.225 4.192 4.470 -0.089 0.000 0.377 137 S C -0.456 174.255 174.600 0.185 0.000 0.949 137 S CA 0.544 58.809 58.200 0.109 0.000 1.264 137 S CB -1.555 61.709 63.200 0.108 0.000 0.918 137 S HN 0.429 nan 8.310 nan 0.000 0.517 138 W N 2.319 123.594 121.300 -0.042 0.000 2.361 138 W HA 0.535 5.142 4.660 -0.090 0.000 0.309 138 W C -0.223 176.284 176.519 -0.020 0.000 1.122 138 W CA -0.985 56.340 57.345 -0.033 0.000 1.208 138 W CB 0.763 30.185 29.460 -0.064 0.000 1.246 138 W HN 0.137 nan 8.180 nan 0.000 0.490 139 T N 6.636 121.215 114.554 0.043 0.000 3.149 139 T HA 0.045 4.341 4.350 -0.089 0.000 0.373 139 T C 1.187 175.648 174.700 -0.399 0.000 1.364 139 T CA -0.479 61.529 62.100 -0.153 0.000 1.110 139 T CB 0.530 69.387 68.868 -0.017 0.000 1.127 139 T HN 0.486 nan 8.240 nan 0.000 0.576 140 E N 1.054 120.739 120.200 -0.859 0.000 2.253 140 E HA -0.190 4.107 4.350 -0.089 0.000 0.202 140 E C 1.424 177.803 176.600 -0.368 0.000 1.014 140 E CA 1.196 57.018 56.400 -0.963 0.000 0.823 140 E CB -0.283 28.860 29.700 -0.927 0.000 0.736 140 E HN 0.459 nan 8.360 nan 0.000 0.478 141 S N 0.419 115.980 115.700 -0.232 0.000 2.470 141 S HA 0.103 4.520 4.470 -0.089 0.000 0.222 141 S C 1.786 176.364 174.600 -0.037 0.000 1.024 141 S CA -0.051 58.085 58.200 -0.107 0.000 0.931 141 S CB 0.072 63.216 63.200 -0.093 0.000 0.791 141 S HN 0.198 nan 8.310 nan 0.000 0.513 142 L N 1.614 122.823 121.223 -0.023 0.000 2.270 142 L HA 0.176 4.462 4.340 -0.089 0.000 0.210 142 L C 0.406 177.332 176.870 0.095 0.000 1.104 142 L CA 0.811 55.672 54.840 0.034 0.000 0.804 142 L CB 0.141 42.223 42.059 0.038 0.000 0.937 142 L HN 0.314 nan 8.230 nan 0.000 0.450 143 E N -1.960 118.332 120.200 0.153 0.000 2.396 143 E HA 0.353 4.649 4.350 -0.089 0.000 0.280 143 E C -2.912 173.968 176.600 0.466 0.000 1.065 143 E CA -1.829 54.732 56.400 0.270 0.000 0.831 143 E CB 0.915 30.786 29.700 0.284 0.000 1.272 143 E HN -0.271 nan 8.360 nan 0.000 0.443 144 P HA 0.055 nan 4.420 nan 0.000 0.296 144 P C 0.617 178.095 177.300 0.297 0.000 1.295 144 P CA -0.503 62.848 63.100 0.418 0.000 0.754 144 P CB 0.706 32.536 31.700 0.217 0.000 1.311 145 L N -0.374 120.786 121.223 -0.106 0.000 2.102 145 L HA -0.047 4.239 4.340 -0.089 0.000 0.202 145 L C 2.440 179.097 176.870 -0.354 0.000 1.076 145 L CA 1.781 56.206 54.840 -0.692 0.000 0.761 145 L CB -1.534 40.151 42.059 -0.624 0.000 0.921 145 L HN 0.114 nan 8.230 nan 0.000 0.444 146 Q N -0.109 119.523 119.800 -0.280 0.000 2.325 146 Q HA -0.146 4.140 4.340 -0.089 0.000 0.211 146 Q C 1.990 177.641 176.000 -0.581 0.000 0.988 146 Q CA 1.543 57.044 55.803 -0.503 0.000 0.887 146 Q CB -0.838 27.375 28.738 -0.876 0.000 0.915 146 Q HN 0.647 nan 8.270 nan 0.000 0.440 147 G N 0.387 109.060 108.800 -0.212 0.000 2.556 147 G HA2 -0.176 3.730 3.960 -0.089 0.000 0.215 147 G HA3 -0.176 3.730 3.960 -0.089 0.000 0.215 147 G C 1.442 176.442 174.900 0.166 0.000 1.258 147 G CA 0.725 46.024 45.100 0.331 0.000 0.811 147 G HN 0.454 nan 8.290 nan 0.000 0.557 148 A N -0.252 122.570 122.820 0.004 0.000 2.019 148 A HA 0.103 4.370 4.320 -0.089 0.000 0.219 148 A C 2.554 180.113 177.584 -0.042 0.000 1.164 148 A CA 1.843 53.869 52.037 -0.018 0.000 0.644 148 A CB -0.494 18.433 19.000 -0.120 0.000 0.805 148 A HN 0.294 nan 8.150 nan 0.000 0.449 149 V N -0.212 119.638 119.914 -0.108 0.000 2.427 149 V HA -0.223 3.844 4.120 -0.089 0.000 0.248 149 V C 3.013 179.187 176.094 0.134 0.000 1.051 149 V CA 1.685 63.961 62.300 -0.039 0.000 1.048 149 V CB -1.322 30.549 31.823 0.079 0.000 0.666 149 V HN 0.607 nan 8.190 nan 0.000 0.456 150 A N 1.425 124.342 122.820 0.161 0.000 1.873 150 A HA -0.274 3.992 4.320 -0.089 0.000 0.218 150 A C 2.259 179.968 177.584 0.207 0.000 1.193 150 A CA 2.366 54.550 52.037 0.245 0.000 0.629 150 A CB -0.456 18.776 19.000 0.386 0.000 0.826 150 A HN 0.688 nan 8.150 nan 0.000 0.447 151 K N -1.878 118.624 120.400 0.170 0.000 2.296 151 K HA 0.005 4.271 4.320 -0.089 0.000 0.200 151 K C 1.790 178.454 176.600 0.106 0.000 1.048 151 K CA 1.158 57.523 56.287 0.130 0.000 0.966 151 K CB -0.365 32.206 32.500 0.119 0.000 0.754 151 K HN 0.374 nan 8.250 nan 0.000 0.466 152 F N 1.844 121.738 119.950 -0.092 0.000 2.102 152 F HA 0.008 4.482 4.527 -0.089 0.000 0.298 152 F C 0.500 176.164 175.800 -0.227 0.000 1.105 152 F CA 0.753 58.611 58.000 -0.238 0.000 1.239 152 F CB 0.043 38.755 39.000 -0.480 0.000 0.991 152 F HN -0.218 nan 8.300 nan 0.000 0.474 153 F N -0.033 119.967 119.950 0.084 0.000 2.378 153 F HA 0.252 4.725 4.527 -0.089 0.000 0.325 153 F C 1.708 177.510 175.800 0.003 0.000 1.097 153 F CA -0.758 57.238 58.000 -0.007 0.000 1.079 153 F CB 0.795 39.901 39.000 0.177 0.000 1.240 153 F HN -0.239 nan 8.300 nan 0.000 0.519 154 S N 0.324 116.146 115.700 0.203 0.000 2.446 154 S HA 0.484 4.901 4.470 -0.089 0.000 0.225 154 S C 0.379 175.061 174.600 0.137 0.000 1.016 154 S CA 0.450 58.717 58.200 0.112 0.000 0.943 154 S CB -0.029 63.203 63.200 0.053 0.000 0.786 154 S HN 0.770 nan 8.310 nan 0.000 0.508 155 A N 0.731 123.655 122.820 0.174 0.000 2.590 155 A HA 0.581 4.847 4.320 -0.089 0.000 0.309 155 A C -1.199 176.468 177.584 0.138 0.000 1.039 155 A CA -0.774 51.355 52.037 0.154 0.000 0.824 155 A CB 0.405 19.466 19.000 0.103 0.000 1.247 155 A HN 0.355 nan 8.150 nan 0.000 0.394 156 S N 0.350 116.155 115.700 0.174 0.000 2.603 156 S HA 0.476 4.892 4.470 -0.089 0.000 0.274 156 S C -0.496 174.231 174.600 0.211 0.000 1.168 156 S CA -0.460 57.838 58.200 0.165 0.000 0.963 156 S CB 0.821 64.141 63.200 0.200 0.000 1.078 156 S HN 1.953 nan 8.310 nan 0.000 0.477 157 c N 3.674 122.399 118.600 0.209 0.000 2.624 157 c HA 0.569 5.085 4.570 -0.089 0.000 0.397 157 c C 0.148 174.388 174.090 0.249 0.000 1.331 157 c CA 0.244 56.706 56.329 0.222 0.000 1.716 157 c CB -1.639 41.050 42.510 0.299 0.000 2.452 157 c HN 0.704 nan 8.230 nan 0.000 0.586 158 V N 10.294 130.302 119.914 0.157 0.000 2.383 158 V HA 0.306 4.372 4.120 -0.089 0.000 0.264 158 V C -1.887 174.201 176.094 -0.009 0.000 1.001 158 V CA -1.088 61.257 62.300 0.074 0.000 0.828 158 V CB 1.106 32.854 31.823 -0.125 0.000 1.069 158 V HN 0.792 nan 8.190 nan 0.000 0.451 159 P HA 0.027 nan 4.420 nan 0.000 0.267 159 P C 0.754 177.998 177.300 -0.094 0.000 1.195 159 P CA 0.470 63.588 63.100 0.030 0.000 0.773 159 P CB 0.547 32.358 31.700 0.185 0.000 0.837 160 c N -1.379 117.121 118.600 -0.166 0.000 5.716 160 c HA -0.146 4.370 4.570 -0.089 0.000 0.276 160 c C 1.266 175.231 174.090 -0.207 0.000 1.974 160 c CA 0.170 56.361 56.329 -0.230 0.000 1.737 160 c CB -2.632 39.735 42.510 -0.237 0.000 2.710 160 c HN 0.448 nan 8.230 nan 0.000 0.494 161 V N 1.325 121.123 119.914 -0.193 0.000 3.385 161 V HA 0.329 4.396 4.120 -0.089 0.000 0.301 161 V C 0.397 176.451 176.094 -0.067 0.000 1.082 161 V CA 1.112 63.306 62.300 -0.176 0.000 1.085 161 V CB 1.157 32.863 31.823 -0.195 0.000 1.152 161 V HN 0.513 nan 8.190 nan 0.000 0.465 162 D N 0.427 120.833 120.400 0.010 0.000 2.485 162 D HA 0.233 4.820 4.640 -0.089 0.000 0.229 162 D C 1.465 177.840 176.300 0.125 0.000 1.101 162 D CA -0.570 53.469 54.000 0.065 0.000 0.906 162 D CB 0.569 41.423 40.800 0.090 0.000 1.019 162 D HN 0.495 nan 8.370 nan 0.000 0.516 163 R N 2.935 123.483 120.500 0.080 0.000 2.154 163 R HA -0.334 3.953 4.340 -0.089 0.000 0.248 163 R C 1.553 177.896 176.300 0.072 0.000 1.155 163 R CA 1.528 57.681 56.100 0.089 0.000 0.979 163 R CB -0.522 29.811 30.300 0.054 0.000 0.869 163 R HN 0.496 nan 8.270 nan 0.000 0.452 164 Q N 0.979 120.809 119.800 0.050 0.000 2.047 164 Q HA -0.234 4.052 4.340 -0.089 0.000 0.211 164 Q C 2.175 178.153 176.000 -0.036 0.000 1.005 164 Q CA 3.194 59.005 55.803 0.014 0.000 0.866 164 Q CB -0.395 28.354 28.738 0.018 0.000 0.938 164 Q HN 0.554 nan 8.270 nan 0.000 0.414 165 A N -1.559 121.223 122.820 -0.064 0.000 1.935 165 A HA 0.029 4.296 4.320 -0.089 0.000 0.214 165 A C -0.070 177.179 177.584 -0.559 0.000 1.178 165 A CA 0.822 52.641 52.037 -0.363 0.000 0.640 165 A CB 0.001 18.702 19.000 -0.497 0.000 0.825 165 A HN 0.453 nan 8.150 nan 0.000 0.447 166 Y N -1.163 119.151 120.300 0.023 0.000 2.646 166 Y HA 0.400 4.897 4.550 -0.089 0.000 0.334 166 Y C -2.312 173.607 175.900 0.032 0.000 1.004 166 Y CA -2.699 55.421 58.100 0.033 0.000 1.301 166 Y CB 1.017 39.497 38.460 0.033 0.000 1.093 166 Y HN 0.152 nan 8.280 nan 0.000 0.530 167 P HA -0.038 nan 4.420 nan 0.000 0.234 167 P C 0.972 178.335 177.300 0.105 0.000 1.175 167 P CA 0.908 64.066 63.100 0.096 0.000 0.801 167 P CB 0.459 32.191 31.700 0.055 0.000 0.891 168 N N -0.045 118.729 118.700 0.125 0.000 2.520 168 N HA -0.097 4.589 4.740 -0.089 0.000 0.185 168 N C 1.270 176.871 175.510 0.152 0.000 1.068 168 N CA 0.925 54.051 53.050 0.127 0.000 0.911 168 N CB -1.170 37.398 38.487 0.135 0.000 0.961 168 N HN 0.052 nan 8.380 nan 0.000 0.446 169 L N 1.056 122.377 121.223 0.164 0.000 2.013 169 L HA 0.044 4.330 4.340 -0.089 0.000 0.204 169 L C 2.289 179.235 176.870 0.126 0.000 1.081 169 L CA 0.768 55.705 54.840 0.160 0.000 0.751 169 L CB -1.449 40.684 42.059 0.124 0.000 0.901 169 L HN 0.205 nan 8.230 nan 0.000 0.440 170 c N -0.202 118.456 118.600 0.096 0.000 2.443 170 c HA -0.128 4.388 4.570 -0.089 0.000 0.290 170 c C 2.699 176.835 174.090 0.078 0.000 1.476 170 c CA 0.079 56.455 56.329 0.077 0.000 1.772 170 c CB -1.169 41.371 42.510 0.050 0.000 1.714 170 c HN 0.559 nan 8.230 nan 0.000 0.562 171 Q N 0.811 120.663 119.800 0.088 0.000 1.998 171 Q HA -0.219 4.067 4.340 -0.089 0.000 0.209 171 Q C 2.111 178.159 176.000 0.079 0.000 1.002 171 Q CA 1.674 57.522 55.803 0.076 0.000 0.858 171 Q CB -0.243 28.544 28.738 0.082 0.000 0.932 171 Q HN 0.649 nan 8.270 nan 0.000 0.416 172 L N 0.449 121.737 121.223 0.108 0.000 2.353 172 L HA -0.106 4.181 4.340 -0.089 0.000 0.220 172 L C 1.088 178.059 176.870 0.167 0.000 1.133 172 L CA -0.256 54.668 54.840 0.140 0.000 0.798 172 L CB -0.284 41.869 42.059 0.158 0.000 0.922 172 L HN 0.339 nan 8.230 nan 0.000 0.445 173 c N 1.608 120.284 118.600 0.126 0.000 2.517 173 c HA -0.022 4.495 4.570 -0.089 0.000 0.403 173 c C 1.488 175.506 174.090 -0.119 0.000 1.467 173 c CA -0.347 56.023 56.329 0.070 0.000 1.542 173 c CB -0.501 42.046 42.510 0.062 0.000 2.482 173 c HN 0.254 nan 8.230 nan 0.000 0.610 174 K N 1.880 122.002 120.400 -0.463 0.000 2.332 174 K HA 0.430 4.696 4.320 -0.089 0.000 0.246 174 K C 0.731 177.164 176.600 -0.278 0.000 1.066 174 K CA 0.873 56.820 56.287 -0.566 0.000 0.898 174 K CB 0.195 31.964 32.500 -1.220 0.000 1.192 174 K HN 1.083 nan 8.250 nan 0.000 0.509 175 G N 1.454 110.127 108.800 -0.212 0.000 2.825 175 G HA2 -0.214 3.692 3.960 -0.089 0.000 0.686 175 G HA3 -0.214 3.692 3.960 -0.089 0.000 0.686 175 G C -0.827 174.029 174.900 -0.072 0.000 1.362 175 G CA -0.117 44.918 45.100 -0.108 0.000 0.975 175 G HN 0.559 nan 8.290 nan 0.000 0.594 176 E N 0.399 120.572 120.200 -0.045 0.000 2.961 176 E HA 0.753 5.049 4.350 -0.089 0.000 0.254 176 E C 1.068 177.657 176.600 -0.018 0.000 1.192 176 E CA 0.127 56.510 56.400 -0.029 0.000 1.069 176 E CB 0.283 29.970 29.700 -0.022 0.000 1.338 176 E HN 2.239 nan 8.360 nan 0.000 0.596 177 G N 0.282 109.075 108.800 -0.012 0.000 2.901 177 G HA2 -0.297 3.610 3.960 -0.089 0.000 0.654 177 G HA3 -0.297 3.610 3.960 -0.089 0.000 0.654 177 G C 0.221 175.118 174.900 -0.004 0.000 1.550 177 G CA 0.110 45.206 45.100 -0.006 0.000 0.978 177 G HN 0.496 nan 8.290 nan 0.000 0.566 178 E N -0.050 120.150 120.200 0.001 0.000 2.396 178 E HA -0.115 4.181 4.350 -0.089 0.000 0.200 178 E C 2.315 178.918 176.600 0.006 0.000 1.023 178 E CA 1.090 57.493 56.400 0.005 0.000 0.857 178 E CB -0.142 29.563 29.700 0.010 0.000 0.775 178 E HN 0.552 nan 8.360 nan 0.000 0.525 179 N N 0.730 119.432 118.700 0.003 0.000 2.272 179 N HA -0.191 4.495 4.740 -0.089 0.000 0.185 179 N C 0.880 176.385 175.510 -0.008 0.000 1.014 179 N CA 0.242 53.294 53.050 0.003 0.000 0.870 179 N CB 0.024 38.511 38.487 0.000 0.000 0.975 179 N HN 0.319 nan 8.380 nan 0.000 0.433 180 Q N 0.780 120.573 119.800 -0.013 0.000 2.540 180 Q HA -0.106 4.180 4.340 -0.089 0.000 0.256 180 Q C 0.433 176.424 176.000 -0.016 0.000 1.084 180 Q CA 0.858 56.648 55.803 -0.021 0.000 0.956 180 Q CB 0.451 29.176 28.738 -0.022 0.000 1.303 180 Q HN 0.415 nan 8.270 nan 0.000 0.509 181 c N 1.499 120.093 118.600 -0.010 0.000 4.268 181 c HA -0.185 4.331 4.570 -0.089 0.000 0.299 181 c C 0.671 174.726 174.090 -0.057 0.000 1.429 181 c CA 0.376 56.701 56.329 -0.006 0.000 2.018 181 c CB -2.285 40.227 42.510 0.003 0.000 1.277 181 c HN 0.841 nan 8.230 nan 0.000 0.767 182 A N -0.487 122.281 122.820 -0.086 0.000 2.259 182 A HA 0.561 4.827 4.320 -0.089 0.000 0.278 182 A C 0.994 178.366 177.584 -0.354 0.000 1.107 182 A CA 0.457 52.389 52.037 -0.175 0.000 0.828 182 A CB 0.255 19.183 19.000 -0.120 0.000 1.111 182 A HN 1.244 nan 8.150 nan 0.000 0.498 183 c N 0.585 118.867 118.600 -0.529 0.000 2.780 183 c HA 0.489 5.005 4.570 -0.089 0.000 0.287 183 c C 0.950 174.463 174.090 -0.962 0.000 1.288 183 c CA 0.401 56.295 56.329 -0.725 0.000 1.713 183 c CB -2.494 39.578 42.510 -0.731 0.000 1.955 183 c HN 0.837 nan 8.230 nan 0.000 0.613 184 S N -0.076 115.101 115.700 -0.871 0.000 2.634 184 S HA 0.530 4.947 4.470 -0.089 0.000 0.296 184 S C -2.052 172.201 174.600 -0.578 0.000 1.104 184 S CA -0.975 56.840 58.200 -0.642 0.000 0.920 184 S CB 1.466 64.583 63.200 -0.138 0.000 1.111 184 S HN -0.005 nan 8.310 nan 0.000 0.493 185 P HA -0.127 nan 4.420 nan 0.000 0.225 185 P C 1.045 178.457 177.300 0.186 0.000 1.141 185 P CA 0.802 64.144 63.100 0.402 0.000 0.774 185 P CB -0.028 31.878 31.700 0.343 0.000 0.760 186 R N 0.039 120.563 120.500 0.040 0.000 2.154 186 R HA -0.105 4.182 4.340 -0.089 0.000 0.248 186 R C 1.371 177.696 176.300 0.041 0.000 1.155 186 R CA 0.962 57.081 56.100 0.031 0.000 0.979 186 R CB -0.424 29.876 30.300 0.000 0.000 0.869 186 R HN 0.201 nan 8.270 nan 0.000 0.452 187 E N -0.266 119.958 120.200 0.041 0.000 2.130 187 E HA 0.076 4.372 4.350 -0.089 0.000 0.284 187 E C -1.989 174.736 176.600 0.208 0.000 1.018 187 E CA -2.254 54.198 56.400 0.086 0.000 0.817 187 E CB 1.438 31.175 29.700 0.062 0.000 1.078 187 E HN -0.042 nan 8.360 nan 0.000 0.396 188 P HA -0.186 nan 4.420 nan 0.000 0.216 188 P C 0.618 178.116 177.300 0.330 0.000 1.154 188 P CA 1.318 64.509 63.100 0.152 0.000 0.865 188 P CB 0.071 31.768 31.700 -0.005 0.000 0.789 189 Y N -2.463 117.912 120.300 0.125 0.000 2.490 189 Y HA 0.187 4.683 4.550 -0.089 0.000 0.281 189 Y C 0.932 176.915 175.900 0.139 0.000 1.174 189 Y CA -1.273 56.892 58.100 0.108 0.000 1.295 189 Y CB -1.451 37.062 38.460 0.088 0.000 1.062 189 Y HN -0.056 nan 8.280 nan 0.000 0.522 190 F N 0.806 120.872 119.950 0.193 0.000 2.412 190 F HA 0.567 5.041 4.527 -0.090 0.000 0.348 190 F C 0.661 176.519 175.800 0.097 0.000 1.102 190 F CA 0.485 58.554 58.000 0.115 0.000 1.196 190 F CB 0.550 39.588 39.000 0.063 0.000 1.144 190 F HN 0.183 nan 8.300 nan 0.000 0.541 191 G N 4.453 112.661 108.800 -0.987 0.000 2.384 191 G HA2 -0.251 3.655 3.960 -0.089 0.000 0.204 191 G HA3 -0.251 3.655 3.960 -0.089 0.000 0.204 191 G C -0.642 174.041 174.900 -0.362 0.000 1.237 191 G CA -0.171 44.353 45.100 -0.960 0.000 1.060 191 G HN 0.626 nan 8.290 nan 0.000 0.514 192 Y N 0.666 120.844 120.300 -0.204 0.000 2.205 192 Y HA 0.165 4.662 4.550 -0.090 0.000 0.292 192 Y C 3.437 179.281 175.900 -0.094 0.000 1.119 192 Y CA 2.240 60.266 58.100 -0.124 0.000 1.117 192 Y CB -0.672 37.699 38.460 -0.148 0.000 1.037 192 Y HN 0.442 nan 8.280 nan 0.000 0.510 193 S N -0.302 115.459 115.700 0.102 0.000 2.355 193 S HA -0.126 4.291 4.470 -0.089 0.000 0.222 193 S C 2.391 177.053 174.600 0.103 0.000 1.031 193 S CA 1.099 59.344 58.200 0.074 0.000 0.993 193 S CB -1.119 62.114 63.200 0.056 0.000 0.859 193 S HN 0.604 nan 8.310 nan 0.000 0.453 194 G N 1.632 110.475 108.800 0.071 0.000 2.550 194 G HA2 -0.216 3.690 3.960 -0.089 0.000 0.222 194 G HA3 -0.216 3.690 3.960 -0.089 0.000 0.222 194 G C 1.437 176.371 174.900 0.057 0.000 1.113 194 G CA 1.131 46.301 45.100 0.118 0.000 0.748 194 G HN 0.615 nan 8.290 nan 0.000 0.585 195 A N -0.526 122.316 122.820 0.036 0.000 2.066 195 A HA 0.285 4.551 4.320 -0.089 0.000 0.218 195 A C 2.041 179.602 177.584 -0.039 0.000 1.157 195 A CA 1.192 53.227 52.037 -0.004 0.000 0.670 195 A CB -0.302 18.734 19.000 0.059 0.000 0.804 195 A HN 0.355 nan 8.150 nan 0.000 0.453 196 F N 0.395 120.245 119.950 -0.166 0.000 2.179 196 F HA 0.077 4.550 4.527 -0.089 0.000 0.292 196 F C 2.054 177.721 175.800 -0.222 0.000 1.089 196 F CA 1.528 59.403 58.000 -0.208 0.000 1.295 196 F CB -0.308 38.569 39.000 -0.204 0.000 1.041 196 F HN 0.125 nan 8.300 nan 0.000 0.487 197 K N -0.336 119.989 120.400 -0.124 0.000 2.077 197 K HA -0.328 3.938 4.320 -0.089 0.000 0.213 197 K C 2.408 178.703 176.600 -0.509 0.000 1.051 197 K CA 1.915 58.085 56.287 -0.195 0.000 0.929 197 K CB -0.918 31.616 32.500 0.057 0.000 0.715 197 K HN 0.471 nan 8.250 nan 0.000 0.451 198 c N 0.548 118.622 118.600 -0.876 0.000 2.403 198 c HA -0.123 4.394 4.570 -0.089 0.000 0.279 198 c C 2.445 176.217 174.090 -0.529 0.000 1.269 198 c CA 1.002 56.650 56.329 -1.135 0.000 1.774 198 c CB -0.718 41.260 42.510 -0.886 0.000 1.993 198 c HN 0.597 nan 8.230 nan 0.000 0.496 199 L N -0.405 120.561 121.223 -0.427 0.000 2.463 199 L HA 0.132 4.418 4.340 -0.089 0.000 0.219 199 L C 2.388 179.064 176.870 -0.322 0.000 1.088 199 L CA 1.204 55.862 54.840 -0.303 0.000 0.849 199 L CB -0.726 41.198 42.059 -0.225 0.000 1.012 199 L HN 0.343 nan 8.230 nan 0.000 0.468 200 Q N -0.402 119.092 119.800 -0.510 0.000 2.008 200 Q HA -0.145 4.142 4.340 -0.089 0.000 0.196 200 Q C 0.801 176.680 176.000 -0.201 0.000 0.973 200 Q CA 1.463 57.017 55.803 -0.415 0.000 0.826 200 Q CB 0.076 28.477 28.738 -0.562 0.000 0.894 200 Q HN 0.428 nan 8.270 nan 0.000 0.439 201 D N -0.682 119.617 120.400 -0.167 0.000 2.400 201 D HA -0.017 4.570 4.640 -0.089 0.000 0.242 201 D C 0.919 177.199 176.300 -0.032 0.000 1.077 201 D CA 0.993 54.967 54.000 -0.044 0.000 0.943 201 D CB -0.218 40.633 40.800 0.086 0.000 0.882 201 D HN 0.562 nan 8.370 nan 0.000 0.529 202 G N 0.359 109.112 108.800 -0.079 0.000 2.245 202 G HA2 -0.418 3.488 3.960 -0.089 0.000 0.264 202 G HA3 -0.418 3.488 3.960 -0.089 0.000 0.264 202 G C 1.417 176.296 174.900 -0.036 0.000 0.985 202 G CA 0.707 45.775 45.100 -0.054 0.000 0.625 202 G HN 0.532 nan 8.290 nan 0.000 0.536 203 A N -0.008 122.795 122.820 -0.029 0.000 1.978 203 A HA 0.442 4.708 4.320 -0.089 0.000 0.220 203 A C 1.815 179.381 177.584 -0.030 0.000 1.170 203 A CA 2.379 54.422 52.037 0.011 0.000 0.636 203 A CB -0.350 18.708 19.000 0.096 0.000 0.810 203 A HN 2.014 nan 8.150 nan 0.000 0.448 204 G N -2.574 106.173 108.800 -0.089 0.000 2.816 204 G HA2 0.479 4.386 3.960 -0.089 0.000 0.288 204 G HA3 0.479 4.386 3.960 -0.089 0.000 0.288 204 G C -0.807 174.054 174.900 -0.066 0.000 1.334 204 G CA 0.052 45.095 45.100 -0.094 0.000 0.978 204 G HN -0.003 nan 8.290 nan 0.000 0.493 205 D N -1.389 118.985 120.400 -0.043 0.000 2.407 205 D HA 0.291 4.878 4.640 -0.089 0.000 0.208 205 D C 0.090 176.461 176.300 0.118 0.000 1.083 205 D CA 0.319 54.377 54.000 0.095 0.000 0.844 205 D CB 1.670 42.606 40.800 0.227 0.000 0.967 205 D HN 0.302 nan 8.370 nan 0.000 0.506 206 V N -0.132 119.731 119.914 -0.086 0.000 2.966 206 V HA 0.650 4.717 4.120 -0.089 0.000 0.288 206 V C -1.932 173.884 176.094 -0.463 0.000 1.380 206 V CA -0.834 61.342 62.300 -0.206 0.000 0.966 206 V CB 1.687 33.391 31.823 -0.198 0.000 1.115 206 V HN 0.044 nan 8.190 nan 0.000 0.436 207 A N 5.837 128.414 122.820 -0.405 0.000 2.342 207 A HA 0.937 5.203 4.320 -0.089 0.000 0.323 207 A C -1.294 176.056 177.584 -0.390 0.000 1.125 207 A CA -0.417 51.387 52.037 -0.389 0.000 0.785 207 A CB 1.134 20.046 19.000 -0.145 0.000 1.221 207 A HN 0.816 nan 8.150 nan 0.000 0.463 208 F N 2.318 122.223 119.950 -0.075 0.000 2.361 208 F HA 0.521 4.995 4.527 -0.089 0.000 0.364 208 F C 0.563 176.414 175.800 0.086 0.000 1.120 208 F CA -0.248 57.758 58.000 0.009 0.000 1.102 208 F CB 1.456 40.453 39.000 -0.005 0.000 1.183 208 F HN 0.530 nan 8.300 nan 0.000 0.476 209 V N -0.050 120.011 119.914 0.244 0.000 3.112 209 V HA 0.602 4.668 4.120 -0.089 0.000 0.310 209 V C -0.584 175.574 176.094 0.106 0.000 1.364 209 V CA -1.581 60.847 62.300 0.214 0.000 1.058 209 V CB 1.644 33.523 31.823 0.094 0.000 1.079 209 V HN 0.598 nan 8.190 nan 0.000 0.463 210 K N 0.311 120.642 120.400 -0.116 0.000 2.118 210 K HA 0.340 4.607 4.320 -0.089 0.000 0.240 210 K C 1.148 177.568 176.600 -0.301 0.000 1.035 210 K CA 0.365 56.482 56.287 -0.283 0.000 0.899 210 K CB 0.758 32.757 32.500 -0.836 0.000 1.085 210 K HN 0.883 nan 8.250 nan 0.000 0.498 211 E N 0.463 120.465 120.200 -0.329 0.000 2.031 211 E HA -0.240 4.056 4.350 -0.089 0.000 0.193 211 E C 1.599 177.945 176.600 -0.423 0.000 0.994 211 E CA 2.160 58.281 56.400 -0.465 0.000 0.800 211 E CB -0.943 28.198 29.700 -0.932 0.000 0.752 211 E HN 0.831 nan 8.360 nan 0.000 0.447 212 T N -0.933 113.343 114.554 -0.462 0.000 3.160 212 T HA 0.012 4.308 4.350 -0.089 0.000 0.257 212 T C 1.600 176.128 174.700 -0.286 0.000 1.147 212 T CA 1.175 63.121 62.100 -0.256 0.000 1.064 212 T CB -0.520 68.117 68.868 -0.385 0.000 0.949 212 T HN 0.157 nan 8.240 nan 0.000 0.526 213 T N 1.553 115.849 114.554 -0.430 0.000 2.665 213 T HA -0.137 4.160 4.350 -0.089 0.000 0.268 213 T C 1.920 176.233 174.700 -0.647 0.000 1.035 213 T CA 1.577 63.384 62.100 -0.487 0.000 1.151 213 T CB -0.850 67.756 68.868 -0.437 0.000 0.862 213 T HN 0.350 nan 8.240 nan 0.000 0.438 214 V N 0.892 120.366 119.914 -0.733 0.000 2.233 214 V HA -0.190 3.877 4.120 -0.089 0.000 0.247 214 V C 2.077 177.729 176.094 -0.737 0.000 1.050 214 V CA 1.889 63.555 62.300 -1.057 0.000 1.010 214 V CB -0.838 30.474 31.823 -0.852 0.000 0.637 214 V HN 0.517 nan 8.190 nan 0.000 0.444 215 F N 0.823 120.521 119.950 -0.419 0.000 2.236 215 F HA -0.157 4.317 4.527 -0.089 0.000 0.302 215 F C 2.476 178.112 175.800 -0.272 0.000 1.073 215 F CA 2.113 59.942 58.000 -0.285 0.000 1.336 215 F CB -0.463 38.395 39.000 -0.236 0.000 1.040 215 F HN 0.307 nan 8.300 nan 0.000 0.507 216 E N -0.460 119.644 120.200 -0.160 0.000 2.299 216 E HA -0.063 4.233 4.350 -0.089 0.000 0.193 216 E C 1.198 177.710 176.600 -0.147 0.000 0.998 216 E CA 0.608 56.915 56.400 -0.154 0.000 0.851 216 E CB -0.082 29.503 29.700 -0.192 0.000 0.795 216 E HN 0.451 nan 8.360 nan 0.000 0.492 217 N N 0.261 118.819 118.700 -0.236 0.000 2.236 217 N HA 0.113 4.799 4.740 -0.089 0.000 0.196 217 N C -0.343 175.156 175.510 -0.019 0.000 1.114 217 N CA 0.364 53.350 53.050 -0.107 0.000 0.859 217 N CB 1.233 39.678 38.487 -0.070 0.000 0.982 217 N HN 0.052 nan 8.380 nan 0.000 0.493 218 L N 0.384 121.560 121.223 -0.079 0.000 2.564 218 L HA 0.326 4.613 4.340 -0.089 0.000 0.259 218 L C -2.337 174.528 176.870 -0.008 0.000 1.101 218 L CA -1.052 53.782 54.840 -0.010 0.000 0.900 218 L CB 2.317 44.386 42.059 0.017 0.000 1.110 218 L HN -0.287 nan 8.230 nan 0.000 0.468 219 P HA -0.012 nan 4.420 nan 0.000 0.225 219 P C -0.005 177.319 177.300 0.040 0.000 1.156 219 P CA 0.890 64.009 63.100 0.032 0.000 0.787 219 P CB 0.383 32.093 31.700 0.016 0.000 0.802 220 E N 0.408 120.628 120.200 0.035 0.000 2.081 220 E HA 0.091 4.388 4.350 -0.089 0.000 0.276 220 E C 0.871 177.493 176.600 0.036 0.000 0.950 220 E CA -0.454 55.966 56.400 0.033 0.000 0.776 220 E CB 1.220 30.936 29.700 0.027 0.000 1.094 220 E HN 0.050 nan 8.360 nan 0.000 0.402 221 K N 2.516 122.939 120.400 0.039 0.000 2.013 221 K HA -0.326 3.941 4.320 -0.089 0.000 0.225 221 K C 1.748 178.363 176.600 0.026 0.000 1.056 221 K CA 2.025 58.333 56.287 0.034 0.000 0.971 221 K CB -0.261 32.260 32.500 0.035 0.000 0.731 221 K HN 0.564 nan 8.250 nan 0.000 0.450 222 A N 1.614 124.445 122.820 0.018 0.000 2.016 222 A HA -0.319 3.948 4.320 -0.089 0.000 0.225 222 A C 1.914 179.506 177.584 0.014 0.000 1.230 222 A CA 2.579 54.621 52.037 0.009 0.000 0.678 222 A CB -0.694 18.310 19.000 0.007 0.000 0.826 222 A HN 0.506 nan 8.150 nan 0.000 0.484 223 D N -1.442 118.980 120.400 0.037 0.000 2.149 223 D HA -0.102 4.484 4.640 -0.089 0.000 0.206 223 D C 2.271 178.651 176.300 0.132 0.000 0.967 223 D CA 1.302 55.346 54.000 0.072 0.000 0.848 223 D CB -0.233 40.621 40.800 0.090 0.000 0.998 223 D HN 0.687 nan 8.370 nan 0.000 0.474 224 R N 1.000 121.562 120.500 0.104 0.000 2.081 224 R HA -0.134 4.152 4.340 -0.089 0.000 0.235 224 R C 1.285 177.644 176.300 0.099 0.000 1.131 224 R CA 1.685 57.852 56.100 0.111 0.000 0.960 224 R CB -0.413 29.846 30.300 -0.070 0.000 0.856 224 R HN -0.126 nan 8.270 nan 0.000 0.436 225 D N 1.116 121.532 120.400 0.027 0.000 2.357 225 D HA -0.184 4.402 4.640 -0.089 0.000 0.216 225 D C 1.366 177.639 176.300 -0.045 0.000 0.973 225 D CA 1.354 55.351 54.000 -0.006 0.000 0.912 225 D CB -0.059 40.734 40.800 -0.013 0.000 0.900 225 D HN 0.653 nan 8.370 nan 0.000 0.501 226 Q N -0.702 119.046 119.800 -0.086 0.000 2.280 226 Q HA -0.024 4.263 4.340 -0.089 0.000 0.202 226 Q C -0.670 175.052 176.000 -0.463 0.000 0.903 226 Q CA -0.007 55.643 55.803 -0.256 0.000 0.948 226 Q CB 0.097 28.647 28.738 -0.314 0.000 1.058 226 Q HN 0.195 nan 8.270 nan 0.000 0.493 227 Y N 0.333 120.594 120.300 -0.065 0.000 2.425 227 Y HA 0.467 4.963 4.550 -0.089 0.000 0.344 227 Y C -0.068 175.784 175.900 -0.079 0.000 0.969 227 Y CA -0.900 57.163 58.100 -0.062 0.000 1.052 227 Y CB 2.156 40.604 38.460 -0.020 0.000 1.215 227 Y HN 0.069 nan 8.280 nan 0.000 0.451 228 E N 1.768 122.006 120.200 0.063 0.000 2.450 228 E HA 0.726 5.022 4.350 -0.089 0.000 0.248 228 E C -1.461 175.154 176.600 0.025 0.000 0.930 228 E CA -0.943 55.462 56.400 0.009 0.000 0.854 228 E CB 2.095 31.764 29.700 -0.051 0.000 1.355 228 E HN 0.432 nan 8.360 nan 0.000 0.402 229 L N 1.340 122.575 121.223 0.020 0.000 2.388 229 L HA 0.435 4.722 4.340 -0.089 0.000 0.264 229 L C -1.139 175.760 176.870 0.049 0.000 0.998 229 L CA -0.786 54.082 54.840 0.046 0.000 0.817 229 L CB 1.610 43.711 42.059 0.070 0.000 1.338 229 L HN 0.335 nan 8.230 nan 0.000 0.414 230 L N 2.209 123.481 121.223 0.082 0.000 2.259 230 L HA 0.341 4.627 4.340 -0.089 0.000 0.288 230 L C -0.430 176.502 176.870 0.104 0.000 1.051 230 L CA -0.425 54.476 54.840 0.103 0.000 0.824 230 L CB 0.983 43.139 42.059 0.162 0.000 1.206 230 L HN 0.626 nan 8.230 nan 0.000 0.429 231 c N 3.367 122.011 118.600 0.073 0.000 2.539 231 c HA 0.150 4.666 4.570 -0.089 0.000 0.392 231 c C 2.000 176.125 174.090 0.059 0.000 1.269 231 c CA -0.700 55.660 56.329 0.051 0.000 2.250 231 c CB 0.675 43.202 42.510 0.028 0.000 2.584 231 c HN 0.775 nan 8.230 nan 0.000 0.589 232 L N 1.985 123.230 121.223 0.036 0.000 2.456 232 L HA -0.087 4.200 4.340 -0.089 0.000 0.224 232 L C 2.216 179.113 176.870 0.046 0.000 1.148 232 L CA 0.702 55.572 54.840 0.050 0.000 0.825 232 L CB -0.672 41.398 42.059 0.019 0.000 0.937 232 L HN 0.728 nan 8.230 nan 0.000 0.450 233 N N 0.721 119.438 118.700 0.029 0.000 2.430 233 N HA -0.232 4.454 4.740 -0.089 0.000 0.186 233 N C 0.579 176.112 175.510 0.038 0.000 1.032 233 N CA 0.628 53.693 53.050 0.025 0.000 0.893 233 N CB -0.126 38.370 38.487 0.015 0.000 0.957 233 N HN 0.232 nan 8.380 nan 0.000 0.442 234 N N -1.320 117.412 118.700 0.053 0.000 2.869 234 N HA -0.154 4.533 4.740 -0.089 0.000 0.249 234 N C -1.050 174.488 175.510 0.048 0.000 1.104 234 N CA 1.225 54.311 53.050 0.060 0.000 0.760 234 N CB -1.576 36.942 38.487 0.053 0.000 1.108 234 N HN 0.561 nan 8.380 nan 0.000 0.555 235 T N -3.035 111.544 114.554 0.041 0.000 2.865 235 T HA 0.782 5.079 4.350 -0.089 0.000 0.294 235 T C -0.004 174.710 174.700 0.023 0.000 1.119 235 T CA -0.752 61.363 62.100 0.025 0.000 1.007 235 T CB 2.441 71.318 68.868 0.015 0.000 1.225 235 T HN 0.184 nan 8.240 nan 0.000 0.515 236 R N -0.112 120.391 120.500 0.004 0.000 2.758 236 R HA 0.916 5.203 4.340 -0.089 0.000 0.265 236 R C -0.552 175.746 176.300 -0.002 0.000 1.016 236 R CA -0.428 55.670 56.100 -0.003 0.000 1.040 236 R CB 1.877 32.156 30.300 -0.036 0.000 1.152 236 R HN 1.042 nan 8.270 nan 0.000 0.503 237 A N 1.393 124.215 122.820 0.003 0.000 2.602 237 A HA 0.655 4.922 4.320 -0.089 0.000 0.290 237 A C -2.755 174.835 177.584 0.010 0.000 1.114 237 A CA -1.630 50.410 52.037 0.005 0.000 0.683 237 A CB 1.650 20.659 19.000 0.014 0.000 1.281 237 A HN 0.504 nan 8.150 nan 0.000 0.416 238 P HA 0.256 nan 4.420 nan 0.000 0.277 238 P C 1.163 178.488 177.300 0.043 0.000 1.240 238 P CA 0.141 63.250 63.100 0.016 0.000 0.798 238 P CB 0.995 32.703 31.700 0.015 0.000 0.979 239 V N -1.341 118.581 119.914 0.013 0.000 2.982 239 V HA -0.160 3.906 4.120 -0.089 0.000 0.265 239 V C 1.000 177.247 176.094 0.255 0.000 1.122 239 V CA 1.727 64.038 62.300 0.018 0.000 1.143 239 V CB -1.391 30.267 31.823 -0.274 0.000 0.726 239 V HN 0.337 nan 8.190 nan 0.000 0.507 240 D N 1.393 121.942 120.400 0.249 0.000 2.355 240 D HA 0.217 4.803 4.640 -0.089 0.000 0.218 240 D C 1.635 177.966 176.300 0.051 0.000 1.004 240 D CA 1.183 55.391 54.000 0.346 0.000 0.880 240 D CB 0.392 41.318 40.800 0.210 0.000 0.911 240 D HN 0.674 nan 8.370 nan 0.000 0.528 241 A N 0.503 123.336 122.820 0.023 0.000 2.577 241 A HA 0.194 4.460 4.320 -0.089 0.000 0.280 241 A C 1.239 178.732 177.584 -0.153 0.000 1.331 241 A CA -0.555 51.404 52.037 -0.131 0.000 0.935 241 A CB -1.092 17.875 19.000 -0.055 0.000 1.082 241 A HN 0.191 nan 8.150 nan 0.000 0.525 242 F N -0.209 119.712 119.950 -0.048 0.000 2.192 242 F HA -0.114 4.359 4.527 -0.090 0.000 0.301 242 F C 1.661 177.316 175.800 -0.242 0.000 1.079 242 F CA 1.624 59.559 58.000 -0.109 0.000 1.303 242 F CB -0.462 38.451 39.000 -0.144 0.000 1.024 242 F HN 0.144 nan 8.300 nan 0.000 0.494 243 K N 0.477 120.390 120.400 -0.813 0.000 2.280 243 K HA -0.192 4.075 4.320 -0.089 0.000 0.202 243 K C 1.990 178.523 176.600 -0.112 0.000 1.047 243 K CA 1.527 57.433 56.287 -0.636 0.000 0.942 243 K CB -0.170 31.968 32.500 -0.604 0.000 0.739 243 K HN 0.635 nan 8.250 nan 0.000 0.457 244 E N -1.680 118.487 120.200 -0.054 0.000 2.465 244 E HA 0.019 4.315 4.350 -0.089 0.000 0.209 244 E C -0.793 175.837 176.600 0.050 0.000 0.951 244 E CA -0.058 56.358 56.400 0.027 0.000 0.997 244 E CB 0.739 30.413 29.700 -0.043 0.000 1.025 244 E HN 0.155 nan 8.360 nan 0.000 0.500 245 c N 3.541 122.195 118.600 0.090 0.000 3.003 245 c HA 0.443 4.959 4.570 -0.089 0.000 0.241 245 c C -1.084 173.100 174.090 0.157 0.000 1.224 245 c CA -0.521 55.850 56.329 0.070 0.000 1.560 245 c CB -0.912 41.635 42.510 0.061 0.000 1.768 245 c HN 0.450 nan 8.230 nan 0.000 0.440 246 H N 2.124 121.236 119.070 0.069 0.000 2.980 246 H HA 0.379 4.881 4.556 -0.090 0.000 0.367 246 H C -0.169 175.247 175.328 0.145 0.000 1.206 246 H CA -0.872 55.250 56.048 0.124 0.000 1.126 246 H CB 0.718 30.560 29.762 0.134 0.000 1.838 246 H HN 0.301 nan 8.280 nan 0.000 0.552 247 L N 0.699 122.036 121.223 0.190 0.000 2.044 247 L HA 0.285 4.572 4.340 -0.089 0.000 0.205 247 L C 1.029 177.992 176.870 0.155 0.000 1.075 247 L CA 1.631 56.547 54.840 0.127 0.000 0.747 247 L CB -0.169 41.992 42.059 0.170 0.000 0.903 247 L HN 0.830 nan 8.230 nan 0.000 0.435 248 A N -1.198 121.835 122.820 0.355 0.000 2.567 248 A HA 0.481 4.747 4.320 -0.089 0.000 0.291 248 A C -1.472 176.329 177.584 0.362 0.000 1.048 248 A CA -0.603 51.644 52.037 0.350 0.000 0.661 248 A CB 0.877 19.977 19.000 0.168 0.000 1.288 248 A HN 0.049 nan 8.150 nan 0.000 0.424 249 Q N 0.290 120.224 119.800 0.223 0.000 2.278 249 Q HA 0.544 4.830 4.340 -0.089 0.000 0.257 249 Q C -0.213 175.701 176.000 -0.143 0.000 0.928 249 Q CA -0.434 55.390 55.803 0.035 0.000 0.932 249 Q CB 1.767 30.526 28.738 0.035 0.000 1.221 249 Q HN 1.109 nan 8.270 nan 0.000 0.434 250 V N 0.400 120.125 119.914 -0.315 0.000 3.046 250 V HA 0.782 4.849 4.120 -0.089 0.000 0.316 250 V C -2.661 173.086 176.094 -0.579 0.000 1.104 250 V CA -2.838 59.108 62.300 -0.589 0.000 1.006 250 V CB 1.694 33.073 31.823 -0.740 0.000 1.058 250 V HN 0.609 nan 8.190 nan 0.000 0.440 251 P HA 0.259 nan 4.420 nan 0.000 0.274 251 P C -0.142 177.037 177.300 -0.200 0.000 1.237 251 P CA 0.063 62.962 63.100 -0.334 0.000 0.793 251 P CB 0.906 32.348 31.700 -0.430 0.000 0.977 252 S N 0.916 116.656 115.700 0.066 0.000 2.585 252 S HA 0.148 4.564 4.470 -0.089 0.000 0.273 252 S C 0.226 175.160 174.600 0.557 0.000 1.339 252 S CA -0.505 57.898 58.200 0.337 0.000 1.028 252 S CB -0.417 62.765 63.200 -0.030 0.000 0.906 252 S HN 0.421 nan 8.310 nan 0.000 0.528 253 H N 0.787 120.176 119.070 0.532 0.000 3.001 253 H HA 0.384 4.886 4.556 -0.089 0.000 0.334 253 H C 0.656 176.224 175.328 0.400 0.000 1.034 253 H CA 0.150 56.485 56.048 0.477 0.000 1.420 253 H CB 0.394 30.464 29.762 0.513 0.000 1.405 253 H HN 0.854 nan 8.280 nan 0.000 0.593 254 A N 3.272 126.363 122.820 0.451 0.000 2.389 254 A HA 0.588 4.854 4.320 -0.089 0.000 0.293 254 A C -0.757 176.995 177.584 0.280 0.000 1.186 254 A CA -0.676 51.528 52.037 0.278 0.000 0.828 254 A CB 1.459 20.437 19.000 -0.037 0.000 1.369 254 A HN 0.457 nan 8.150 nan 0.000 0.446 255 V N 1.172 121.210 119.914 0.206 0.000 2.409 255 V HA 0.503 4.570 4.120 -0.089 0.000 0.291 255 V C -0.113 175.999 176.094 0.030 0.000 1.020 255 V CA -0.385 62.028 62.300 0.187 0.000 0.848 255 V CB 1.186 33.180 31.823 0.286 0.000 0.990 255 V HN 0.948 nan 8.190 nan 0.000 0.430 256 V N 2.821 122.726 119.914 -0.015 0.000 2.834 256 V HA 1.070 5.136 4.120 -0.089 0.000 0.313 256 V C 0.106 176.140 176.094 -0.099 0.000 1.060 256 V CA -0.370 61.897 62.300 -0.054 0.000 0.989 256 V CB 1.513 33.318 31.823 -0.031 0.000 1.041 256 V HN 1.066 nan 8.190 nan 0.000 0.459 257 A N 2.367 125.137 122.820 -0.082 0.000 2.552 257 A HA 0.782 5.049 4.320 -0.089 0.000 0.288 257 A C -0.184 177.366 177.584 -0.057 0.000 1.193 257 A CA -1.234 50.752 52.037 -0.085 0.000 0.713 257 A CB 1.205 20.158 19.000 -0.077 0.000 1.305 257 A HN 0.891 nan 8.150 nan 0.000 0.424 258 R N -0.038 120.434 120.500 -0.047 0.000 2.734 258 R HA 0.189 4.476 4.340 -0.089 0.000 0.266 258 R C 1.331 177.615 176.300 -0.027 0.000 1.044 258 R CA 0.597 56.680 56.100 -0.028 0.000 1.128 258 R CB 0.545 30.832 30.300 -0.021 0.000 1.010 258 R HN 0.772 nan 8.270 nan 0.000 0.461 259 S N 0.759 116.447 115.700 -0.020 0.000 2.371 259 S HA -0.039 4.378 4.470 -0.089 0.000 0.224 259 S C 0.536 175.122 174.600 -0.024 0.000 1.029 259 S CA 0.732 58.918 58.200 -0.024 0.000 0.978 259 S CB 0.314 63.502 63.200 -0.019 0.000 0.833 259 S HN 0.388 nan 8.310 nan 0.000 0.466 260 V N 0.085 119.988 119.914 -0.018 0.000 2.680 260 V HA 0.537 4.604 4.120 -0.089 0.000 0.309 260 V C -0.129 175.957 176.094 -0.014 0.000 1.052 260 V CA -0.879 61.411 62.300 -0.017 0.000 0.908 260 V CB 1.440 33.254 31.823 -0.014 0.000 1.001 260 V HN 0.188 nan 8.190 nan 0.000 0.431 261 D N 2.227 122.619 120.400 -0.013 0.000 2.708 261 D HA -0.141 4.445 4.640 -0.089 0.000 0.236 261 D C 0.469 176.762 176.300 -0.013 0.000 1.146 261 D CA 1.557 55.551 54.000 -0.011 0.000 0.662 261 D CB -0.776 40.019 40.800 -0.009 0.000 1.059 261 D HN 1.287 nan 8.370 nan 0.000 0.428 262 G N 0.968 109.758 108.800 -0.016 0.000 2.415 262 G HA2 0.435 4.341 3.960 -0.089 0.000 0.317 262 G HA3 0.435 4.341 3.960 -0.089 0.000 0.317 262 G C 0.072 174.963 174.900 -0.015 0.000 1.152 262 G CA -0.837 44.250 45.100 -0.021 0.000 0.956 262 G HN 0.085 nan 8.290 nan 0.000 0.458 263 K N 2.696 123.090 120.400 -0.010 0.000 1.826 263 K HA -0.042 4.225 4.320 -0.089 0.000 0.214 263 K C 1.041 177.652 176.600 0.017 0.000 1.139 263 K CA 0.210 56.500 56.287 0.005 0.000 1.311 263 K CB 0.490 32.993 32.500 0.005 0.000 1.014 263 K HN 0.662 nan 8.250 nan 0.000 0.272 264 E N 1.658 121.868 120.200 0.018 0.000 2.051 264 E HA -0.167 4.129 4.350 -0.089 0.000 0.189 264 E C 1.250 177.903 176.600 0.088 0.000 0.979 264 E CA 1.440 57.858 56.400 0.030 0.000 0.803 264 E CB 0.282 29.979 29.700 -0.005 0.000 0.761 264 E HN 0.609 nan 8.360 nan 0.000 0.451 265 D N 0.728 121.177 120.400 0.082 0.000 2.097 265 D HA -0.206 4.381 4.640 -0.089 0.000 0.195 265 D C 2.049 178.434 176.300 0.141 0.000 0.989 265 D CA 0.996 55.073 54.000 0.127 0.000 0.827 265 D CB -0.486 40.366 40.800 0.087 0.000 0.966 265 D HN 0.257 nan 8.370 nan 0.000 0.456 266 L N 0.110 121.386 121.223 0.089 0.000 2.131 266 L HA -0.077 4.210 4.340 -0.089 0.000 0.210 266 L C 2.729 179.652 176.870 0.088 0.000 1.092 266 L CA 0.515 55.395 54.840 0.068 0.000 0.759 266 L CB -0.445 41.636 42.059 0.037 0.000 0.903 266 L HN -0.053 nan 8.230 nan 0.000 0.435 267 I N -0.819 119.823 120.570 0.121 0.000 2.110 267 I HA -0.313 3.803 4.170 -0.089 0.000 0.236 267 I C 2.466 178.713 176.117 0.216 0.000 1.068 267 I CA 1.592 62.991 61.300 0.165 0.000 1.333 267 I CB -0.367 37.718 38.000 0.142 0.000 1.054 267 I HN 0.408 nan 8.210 nan 0.000 0.402 268 W N 2.064 123.388 121.300 0.039 0.000 2.304 268 W HA -0.323 4.285 4.660 -0.087 0.000 0.315 268 W C 2.407 178.963 176.519 0.061 0.000 1.233 268 W CA 1.754 59.120 57.345 0.036 0.000 1.261 268 W CB -0.212 29.262 29.460 0.023 0.000 1.150 268 W HN 0.096 nan 8.180 nan 0.000 0.494 269 K N 0.263 120.626 120.400 -0.061 0.000 2.063 269 K HA -0.258 4.009 4.320 -0.089 0.000 0.208 269 K C 2.138 178.631 176.600 -0.180 0.000 1.048 269 K CA 1.871 58.039 56.287 -0.198 0.000 0.928 269 K CB -0.726 31.756 32.500 -0.030 0.000 0.713 269 K HN 0.211 nan 8.250 nan 0.000 0.442 270 L N 1.182 122.374 121.223 -0.052 0.000 2.191 270 L HA -0.140 4.146 4.340 -0.089 0.000 0.212 270 L C 1.765 178.684 176.870 0.081 0.000 1.103 270 L CA 1.414 56.265 54.840 0.018 0.000 0.769 270 L CB -0.101 41.988 42.059 0.049 0.000 0.908 270 L HN 0.142 nan 8.230 nan 0.000 0.438 271 L N -1.040 120.161 121.223 -0.037 0.000 2.179 271 L HA -0.075 4.211 4.340 -0.089 0.000 0.208 271 L C 2.551 179.335 176.870 -0.143 0.000 1.096 271 L CA 1.082 55.875 54.840 -0.077 0.000 0.779 271 L CB -0.560 41.340 42.059 -0.266 0.000 0.922 271 L HN 0.447 nan 8.230 nan 0.000 0.443 272 S N -0.377 115.050 115.700 -0.455 0.000 2.357 272 S HA -0.168 4.248 4.470 -0.089 0.000 0.221 272 S C 1.931 176.454 174.600 -0.128 0.000 1.031 272 S CA 0.643 58.615 58.200 -0.380 0.000 0.982 272 S CB -0.229 62.602 63.200 -0.615 0.000 0.853 272 S HN 0.209 nan 8.310 nan 0.000 0.458 273 K N 1.664 122.012 120.400 -0.088 0.000 2.209 273 K HA 0.169 4.436 4.320 -0.089 0.000 0.204 273 K C 2.242 178.894 176.600 0.086 0.000 1.048 273 K CA 0.979 57.262 56.287 -0.008 0.000 0.940 273 K CB -0.453 32.056 32.500 0.015 0.000 0.729 273 K HN 0.465 nan 8.250 nan 0.000 0.451 274 A N 0.509 123.474 122.820 0.241 0.000 1.929 274 A HA -0.200 4.067 4.320 -0.089 0.000 0.216 274 A C 2.076 179.760 177.584 0.166 0.000 1.176 274 A CA 1.290 53.611 52.037 0.474 0.000 0.628 274 A CB -0.421 18.992 19.000 0.689 0.000 0.816 274 A HN 0.357 nan 8.150 nan 0.000 0.444 275 Q N -0.581 119.257 119.800 0.062 0.000 2.020 275 Q HA -0.254 4.032 4.340 -0.089 0.000 0.202 275 Q C 2.004 177.982 176.000 -0.036 0.000 0.982 275 Q CA 2.013 57.827 55.803 0.018 0.000 0.838 275 Q CB -0.143 28.676 28.738 0.136 0.000 0.899 275 Q HN 0.678 nan 8.270 nan 0.000 0.423 276 E N 0.018 120.181 120.200 -0.062 0.000 2.085 276 E HA -0.190 4.107 4.350 -0.089 0.000 0.194 276 E C 1.779 178.247 176.600 -0.221 0.000 0.994 276 E CA 1.330 57.666 56.400 -0.106 0.000 0.801 276 E CB 0.148 29.794 29.700 -0.091 0.000 0.743 276 E HN 0.028 nan 8.360 nan 0.000 0.453 277 K N -1.127 119.018 120.400 -0.425 0.000 2.186 277 K HA 0.059 4.325 4.320 -0.089 0.000 0.202 277 K C 0.054 176.046 176.600 -1.014 0.000 1.052 277 K CA 0.623 56.401 56.287 -0.849 0.000 0.965 277 K CB 0.348 32.038 32.500 -1.349 0.000 0.746 277 K HN 0.100 nan 8.250 nan 0.000 0.457 278 F N -1.103 118.828 119.950 -0.031 0.000 2.790 278 F HA 0.422 4.896 4.527 -0.090 0.000 0.371 278 F C 0.877 176.516 175.800 -0.269 0.000 1.293 278 F CA -1.042 56.861 58.000 -0.161 0.000 1.205 278 F CB 0.014 38.894 39.000 -0.200 0.000 1.047 278 F HN -0.163 nan 8.300 nan 0.000 0.510 279 G N 0.570 109.329 108.800 -0.068 0.000 2.479 279 G HA2 0.114 4.021 3.960 -0.089 0.000 0.275 279 G HA3 0.114 4.021 3.960 -0.089 0.000 0.275 279 G C -0.297 174.645 174.900 0.070 0.000 1.421 279 G CA -0.741 44.377 45.100 0.030 0.000 1.059 279 G HN 0.269 nan 8.290 nan 0.000 0.535 280 K N -0.203 120.281 120.400 0.140 0.000 2.336 280 K HA 0.104 4.370 4.320 -0.089 0.000 0.290 280 K C 0.290 176.886 176.600 -0.007 0.000 1.067 280 K CA 0.492 56.809 56.287 0.049 0.000 0.962 280 K CB -0.553 31.937 32.500 -0.016 0.000 1.008 280 K HN 0.558 nan 8.250 nan 0.000 0.467 281 N N 2.580 121.266 118.700 -0.024 0.000 2.806 281 N HA -0.142 4.544 4.740 -0.089 0.000 0.248 281 N C -0.620 174.872 175.510 -0.030 0.000 1.081 281 N CA 0.982 54.013 53.050 -0.030 0.000 0.680 281 N CB -0.632 37.836 38.487 -0.031 0.000 0.941 281 N HN 0.783 nan 8.380 nan 0.000 0.554 282 K N -0.747 119.633 120.400 -0.032 0.000 2.344 282 K HA 0.359 4.625 4.320 -0.089 0.000 0.200 282 K C 0.143 176.733 176.600 -0.018 0.000 1.132 282 K CA 0.882 57.143 56.287 -0.043 0.000 0.935 282 K CB 0.581 33.029 32.500 -0.087 0.000 1.089 282 K HN 0.358 nan 8.250 nan 0.000 0.496 283 S N -2.011 113.702 115.700 0.021 0.000 2.569 283 S HA 0.556 4.972 4.470 -0.089 0.000 0.280 283 S C 0.690 175.311 174.600 0.035 0.000 1.111 283 S CA -0.422 57.819 58.200 0.067 0.000 0.887 283 S CB 1.689 65.015 63.200 0.209 0.000 1.095 283 S HN 0.151 nan 8.310 nan 0.000 0.476 284 G N 1.384 110.202 108.800 0.030 0.000 2.545 284 G HA2 0.030 3.936 3.960 -0.089 0.000 0.212 284 G HA3 0.030 3.936 3.960 -0.089 0.000 0.212 284 G C 1.558 176.465 174.900 0.011 0.000 1.144 284 G CA 0.803 45.905 45.100 0.004 0.000 0.813 284 G HN 1.146 nan 8.290 nan 0.000 0.531 285 S N 0.334 116.058 115.700 0.040 0.000 2.377 285 S HA -0.081 4.336 4.470 -0.089 0.000 0.224 285 S C 0.701 175.351 174.600 0.083 0.000 1.042 285 S CA 1.005 59.227 58.200 0.037 0.000 1.086 285 S CB -0.399 62.826 63.200 0.042 0.000 0.995 285 S HN 0.531 nan 8.310 nan 0.000 0.428 286 F N 2.434 122.349 119.950 -0.059 0.000 2.539 286 F HA 0.588 5.061 4.527 -0.090 0.000 0.318 286 F C -1.403 174.343 175.800 -0.089 0.000 1.135 286 F CA -1.145 56.772 58.000 -0.138 0.000 0.915 286 F CB 1.671 40.487 39.000 -0.306 0.000 1.176 286 F HN 0.140 nan 8.300 nan 0.000 0.440 287 Q N 6.793 126.060 119.800 -0.887 0.000 2.340 287 Q HA 0.338 4.624 4.340 -0.089 0.000 0.259 287 Q C 0.474 175.692 176.000 -1.303 0.000 0.964 287 Q CA -0.651 54.652 55.803 -0.833 0.000 0.900 287 Q CB 2.475 31.002 28.738 -0.351 0.000 1.228 287 Q HN 0.923 nan 8.270 nan 0.000 0.449 288 L N 2.053 122.496 121.223 -1.300 0.000 1.988 288 L HA -0.065 4.221 4.340 -0.089 0.000 0.207 288 L C 0.974 177.518 176.870 -0.543 0.000 1.071 288 L CA 1.911 56.132 54.840 -1.032 0.000 0.744 288 L CB 0.002 41.487 42.059 -0.956 0.000 0.893 288 L HN 0.666 nan 8.230 nan 0.000 0.433 289 F N 0.021 119.826 119.950 -0.242 0.000 2.811 289 F HA 0.331 4.804 4.527 -0.090 0.000 0.301 289 F C 1.324 177.061 175.800 -0.104 0.000 1.151 289 F CA 0.063 57.990 58.000 -0.121 0.000 1.412 289 F CB -0.849 38.047 39.000 -0.173 0.000 1.113 289 F HN 0.119 nan 8.300 nan 0.000 0.579 290 G N -0.476 108.303 108.800 -0.034 0.000 2.452 290 G HA2 0.527 4.434 3.960 -0.089 0.000 0.324 290 G HA3 0.527 4.434 3.960 -0.089 0.000 0.324 290 G C -0.861 174.008 174.900 -0.052 0.000 1.214 290 G CA -0.526 44.551 45.100 -0.038 0.000 0.947 290 G HN 0.050 nan 8.290 nan 0.000 0.478 291 S N 2.267 117.962 115.700 -0.008 0.000 2.578 291 S HA 0.728 5.144 4.470 -0.089 0.000 0.301 291 S C -2.452 172.152 174.600 0.006 0.000 1.091 291 S CA -1.250 56.956 58.200 0.010 0.000 1.032 291 S CB 2.053 65.277 63.200 0.039 0.000 1.064 291 S HN 0.629 nan 8.310 nan 0.000 0.508 292 P HA 0.225 nan 4.420 nan 0.000 0.269 292 P C -2.640 174.671 177.300 0.019 0.000 1.217 292 P CA -1.029 62.080 63.100 0.015 0.000 0.783 292 P CB -1.007 30.707 31.700 0.023 0.000 0.898 293 P HA 0.053 nan 4.420 nan 0.000 0.267 293 P C 0.908 178.226 177.300 0.029 0.000 1.200 293 P CA 0.871 63.982 63.100 0.018 0.000 0.772 293 P CB 0.191 31.899 31.700 0.013 0.000 0.855 294 G N 2.302 111.123 108.800 0.035 0.000 3.349 294 G HA2 -0.163 3.744 3.960 -0.089 0.000 0.202 294 G HA3 -0.163 3.744 3.960 -0.089 0.000 0.202 294 G C -0.122 174.812 174.900 0.057 0.000 1.588 294 G CA -0.278 44.849 45.100 0.045 0.000 1.198 294 G HN 0.605 nan 8.290 nan 0.000 0.588 295 Q N 0.615 120.451 119.800 0.060 0.000 2.207 295 Q HA 0.842 5.128 4.340 -0.089 0.000 0.237 295 Q C 0.236 176.275 176.000 0.065 0.000 0.998 295 Q CA -0.803 55.045 55.803 0.074 0.000 0.951 295 Q CB 1.357 30.146 28.738 0.086 0.000 1.213 295 Q HN 0.589 nan 8.270 nan 0.000 0.499 296 R N -0.175 120.370 120.500 0.075 0.000 2.831 296 R HA 0.258 4.544 4.340 -0.089 0.000 0.266 296 R C -0.969 175.384 176.300 0.087 0.000 1.051 296 R CA -0.891 55.248 56.100 0.065 0.000 0.943 296 R CB 0.707 31.035 30.300 0.047 0.000 1.228 296 R HN 0.656 nan 8.270 nan 0.000 0.467 297 D N 0.837 121.291 120.400 0.090 0.000 2.845 297 D HA -0.180 4.407 4.640 -0.089 0.000 0.229 297 D C -0.168 176.220 176.300 0.148 0.000 1.170 297 D CA 1.039 55.120 54.000 0.135 0.000 0.717 297 D CB -0.942 39.957 40.800 0.165 0.000 1.073 297 D HN 0.317 nan 8.370 nan 0.000 0.424 298 L N 0.316 121.606 121.223 0.113 0.000 2.513 298 L HA 0.022 4.308 4.340 -0.089 0.000 0.272 298 L C 2.108 179.001 176.870 0.037 0.000 1.187 298 L CA 0.058 54.954 54.840 0.094 0.000 0.895 298 L CB 0.217 42.322 42.059 0.075 0.000 1.147 298 L HN 0.193 nan 8.230 nan 0.000 0.483 299 L N 1.126 122.353 121.223 0.007 0.000 4.467 299 L HA -0.378 3.908 4.340 -0.089 0.000 0.053 299 L C 0.179 176.937 176.870 -0.187 0.000 3.826 299 L CA 1.363 56.065 54.840 -0.231 0.000 1.082 299 L CB -0.988 40.752 42.059 -0.531 0.000 3.280 299 L HN 0.383 nan 8.230 nan 0.000 0.950 300 F N 0.370 120.439 119.950 0.199 0.000 2.375 300 F HA 0.387 4.860 4.527 -0.090 0.000 0.317 300 F C 0.822 176.798 175.800 0.293 0.000 1.124 300 F CA -0.350 57.853 58.000 0.338 0.000 1.050 300 F CB 0.202 39.459 39.000 0.429 0.000 1.314 300 F HN -0.000 nan 8.300 nan 0.000 0.511 301 K N 1.698 122.411 120.400 0.521 0.000 2.349 301 K HA 0.034 4.300 4.320 -0.089 0.000 0.288 301 K C -0.794 175.913 176.600 0.178 0.000 1.058 301 K CA -0.365 56.095 56.287 0.289 0.000 0.953 301 K CB 0.105 32.734 32.500 0.215 0.000 0.997 301 K HN 0.519 nan 8.250 nan 0.000 0.477 302 D N 1.553 122.011 120.400 0.097 0.000 2.443 302 D HA -0.084 4.503 4.640 -0.089 0.000 0.234 302 D C 0.417 176.671 176.300 -0.076 0.000 1.172 302 D CA 0.677 54.696 54.000 0.032 0.000 0.878 302 D CB 0.570 41.368 40.800 -0.003 0.000 1.204 302 D HN 0.568 nan 8.370 nan 0.000 0.453 303 S N -0.999 114.654 115.700 -0.078 0.000 3.587 303 S HA -0.173 4.243 4.470 -0.089 0.000 0.337 303 S C -0.284 174.186 174.600 -0.218 0.000 1.119 303 S CA 0.622 58.731 58.200 -0.151 0.000 0.976 303 S CB -0.908 62.180 63.200 -0.187 0.000 0.922 303 S HN 0.719 nan 8.310 nan 0.000 0.503 304 A N 0.189 122.835 122.820 -0.290 0.000 2.288 304 A HA 0.734 5.001 4.320 -0.089 0.000 0.320 304 A C 0.933 177.975 177.584 -0.904 0.000 1.217 304 A CA -0.703 51.079 52.037 -0.425 0.000 0.840 304 A CB 0.678 19.463 19.000 -0.358 0.000 1.179 304 A HN 0.324 nan 8.150 nan 0.000 0.504 305 L N 2.835 123.701 121.223 -0.594 0.000 1.961 305 L HA 0.158 4.445 4.340 -0.089 0.000 0.210 305 L C 1.640 178.079 176.870 -0.719 0.000 1.072 305 L CA 1.884 56.408 54.840 -0.526 0.000 0.749 305 L CB -0.627 41.278 42.059 -0.258 0.000 0.889 305 L HN 0.762 nan 8.230 nan 0.000 0.432 306 G N -2.422 105.982 108.800 -0.660 0.000 2.976 306 G HA2 0.567 4.473 3.960 -0.089 0.000 0.276 306 G HA3 0.567 4.473 3.960 -0.089 0.000 0.276 306 G C -1.756 172.813 174.900 -0.552 0.000 1.207 306 G CA -0.468 44.338 45.100 -0.491 0.000 0.803 306 G HN -0.127 nan 8.290 nan 0.000 0.572 307 F N 0.077 120.118 119.950 0.151 0.000 2.547 307 F HA 0.572 5.045 4.527 -0.089 0.000 0.316 307 F C -0.120 175.883 175.800 0.340 0.000 1.121 307 F CA -0.763 57.390 58.000 0.254 0.000 0.911 307 F CB 2.306 41.546 39.000 0.400 0.000 1.179 307 F HN 0.233 nan 8.300 nan 0.000 0.443 308 L N 3.895 125.373 121.223 0.425 0.000 2.309 308 L HA 0.581 4.868 4.340 -0.089 0.000 0.282 308 L C -0.088 176.843 176.870 0.102 0.000 1.036 308 L CA -0.956 54.052 54.840 0.279 0.000 0.806 308 L CB 1.433 43.633 42.059 0.235 0.000 1.220 308 L HN 0.746 nan 8.230 nan 0.000 0.429 309 R N 4.838 125.207 120.500 -0.218 0.000 2.389 309 R HA 0.345 4.631 4.340 -0.089 0.000 0.295 309 R C -0.997 175.066 176.300 -0.396 0.000 1.075 309 R CA -0.060 55.622 56.100 -0.696 0.000 1.005 309 R CB 0.388 30.031 30.300 -1.094 0.000 0.987 309 R HN 0.601 nan 8.270 nan 0.000 0.452 310 I N 7.640 127.941 120.570 -0.448 0.000 2.297 310 I HA 0.235 4.351 4.170 -0.089 0.000 0.291 310 I C -1.520 174.324 176.117 -0.455 0.000 1.033 310 I CA -2.615 58.367 61.300 -0.530 0.000 1.253 310 I CB 1.802 39.525 38.000 -0.462 0.000 1.396 310 I HN 0.593 nan 8.210 nan 0.000 0.476 311 P HA -0.217 nan 4.420 nan 0.000 0.274 311 P C 0.946 178.120 177.300 -0.211 0.000 1.315 311 P CA 0.745 63.668 63.100 -0.295 0.000 0.750 311 P CB -0.523 31.017 31.700 -0.267 0.000 1.153 312 S N -2.381 113.193 115.700 -0.210 0.000 3.309 312 S HA -0.305 4.111 4.470 -0.089 0.000 0.373 312 S C 1.267 175.801 174.600 -0.110 0.000 1.083 312 S CA 1.779 59.893 58.200 -0.142 0.000 1.059 312 S CB -1.633 61.500 63.200 -0.111 0.000 0.901 312 S HN 0.412 nan 8.310 nan 0.000 0.505 313 K N -0.151 120.176 120.400 -0.121 0.000 2.562 313 K HA 0.218 4.485 4.320 -0.089 0.000 0.218 313 K C 0.271 176.828 176.600 -0.071 0.000 1.374 313 K CA 0.759 56.997 56.287 -0.083 0.000 0.996 313 K CB 1.310 33.768 32.500 -0.070 0.000 1.127 313 K HN 0.883 nan 8.250 nan 0.000 0.603 314 V N 2.346 122.201 119.914 -0.097 0.000 2.364 314 V HA 0.383 4.450 4.120 -0.089 0.000 0.272 314 V C -0.436 175.642 176.094 -0.026 0.000 1.036 314 V CA -0.801 61.473 62.300 -0.044 0.000 0.880 314 V CB 0.780 32.577 31.823 -0.042 0.000 0.991 314 V HN 0.126 nan 8.190 nan 0.000 0.460 315 D N 4.593 124.998 120.400 0.009 0.000 2.414 315 D HA 0.215 4.801 4.640 -0.089 0.000 0.259 315 D C 1.600 177.947 176.300 0.079 0.000 1.269 315 D CA 0.138 54.146 54.000 0.014 0.000 1.028 315 D CB 0.443 41.245 40.800 0.003 0.000 1.093 315 D HN 0.654 nan 8.370 nan 0.000 0.545 316 S N -0.381 115.363 115.700 0.072 0.000 2.359 316 S HA -0.287 4.129 4.470 -0.089 0.000 0.222 316 S C 2.134 176.853 174.600 0.198 0.000 1.038 316 S CA 1.725 60.015 58.200 0.149 0.000 1.051 316 S CB -1.328 61.917 63.200 0.075 0.000 0.944 316 S HN 0.709 nan 8.310 nan 0.000 0.433 317 A N 2.022 124.908 122.820 0.110 0.000 1.903 317 A HA -0.044 4.223 4.320 -0.089 0.000 0.219 317 A C 2.455 180.116 177.584 0.129 0.000 1.191 317 A CA 1.850 53.956 52.037 0.116 0.000 0.638 317 A CB -1.078 17.954 19.000 0.052 0.000 0.823 317 A HN 0.560 nan 8.150 nan 0.000 0.451 318 L N -2.251 119.041 121.223 0.114 0.000 2.056 318 L HA -0.163 4.123 4.340 -0.089 0.000 0.207 318 L C 2.560 179.535 176.870 0.175 0.000 1.078 318 L CA 1.825 56.733 54.840 0.113 0.000 0.749 318 L CB -0.578 41.530 42.059 0.082 0.000 0.901 318 L HN 0.630 nan 8.230 nan 0.000 0.433 319 Y N 1.105 121.456 120.300 0.086 0.000 1.993 319 Y HA -0.336 4.160 4.550 -0.091 0.000 0.267 319 Y C 2.373 178.375 175.900 0.170 0.000 1.155 319 Y CA 1.791 59.968 58.100 0.128 0.000 1.105 319 Y CB -0.853 37.670 38.460 0.104 0.000 0.960 319 Y HN 0.014 nan 8.280 nan 0.000 0.486 320 L N 0.404 121.609 121.223 -0.030 0.000 2.369 320 L HA -0.149 4.138 4.340 -0.089 0.000 0.220 320 L C 1.283 178.163 176.870 0.017 0.000 1.119 320 L CA 1.125 55.950 54.840 -0.025 0.000 0.780 320 L CB -1.535 40.684 42.059 0.267 0.000 0.906 320 L HN 0.673 nan 8.230 nan 0.000 0.442 321 G N -1.377 107.432 108.800 0.015 0.000 2.730 321 G HA2 -0.255 3.651 3.960 -0.089 0.000 0.686 321 G HA3 -0.255 3.651 3.960 -0.089 0.000 0.686 321 G C 0.546 175.485 174.900 0.064 0.000 1.343 321 G CA -0.090 45.025 45.100 0.025 0.000 0.826 321 G HN 0.209 nan 8.290 nan 0.000 0.582 322 S N -0.026 115.699 115.700 0.041 0.000 2.345 322 S HA -0.043 4.373 4.470 -0.089 0.000 0.219 322 S C 2.274 176.899 174.600 0.041 0.000 1.031 322 S CA 1.671 59.893 58.200 0.037 0.000 0.984 322 S CB -0.220 62.992 63.200 0.019 0.000 0.874 322 S HN 0.809 nan 8.310 nan 0.000 0.451 323 R N -0.454 120.072 120.500 0.044 0.000 2.073 323 R HA -0.087 4.200 4.340 -0.089 0.000 0.234 323 R C 2.299 178.652 176.300 0.089 0.000 1.134 323 R CA 1.673 57.803 56.100 0.050 0.000 0.952 323 R CB -0.999 29.327 30.300 0.044 0.000 0.850 323 R HN 0.597 nan 8.270 nan 0.000 0.433 324 Y N 1.715 121.993 120.300 -0.037 0.000 2.224 324 Y HA -0.131 4.365 4.550 -0.089 0.000 0.289 324 Y C 2.124 178.000 175.900 -0.039 0.000 1.146 324 Y CA 0.894 58.968 58.100 -0.045 0.000 1.182 324 Y CB -0.438 37.987 38.460 -0.058 0.000 0.983 324 Y HN -0.030 nan 8.280 nan 0.000 0.524 325 L N -0.999 120.202 121.223 -0.037 0.000 1.994 325 L HA -0.285 4.002 4.340 -0.089 0.000 0.208 325 L C 2.296 179.096 176.870 -0.117 0.000 1.071 325 L CA 2.162 56.952 54.840 -0.084 0.000 0.745 325 L CB -0.741 41.346 42.059 0.047 0.000 0.892 325 L HN 0.192 nan 8.230 nan 0.000 0.431 326 T N -0.270 114.252 114.554 -0.053 0.000 2.684 326 T HA -0.236 4.060 4.350 -0.089 0.000 0.267 326 T C 1.841 176.487 174.700 -0.090 0.000 1.036 326 T CA 1.404 63.474 62.100 -0.049 0.000 1.148 326 T CB -0.340 68.517 68.868 -0.020 0.000 0.863 326 T HN 0.517 nan 8.240 nan 0.000 0.436 327 A N 0.754 123.511 122.820 -0.106 0.000 1.940 327 A HA 0.003 4.269 4.320 -0.089 0.000 0.219 327 A C 2.310 179.771 177.584 -0.206 0.000 1.176 327 A CA 1.240 53.207 52.037 -0.117 0.000 0.631 327 A CB -0.835 18.131 19.000 -0.056 0.000 0.814 327 A HN 0.479 nan 8.150 nan 0.000 0.446 328 L N -0.919 120.084 121.223 -0.367 0.000 2.027 328 L HA -0.165 4.121 4.340 -0.089 0.000 0.206 328 L C 2.599 179.264 176.870 -0.342 0.000 1.074 328 L CA 1.696 56.233 54.840 -0.505 0.000 0.745 328 L CB -0.262 41.266 42.059 -0.885 0.000 0.898 328 L HN 0.348 nan 8.230 nan 0.000 0.433 329 K N -0.019 120.260 120.400 -0.203 0.000 1.991 329 K HA -0.186 4.081 4.320 -0.089 0.000 0.212 329 K C 1.625 178.202 176.600 -0.038 0.000 1.049 329 K CA 2.101 58.357 56.287 -0.052 0.000 0.932 329 K CB -0.357 32.150 32.500 0.011 0.000 0.717 329 K HN 0.467 nan 8.250 nan 0.000 0.441 330 N N 0.839 119.510 118.700 -0.049 0.000 2.586 330 N HA -0.168 4.519 4.740 -0.089 0.000 0.191 330 N C 1.009 176.525 175.510 0.009 0.000 1.085 330 N CA 0.291 53.326 53.050 -0.024 0.000 0.921 330 N CB -0.107 38.358 38.487 -0.036 0.000 0.954 330 N HN 0.105 nan 8.380 nan 0.000 0.448 331 L N 0.588 121.804 121.223 -0.012 0.000 2.627 331 L HA 0.105 4.391 4.340 -0.089 0.000 0.232 331 L C 1.321 178.279 176.870 0.148 0.000 1.150 331 L CA 0.222 55.089 54.840 0.045 0.000 0.917 331 L CB 0.137 42.163 42.059 -0.055 0.000 1.104 331 L HN 0.171 nan 8.230 nan 0.000 0.445 332 R N -1.623 118.946 120.500 0.114 0.000 2.541 332 R HA 0.296 4.582 4.340 -0.089 0.000 0.332 332 R C -0.196 176.140 176.300 0.061 0.000 0.951 332 R CA -0.127 56.050 56.100 0.129 0.000 1.136 332 R CB 0.762 31.120 30.300 0.098 0.000 1.449 332 R HN 0.247 nan 8.270 nan 0.000 0.531 333 E N 2.115 122.332 120.200 0.028 0.000 2.207 333 E HA 0.193 4.490 4.350 -0.089 0.000 0.270 333 E C -0.233 176.306 176.600 -0.103 0.000 0.927 333 E CA -0.588 55.789 56.400 -0.038 0.000 0.799 333 E CB 1.965 31.649 29.700 -0.026 0.000 1.172 333 E HN 0.013 nan 8.360 nan 0.000 0.404 334 T N -1.316 113.137 114.554 -0.168 0.000 2.766 334 T HA 0.236 4.532 4.350 -0.089 0.000 0.295 334 T C 1.113 175.726 174.700 -0.145 0.000 1.024 334 T CA -0.086 61.870 62.100 -0.240 0.000 1.018 334 T CB 1.238 69.968 68.868 -0.230 0.000 1.002 334 T HN 0.496 nan 8.240 nan 0.000 0.532 335 A N 0.666 123.401 122.820 -0.141 0.000 2.121 335 A HA -0.008 4.259 4.320 -0.089 0.000 0.218 335 A C 2.218 179.754 177.584 -0.080 0.000 1.154 335 A CA 0.866 52.850 52.037 -0.088 0.000 0.679 335 A CB -0.606 18.348 19.000 -0.077 0.000 0.795 335 A HN 0.879 nan 8.150 nan 0.000 0.458 336 E N 0.225 120.370 120.200 -0.091 0.000 2.086 336 E HA -0.121 4.175 4.350 -0.089 0.000 0.190 336 E C 1.620 178.182 176.600 -0.063 0.000 0.975 336 E CA 1.034 57.390 56.400 -0.073 0.000 0.813 336 E CB -0.531 29.123 29.700 -0.077 0.000 0.768 336 E HN 0.768 nan 8.360 nan 0.000 0.457 337 E N 0.867 121.026 120.200 -0.069 0.000 2.072 337 E HA -0.091 4.205 4.350 -0.089 0.000 0.191 337 E C 2.191 178.765 176.600 -0.044 0.000 0.985 337 E CA 0.875 57.242 56.400 -0.053 0.000 0.801 337 E CB 0.150 29.817 29.700 -0.056 0.000 0.750 337 E HN -0.034 nan 8.360 nan 0.000 0.452 338 V N 0.937 120.822 119.914 -0.048 0.000 2.490 338 V HA -0.250 3.817 4.120 -0.089 0.000 0.250 338 V C 2.265 178.331 176.094 -0.046 0.000 1.061 338 V CA 1.721 63.995 62.300 -0.042 0.000 1.064 338 V CB -0.315 31.482 31.823 -0.043 0.000 0.670 338 V HN 0.281 nan 8.190 nan 0.000 0.461 339 Q N -0.903 118.867 119.800 -0.050 0.000 2.435 339 Q HA -0.015 4.271 4.340 -0.089 0.000 0.207 339 Q C 2.028 178.000 176.000 -0.048 0.000 0.956 339 Q CA 0.981 56.752 55.803 -0.054 0.000 0.917 339 Q CB 0.006 28.713 28.738 -0.052 0.000 0.997 339 Q HN 0.691 nan 8.270 nan 0.000 0.497 340 A N 0.254 123.051 122.820 -0.038 0.000 1.887 340 A HA -0.023 4.244 4.320 -0.089 0.000 0.212 340 A C 1.987 179.562 177.584 -0.016 0.000 1.198 340 A CA 0.428 52.450 52.037 -0.025 0.000 0.628 340 A CB -0.218 18.768 19.000 -0.023 0.000 0.847 340 A HN 0.114 nan 8.150 nan 0.000 0.449 341 R N 0.485 120.973 120.500 -0.019 0.000 2.127 341 R HA -0.032 4.255 4.340 -0.089 0.000 0.238 341 R C 2.085 178.380 176.300 -0.008 0.000 1.134 341 R CA 1.461 57.556 56.100 -0.009 0.000 0.975 341 R CB -0.662 29.630 30.300 -0.012 0.000 0.865 341 R HN 0.598 nan 8.270 nan 0.000 0.447 342 R N -0.840 119.634 120.500 -0.043 0.000 2.062 342 R HA 0.037 4.323 4.340 -0.089 0.000 0.229 342 R C 2.134 178.328 176.300 -0.177 0.000 1.128 342 R CA 1.497 57.537 56.100 -0.100 0.000 0.960 342 R CB -0.351 29.873 30.300 -0.126 0.000 0.855 342 R HN 0.182 nan 8.270 nan 0.000 0.432 343 A N 1.611 124.364 122.820 -0.112 0.000 2.119 343 A HA -0.075 4.191 4.320 -0.089 0.000 0.217 343 A C 0.913 178.645 177.584 0.247 0.000 1.153 343 A CA 0.331 52.342 52.037 -0.044 0.000 0.692 343 A CB -0.400 18.592 19.000 -0.014 0.000 0.799 343 A HN 0.273 nan 8.150 nan 0.000 0.458 344 R N -0.568 120.041 120.500 0.182 0.000 2.486 344 R HA 0.592 4.878 4.340 -0.089 0.000 0.286 344 R C -1.338 175.060 176.300 0.164 0.000 0.999 344 R CA -0.475 55.710 56.100 0.141 0.000 0.993 344 R CB 1.108 31.434 30.300 0.044 0.000 1.084 344 R HN -0.074 nan 8.270 nan 0.000 0.487 345 V N 2.759 122.701 119.914 0.047 0.000 2.617 345 V HA 0.301 4.367 4.120 -0.089 0.000 0.298 345 V C -0.357 175.740 176.094 0.004 0.000 1.048 345 V CA -0.692 61.620 62.300 0.020 0.000 0.964 345 V CB 1.869 33.678 31.823 -0.024 0.000 1.004 345 V HN 0.626 nan 8.190 nan 0.000 0.466 346 V N 3.491 123.423 119.914 0.030 0.000 2.327 346 V HA 0.242 4.308 4.120 -0.089 0.000 0.272 346 V C -0.142 175.987 176.094 0.059 0.000 1.019 346 V CA -0.648 61.665 62.300 0.021 0.000 0.814 346 V CB 0.879 32.705 31.823 0.004 0.000 1.040 346 V HN 0.860 nan 8.190 nan 0.000 0.440 347 W N 3.555 124.778 121.300 -0.129 0.000 2.148 347 W HA 0.224 4.821 4.660 -0.105 0.000 0.347 347 W C 0.033 176.528 176.519 -0.039 0.000 1.288 347 W CA 0.091 57.395 57.345 -0.068 0.000 1.252 347 W CB 1.356 30.778 29.460 -0.064 0.000 1.156 347 W HN 0.545 nan 8.180 nan 0.000 0.580 348 c N 5.464 123.977 118.600 -0.144 0.000 2.271 348 c HA 0.674 5.191 4.570 -0.089 0.000 0.323 348 c C 0.264 174.387 174.090 0.055 0.000 1.245 348 c CA -0.488 55.804 56.329 -0.061 0.000 1.548 348 c CB -0.872 41.537 42.510 -0.167 0.000 2.214 348 c HN 0.553 nan 8.230 nan 0.000 0.477 349 A N 5.333 128.225 122.820 0.121 0.000 2.276 349 A HA 0.545 4.811 4.320 -0.089 0.000 0.300 349 A C -0.065 177.549 177.584 0.051 0.000 1.235 349 A CA -0.220 51.899 52.037 0.136 0.000 0.867 349 A CB 0.449 19.532 19.000 0.138 0.000 1.137 349 A HN 0.867 nan 8.150 nan 0.000 0.527 350 V N 3.356 123.296 119.914 0.044 0.000 2.153 350 V HA 0.556 4.623 4.120 -0.089 0.000 0.250 350 V C 0.888 176.966 176.094 -0.027 0.000 1.334 350 V CA 1.051 63.345 62.300 -0.010 0.000 1.249 350 V CB -1.175 30.642 31.823 -0.011 0.000 1.371 350 V HN 1.596 nan 8.190 nan 0.000 0.498 351 G N 5.582 114.365 108.800 -0.028 0.000 2.375 351 G HA2 0.030 3.936 3.960 -0.089 0.000 0.663 351 G HA3 0.030 3.936 3.960 -0.089 0.000 0.663 351 G C -2.229 172.665 174.900 -0.009 0.000 1.391 351 G CA -0.192 44.885 45.100 -0.039 0.000 0.949 351 G HN 0.275 nan 8.290 nan 0.000 0.646 352 P HA -0.040 nan 4.420 nan 0.000 0.219 352 P C 1.187 178.499 177.300 0.019 0.000 1.150 352 P CA 1.482 64.584 63.100 0.003 0.000 0.814 352 P CB 0.331 32.029 31.700 -0.004 0.000 0.787 353 E N 0.081 120.295 120.200 0.023 0.000 2.072 353 E HA -0.138 4.159 4.350 -0.089 0.000 0.190 353 E C 2.183 178.818 176.600 0.059 0.000 0.982 353 E CA 0.766 57.192 56.400 0.042 0.000 0.803 353 E CB -0.187 29.543 29.700 0.050 0.000 0.755 353 E HN 0.342 nan 8.360 nan 0.000 0.453 354 E N 0.377 120.615 120.200 0.063 0.000 2.204 354 E HA -0.225 4.071 4.350 -0.089 0.000 0.194 354 E C 2.087 178.744 176.600 0.095 0.000 0.989 354 E CA 0.837 57.289 56.400 0.088 0.000 0.824 354 E CB 0.116 29.875 29.700 0.097 0.000 0.756 354 E HN 0.159 nan 8.360 nan 0.000 0.477 355 Q N 1.008 120.850 119.800 0.070 0.000 2.167 355 Q HA -0.155 4.131 4.340 -0.089 0.000 0.202 355 Q C 1.799 177.837 176.000 0.064 0.000 0.970 355 Q CA 1.319 57.162 55.803 0.066 0.000 0.855 355 Q CB 0.155 28.916 28.738 0.039 0.000 0.911 355 Q HN -0.068 nan 8.270 nan 0.000 0.438 356 K N 0.675 121.109 120.400 0.057 0.000 2.097 356 K HA -0.133 4.134 4.320 -0.089 0.000 0.205 356 K C 1.974 178.617 176.600 0.072 0.000 1.050 356 K CA 1.335 57.654 56.287 0.053 0.000 0.938 356 K CB -0.132 32.396 32.500 0.047 0.000 0.718 356 K HN 0.304 nan 8.250 nan 0.000 0.442 357 K N 0.715 121.173 120.400 0.096 0.000 2.057 357 K HA -0.126 4.141 4.320 -0.089 0.000 0.206 357 K C 2.349 179.048 176.600 0.165 0.000 1.050 357 K CA 1.150 57.518 56.287 0.136 0.000 0.935 357 K CB -0.187 32.395 32.500 0.137 0.000 0.715 357 K HN 0.144 nan 8.250 nan 0.000 0.439 358 c N 1.518 120.218 118.600 0.165 0.000 2.440 358 c HA -0.056 4.460 4.570 -0.089 0.000 0.278 358 c C 2.561 176.699 174.090 0.080 0.000 1.295 358 c CA 0.869 57.315 56.329 0.194 0.000 1.738 358 c CB -0.700 41.918 42.510 0.180 0.000 1.987 358 c HN 0.504 nan 8.230 nan 0.000 0.492 359 Q N -0.148 119.679 119.800 0.046 0.000 2.061 359 Q HA -0.296 3.991 4.340 -0.089 0.000 0.204 359 Q C 2.318 178.298 176.000 -0.032 0.000 0.984 359 Q CA 2.170 57.974 55.803 0.001 0.000 0.846 359 Q CB -0.415 28.329 28.738 0.010 0.000 0.902 359 Q HN 0.776 nan 8.270 nan 0.000 0.421 360 Q N -0.337 119.452 119.800 -0.019 0.000 2.050 360 Q HA -0.193 4.093 4.340 -0.089 0.000 0.202 360 Q C 1.835 177.646 176.000 -0.314 0.000 0.980 360 Q CA 1.245 56.996 55.803 -0.087 0.000 0.840 360 Q CB -0.177 28.570 28.738 0.015 0.000 0.898 360 Q HN 0.438 nan 8.270 nan 0.000 0.424 361 W N 0.872 121.796 121.300 -0.627 0.000 2.335 361 W HA -0.217 4.383 4.660 -0.100 0.000 0.311 361 W C 2.467 178.600 176.519 -0.643 0.000 1.213 361 W CA 1.800 58.504 57.345 -1.067 0.000 1.274 361 W CB -1.159 27.968 29.460 -0.555 0.000 1.148 361 W HN 0.172 nan 8.180 nan 0.000 0.498 362 S N 0.063 115.642 115.700 -0.202 0.000 2.392 362 S HA -0.400 4.017 4.470 -0.089 0.000 0.225 362 S C 2.054 176.549 174.600 -0.174 0.000 1.041 362 S CA 2.598 60.653 58.200 -0.242 0.000 1.100 362 S CB -1.077 62.034 63.200 -0.148 0.000 1.029 362 S HN 0.529 nan 8.310 nan 0.000 0.424 363 Q N -0.084 119.635 119.800 -0.134 0.000 2.062 363 Q HA -0.232 4.055 4.340 -0.089 0.000 0.209 363 Q C 2.338 178.292 176.000 -0.077 0.000 0.996 363 Q CA 2.191 57.940 55.803 -0.090 0.000 0.859 363 Q CB -0.335 28.360 28.738 -0.071 0.000 0.920 363 Q HN 0.541 nan 8.270 nan 0.000 0.415 364 Q N -0.160 119.554 119.800 -0.145 0.000 2.224 364 Q HA -0.091 4.195 4.340 -0.089 0.000 0.203 364 Q C 2.170 178.243 176.000 0.122 0.000 0.970 364 Q CA 1.553 57.332 55.803 -0.040 0.000 0.865 364 Q CB -0.010 28.620 28.738 -0.180 0.000 0.922 364 Q HN 0.584 nan 8.270 nan 0.000 0.445 365 S N -1.277 114.457 115.700 0.056 0.000 2.515 365 S HA 0.121 4.538 4.470 -0.089 0.000 0.231 365 S C 1.404 176.059 174.600 0.091 0.000 0.987 365 S CA 0.656 58.959 58.200 0.172 0.000 0.936 365 S CB 0.118 63.327 63.200 0.016 0.000 0.766 365 S HN 0.450 nan 8.310 nan 0.000 0.528 366 G N 0.730 109.552 108.800 0.037 0.000 2.131 366 G HA2 -0.285 3.622 3.960 -0.089 0.000 0.223 366 G HA3 -0.285 3.622 3.960 -0.089 0.000 0.223 366 G C 0.236 175.135 174.900 -0.001 0.000 0.990 366 G CA 0.472 45.587 45.100 0.024 0.000 0.671 366 G HN 0.766 nan 8.290 nan 0.000 0.521 367 Q N -1.933 117.846 119.800 -0.034 0.000 2.466 367 Q HA -0.190 4.096 4.340 -0.089 0.000 0.248 367 Q C 1.332 177.303 176.000 -0.048 0.000 0.791 367 Q CA 1.448 57.220 55.803 -0.051 0.000 1.225 367 Q CB -1.671 27.049 28.738 -0.030 0.000 1.418 367 Q HN 0.716 nan 8.270 nan 0.000 0.662 368 I N -0.810 119.734 120.570 -0.043 0.000 2.617 368 I HA -0.034 4.082 4.170 -0.089 0.000 0.256 368 I C 0.214 176.276 176.117 -0.091 0.000 1.167 368 I CA 0.808 62.094 61.300 -0.022 0.000 1.469 368 I CB 0.470 38.491 38.000 0.034 0.000 1.098 368 I HN 0.041 nan 8.210 nan 0.000 0.436 369 V N 0.938 120.726 119.914 -0.209 0.000 2.376 369 V HA 0.250 4.316 4.120 -0.089 0.000 0.287 369 V C -0.089 175.834 176.094 -0.285 0.000 1.015 369 V CA -0.421 61.673 62.300 -0.344 0.000 0.834 369 V CB 1.449 32.790 31.823 -0.803 0.000 1.001 369 V HN 0.052 nan 8.190 nan 0.000 0.428 370 T N 3.721 118.179 114.554 -0.159 0.000 2.944 370 T HA 0.476 4.772 4.350 -0.089 0.000 0.284 370 T C -0.241 174.423 174.700 -0.060 0.000 1.010 370 T CA -0.271 61.769 62.100 -0.100 0.000 1.025 370 T CB 1.264 70.099 68.868 -0.055 0.000 1.079 370 T HN 0.713 nan 8.240 nan 0.000 0.516 371 c N 2.091 120.674 118.600 -0.028 0.000 2.382 371 c HA 0.925 5.442 4.570 -0.089 0.000 0.327 371 c C 0.426 174.524 174.090 0.013 0.000 1.250 371 c CA -0.994 55.344 56.329 0.016 0.000 1.707 371 c CB 0.077 42.605 42.510 0.031 0.000 2.272 371 c HN 0.993 nan 8.230 nan 0.000 0.506 372 A N 2.229 125.062 122.820 0.022 0.000 2.401 372 A HA 0.921 5.188 4.320 -0.089 0.000 0.310 372 A C -0.429 177.162 177.584 0.011 0.000 1.075 372 A CA -0.268 51.772 52.037 0.005 0.000 0.746 372 A CB 1.117 20.111 19.000 -0.008 0.000 1.277 372 A HN 0.823 nan 8.150 nan 0.000 0.425 373 T N 0.982 115.537 114.554 0.001 0.000 2.861 373 T HA 0.735 5.031 4.350 -0.089 0.000 0.287 373 T C -0.132 174.556 174.700 -0.020 0.000 1.003 373 T CA 0.033 62.133 62.100 -0.000 0.000 0.977 373 T CB 1.697 70.569 68.868 0.006 0.000 0.996 373 T HN 1.329 nan 8.240 nan 0.000 0.448 374 A N 1.052 123.854 122.820 -0.030 0.000 2.350 374 A HA 0.798 5.064 4.320 -0.089 0.000 0.318 374 A C 1.166 178.718 177.584 -0.052 0.000 1.132 374 A CA -0.563 51.446 52.037 -0.046 0.000 0.811 374 A CB 1.494 20.455 19.000 -0.064 0.000 1.313 374 A HN 0.766 nan 8.150 nan 0.000 0.454 375 S N -0.732 114.932 115.700 -0.060 0.000 2.524 375 S HA 0.217 4.633 4.470 -0.089 0.000 0.216 375 S C 0.684 175.227 174.600 -0.094 0.000 0.987 375 S CA 1.261 59.419 58.200 -0.070 0.000 0.909 375 S CB -0.324 62.840 63.200 -0.059 0.000 0.781 375 S HN 1.749 nan 8.310 nan 0.000 0.521 376 T N -2.535 111.960 114.554 -0.099 0.000 2.821 376 T HA 0.378 4.674 4.350 -0.089 0.000 0.306 376 T C 0.706 175.311 174.700 -0.157 0.000 1.313 376 T CA -0.013 62.013 62.100 -0.123 0.000 1.012 376 T CB 0.986 69.791 68.868 -0.105 0.000 1.298 376 T HN -0.130 nan 8.240 nan 0.000 0.502 377 T N 1.132 115.540 114.554 -0.243 0.000 2.777 377 T HA -0.032 4.265 4.350 -0.089 0.000 0.266 377 T C 1.248 175.762 174.700 -0.311 0.000 1.040 377 T CA 1.748 63.636 62.100 -0.353 0.000 1.141 377 T CB -0.590 67.822 68.868 -0.760 0.000 0.868 377 T HN 0.709 nan 8.240 nan 0.000 0.444 378 D N 0.903 121.132 120.400 -0.284 0.000 2.182 378 D HA -0.073 4.514 4.640 -0.089 0.000 0.201 378 D C 1.819 178.043 176.300 -0.127 0.000 0.986 378 D CA 0.876 54.769 54.000 -0.178 0.000 0.847 378 D CB -0.288 40.442 40.800 -0.117 0.000 0.942 378 D HN 0.276 nan 8.370 nan 0.000 0.467 379 D N -1.322 119.006 120.400 -0.121 0.000 2.149 379 D HA -0.049 4.537 4.640 -0.089 0.000 0.201 379 D C 1.791 178.036 176.300 -0.091 0.000 0.972 379 D CA 0.463 54.409 54.000 -0.090 0.000 0.835 379 D CB -0.110 40.643 40.800 -0.080 0.000 0.966 379 D HN 0.175 nan 8.370 nan 0.000 0.476 380 c N -0.202 118.330 118.600 -0.114 0.000 2.446 380 c HA 0.071 4.588 4.570 -0.089 0.000 0.279 380 c C 2.565 176.584 174.090 -0.119 0.000 1.366 380 c CA -0.001 56.260 56.329 -0.113 0.000 1.763 380 c CB -0.846 41.585 42.510 -0.132 0.000 1.929 380 c HN 0.314 nan 8.230 nan 0.000 0.509 381 I N 0.928 121.423 120.570 -0.126 0.000 2.233 381 I HA -0.128 3.988 4.170 -0.089 0.000 0.243 381 I C 2.689 178.760 176.117 -0.078 0.000 1.093 381 I CA 1.525 62.759 61.300 -0.110 0.000 1.380 381 I CB -0.442 37.490 38.000 -0.113 0.000 1.067 381 I HN 0.241 nan 8.210 nan 0.000 0.413 382 A N 0.741 123.520 122.820 -0.068 0.000 1.892 382 A HA -0.210 4.056 4.320 -0.089 0.000 0.218 382 A C 2.325 179.885 177.584 -0.040 0.000 1.188 382 A CA 1.562 53.573 52.037 -0.044 0.000 0.631 382 A CB -1.012 17.963 19.000 -0.041 0.000 0.822 382 A HN 0.385 nan 8.150 nan 0.000 0.447 383 L N -0.356 120.836 121.223 -0.051 0.000 2.042 383 L HA -0.197 4.090 4.340 -0.089 0.000 0.210 383 L C 2.507 179.350 176.870 -0.046 0.000 1.076 383 L CA 1.496 56.308 54.840 -0.046 0.000 0.749 383 L CB -0.630 41.395 42.059 -0.055 0.000 0.893 383 L HN 0.297 nan 8.230 nan 0.000 0.432 384 V N -0.054 119.823 119.914 -0.063 0.000 2.626 384 V HA -0.256 3.811 4.120 -0.089 0.000 0.252 384 V C 2.348 178.421 176.094 -0.036 0.000 1.067 384 V CA 1.166 63.429 62.300 -0.062 0.000 1.081 384 V CB -0.313 31.457 31.823 -0.087 0.000 0.686 384 V HN 0.393 nan 8.190 nan 0.000 0.468 385 L N -0.625 120.581 121.223 -0.028 0.000 2.291 385 L HA -0.089 4.197 4.340 -0.089 0.000 0.214 385 L C 2.164 179.037 176.870 0.004 0.000 1.120 385 L CA 1.240 56.074 54.840 -0.009 0.000 0.799 385 L CB -0.403 41.656 42.059 -0.001 0.000 0.925 385 L HN 0.277 nan 8.230 nan 0.000 0.446 386 K N -0.023 120.377 120.400 0.001 0.000 2.444 386 K HA 0.132 4.398 4.320 -0.089 0.000 0.193 386 K C 1.226 177.832 176.600 0.010 0.000 1.024 386 K CA 0.526 56.822 56.287 0.013 0.000 1.077 386 K CB 0.147 32.652 32.500 0.009 0.000 0.833 386 K HN 0.276 nan 8.250 nan 0.000 0.517 387 G N 1.214 110.013 108.800 -0.001 0.000 2.187 387 G HA2 -0.342 3.564 3.960 -0.089 0.000 0.261 387 G HA3 -0.342 3.564 3.960 -0.089 0.000 0.261 387 G C 0.587 175.485 174.900 -0.003 0.000 1.000 387 G CA 0.724 45.823 45.100 -0.002 0.000 0.718 387 G HN 0.470 nan 8.290 nan 0.000 0.519 388 E N -0.396 119.799 120.200 -0.008 0.000 2.478 388 E HA 0.420 4.717 4.350 -0.089 0.000 0.194 388 E C 1.379 177.968 176.600 -0.018 0.000 1.045 388 E CA 0.712 57.107 56.400 -0.009 0.000 0.868 388 E CB 0.189 29.883 29.700 -0.010 0.000 0.885 388 E HN 0.805 nan 8.360 nan 0.000 0.505 389 A N -0.067 122.735 122.820 -0.029 0.000 2.525 389 A HA 0.425 4.692 4.320 -0.089 0.000 0.291 389 A C -0.477 177.078 177.584 -0.048 0.000 1.268 389 A CA -0.618 51.392 52.037 -0.044 0.000 0.712 389 A CB 1.280 20.237 19.000 -0.072 0.000 1.320 389 A HN -0.089 nan 8.150 nan 0.000 0.456 390 D N -1.834 118.521 120.400 -0.076 0.000 2.559 390 D HA 0.509 5.096 4.640 -0.089 0.000 0.296 390 D C 0.431 176.641 176.300 -0.150 0.000 1.118 390 D CA 1.416 55.376 54.000 -0.067 0.000 0.967 390 D CB 1.288 42.083 40.800 -0.008 0.000 1.607 390 D HN 0.900 nan 8.370 nan 0.000 0.493 391 A N 0.046 122.684 122.820 -0.303 0.000 2.515 391 A HA 0.814 5.080 4.320 -0.089 0.000 0.299 391 A C -1.811 175.117 177.584 -1.094 0.000 1.179 391 A CA -0.571 51.138 52.037 -0.547 0.000 0.656 391 A CB 1.151 19.856 19.000 -0.491 0.000 1.306 391 A HN 0.208 nan 8.150 nan 0.000 0.459 392 L N -3.308 117.141 121.223 -1.291 0.000 3.055 392 L HA 0.712 4.999 4.340 -0.089 0.000 0.260 392 L C -0.686 175.877 176.870 -0.512 0.000 0.986 392 L CA -0.648 53.369 54.840 -1.372 0.000 1.009 392 L CB 1.169 42.847 42.059 -0.635 0.000 1.508 392 L HN 0.759 nan 8.230 nan 0.000 0.407 393 S N 1.083 116.807 115.700 0.039 0.000 2.499 393 S HA 0.795 5.212 4.470 -0.089 0.000 0.279 393 S C -0.538 174.183 174.600 0.202 0.000 1.219 393 S CA -0.505 57.847 58.200 0.253 0.000 1.062 393 S CB 0.340 63.773 63.200 0.388 0.000 0.978 393 S HN 0.510 nan 8.310 nan 0.000 0.489 394 L N 3.291 124.647 121.223 0.222 0.000 2.354 394 L HA 0.518 4.804 4.340 -0.089 0.000 0.269 394 L C -0.168 176.853 176.870 0.252 0.000 1.005 394 L CA -1.048 53.936 54.840 0.239 0.000 0.819 394 L CB 2.030 44.186 42.059 0.161 0.000 1.311 394 L HN 0.611 nan 8.230 nan 0.000 0.423 395 D N 0.526 121.006 120.400 0.133 0.000 2.354 395 D HA 0.302 4.889 4.640 -0.089 0.000 0.247 395 D C 1.172 177.410 176.300 -0.103 0.000 1.138 395 D CA 0.373 54.133 54.000 -0.399 0.000 0.958 395 D CB 1.745 42.201 40.800 -0.574 0.000 1.144 395 D HN 0.582 nan 8.370 nan 0.000 0.458 396 G N 1.023 109.766 108.800 -0.094 0.000 2.838 396 G HA2 -0.319 3.587 3.960 -0.089 0.000 0.215 396 G HA3 -0.319 3.587 3.960 -0.089 0.000 0.215 396 G C 1.466 176.323 174.900 -0.071 0.000 1.327 396 G CA 1.049 46.135 45.100 -0.022 0.000 0.802 396 G HN 0.708 nan 8.290 nan 0.000 0.658 397 G N -0.763 107.985 108.800 -0.086 0.000 2.626 397 G HA2 -0.298 3.609 3.960 -0.089 0.000 0.224 397 G HA3 -0.298 3.609 3.960 -0.089 0.000 0.224 397 G C 1.661 176.538 174.900 -0.038 0.000 1.095 397 G CA 1.551 46.588 45.100 -0.104 0.000 0.738 397 G HN 0.457 nan 8.290 nan 0.000 0.600 398 Y N -0.000 120.297 120.300 -0.004 0.000 2.347 398 Y HA 0.260 4.756 4.550 -0.090 0.000 0.294 398 Y C 2.752 178.656 175.900 0.007 0.000 1.117 398 Y CA -0.763 57.339 58.100 0.004 0.000 1.184 398 Y CB -0.393 38.066 38.460 -0.001 0.000 1.047 398 Y HN 0.135 nan 8.280 nan 0.000 0.546 399 I N -1.013 119.663 120.570 0.176 0.000 2.118 399 I HA -0.445 3.672 4.170 -0.089 0.000 0.241 399 I C 2.282 178.401 176.117 0.003 0.000 1.070 399 I CA 1.955 63.316 61.300 0.101 0.000 1.327 399 I CB -0.644 37.444 38.000 0.147 0.000 1.034 399 I HN 0.172 nan 8.210 nan 0.000 0.405 400 Y N 1.986 122.200 120.300 -0.144 0.000 1.967 400 Y HA -0.449 4.047 4.550 -0.091 0.000 0.260 400 Y C 2.789 178.485 175.900 -0.341 0.000 1.181 400 Y CA 2.791 60.711 58.100 -0.299 0.000 1.097 400 Y CB -1.007 37.352 38.460 -0.169 0.000 0.934 400 Y HN 0.129 nan 8.280 nan 0.000 0.492 401 T N 0.680 115.321 114.554 0.145 0.000 2.699 401 T HA -0.290 4.006 4.350 -0.089 0.000 0.268 401 T C 2.015 176.638 174.700 -0.128 0.000 1.036 401 T CA 1.835 63.957 62.100 0.036 0.000 1.147 401 T CB -0.939 67.996 68.868 0.112 0.000 0.862 401 T HN 0.565 nan 8.240 nan 0.000 0.446 402 A N 1.167 123.922 122.820 -0.108 0.000 1.930 402 A HA 0.218 4.484 4.320 -0.089 0.000 0.217 402 A C 2.630 180.101 177.584 -0.188 0.000 1.175 402 A CA 1.663 53.630 52.037 -0.116 0.000 0.627 402 A CB -1.216 17.746 19.000 -0.064 0.000 0.815 402 A HN 0.516 nan 8.150 nan 0.000 0.443 403 G N -0.511 108.069 108.800 -0.366 0.000 2.404 403 G HA2 -0.180 3.726 3.960 -0.089 0.000 0.215 403 G HA3 -0.180 3.726 3.960 -0.089 0.000 0.215 403 G C 1.628 176.145 174.900 -0.639 0.000 1.174 403 G CA 0.845 45.627 45.100 -0.530 0.000 0.780 403 G HN 0.408 nan 8.290 nan 0.000 0.537 404 K N -0.237 119.628 120.400 -0.893 0.000 2.280 404 K HA -0.044 4.223 4.320 -0.089 0.000 0.202 404 K C 2.165 178.655 176.600 -0.183 0.000 1.047 404 K CA 0.642 56.635 56.287 -0.490 0.000 0.942 404 K CB -0.304 31.881 32.500 -0.526 0.000 0.739 404 K HN 0.334 nan 8.250 nan 0.000 0.457 405 c N -0.398 118.108 118.600 -0.157 0.000 2.618 405 c HA 0.145 4.661 4.570 -0.089 0.000 0.264 405 c C 1.423 175.492 174.090 -0.035 0.000 1.334 405 c CA 0.529 56.817 56.329 -0.068 0.000 1.731 405 c CB -0.484 41.989 42.510 -0.061 0.000 1.852 405 c HN 0.728 nan 8.230 nan 0.000 0.566 406 G N -0.132 108.652 108.800 -0.026 0.000 2.154 406 G HA2 -0.131 3.775 3.960 -0.089 0.000 0.186 406 G HA3 -0.131 3.775 3.960 -0.089 0.000 0.186 406 G C 0.070 174.977 174.900 0.012 0.000 1.000 406 G CA -0.369 44.737 45.100 0.011 0.000 0.664 406 G HN 0.356 nan 8.290 nan 0.000 0.513 407 L N -0.076 121.145 121.223 -0.003 0.000 2.600 407 L HA 0.807 5.094 4.340 -0.089 0.000 0.221 407 L C 1.046 177.935 176.870 0.031 0.000 1.197 407 L CA -0.215 54.623 54.840 -0.003 0.000 0.838 407 L CB 1.080 43.120 42.059 -0.032 0.000 1.474 407 L HN 0.654 nan 8.230 nan 0.000 0.514 408 V N -2.203 117.723 119.914 0.019 0.000 2.891 408 V HA 0.413 4.480 4.120 -0.089 0.000 0.304 408 V C -2.746 173.351 176.094 0.006 0.000 1.171 408 V CA -1.778 60.541 62.300 0.033 0.000 0.943 408 V CB 1.657 33.496 31.823 0.028 0.000 1.037 408 V HN 0.538 nan 8.190 nan 0.000 0.427 409 P HA 0.209 nan 4.420 nan 0.000 0.270 409 P C 0.582 177.838 177.300 -0.073 0.000 1.242 409 P CA 0.272 63.315 63.100 -0.095 0.000 0.768 409 P CB 1.646 33.197 31.700 -0.248 0.000 0.820 410 V N 4.639 124.534 119.914 -0.032 0.000 2.326 410 V HA 0.050 4.116 4.120 -0.089 0.000 0.237 410 V C 1.238 177.338 176.094 0.011 0.000 1.044 410 V CA 1.199 63.504 62.300 0.009 0.000 1.035 410 V CB -0.556 31.299 31.823 0.053 0.000 0.675 410 V HN 0.367 nan 8.190 nan 0.000 0.470 411 L N -0.476 120.774 121.223 0.045 0.000 2.388 411 L HA 0.809 5.096 4.340 -0.089 0.000 0.264 411 L C -0.596 176.300 176.870 0.043 0.000 0.998 411 L CA -0.523 54.350 54.840 0.056 0.000 0.817 411 L CB 1.947 44.081 42.059 0.126 0.000 1.338 411 L HN 0.210 nan 8.230 nan 0.000 0.414 412 A N 1.340 124.174 122.820 0.024 0.000 2.337 412 A HA 0.611 4.877 4.320 -0.089 0.000 0.329 412 A C -0.675 176.961 177.584 0.086 0.000 1.146 412 A CA -0.594 51.478 52.037 0.059 0.000 0.800 412 A CB 0.702 19.742 19.000 0.067 0.000 1.220 412 A HN 0.730 nan 8.150 nan 0.000 0.472 413 E N 1.654 121.922 120.200 0.113 0.000 2.324 413 E HA 0.135 4.432 4.350 -0.089 0.000 0.271 413 E C -0.767 175.837 176.600 0.007 0.000 1.028 413 E CA -0.244 56.156 56.400 -0.000 0.000 0.890 413 E CB 0.630 30.329 29.700 -0.002 0.000 1.004 413 E HN 0.494 nan 8.360 nan 0.000 0.431 414 N N 2.567 121.231 118.700 -0.061 0.000 2.372 414 N HA 0.157 4.844 4.740 -0.089 0.000 0.291 414 N C -0.759 174.708 175.510 -0.073 0.000 1.024 414 N CA -0.641 52.393 53.050 -0.026 0.000 0.873 414 N CB 0.888 39.367 38.487 -0.013 0.000 1.206 414 N HN 0.383 nan 8.380 nan 0.000 0.486 415 R N 1.333 121.805 120.500 -0.047 0.000 2.517 415 R HA 0.513 4.799 4.340 -0.089 0.000 0.250 415 R C -0.132 176.133 176.300 -0.059 0.000 1.213 415 R CA -0.862 55.192 56.100 -0.076 0.000 1.146 415 R CB 0.310 30.564 30.300 -0.076 0.000 1.279 415 R HN 0.187 nan 8.270 nan 0.000 0.597 416 K N 1.132 121.489 120.400 -0.071 0.000 2.295 416 K HA 0.109 4.376 4.320 -0.089 0.000 0.270 416 K C 0.185 176.757 176.600 -0.047 0.000 1.011 416 K CA -0.023 56.230 56.287 -0.058 0.000 0.953 416 K CB 1.326 33.781 32.500 -0.075 0.000 0.956 416 K HN 0.806 nan 8.250 nan 0.000 0.477 417 S N -0.327 115.359 115.700 -0.023 0.000 2.768 417 S HA 0.322 4.738 4.470 -0.089 0.000 0.300 417 S C 1.016 175.592 174.600 -0.039 0.000 1.122 417 S CA 0.024 58.217 58.200 -0.012 0.000 0.995 417 S CB 1.221 64.451 63.200 0.050 0.000 1.195 417 S HN 0.503 nan 8.310 nan 0.000 0.547 418 S N 0.289 115.961 115.700 -0.046 0.000 2.499 418 S HA 0.150 4.567 4.470 -0.089 0.000 0.225 418 S C 1.556 176.098 174.600 -0.096 0.000 1.050 418 S CA -0.160 57.997 58.200 -0.072 0.000 0.928 418 S CB -0.343 62.813 63.200 -0.072 0.000 0.803 418 S HN 0.774 nan 8.310 nan 0.000 0.506 419 K N 1.787 122.102 120.400 -0.141 0.000 2.102 419 K HA 0.141 4.407 4.320 -0.089 0.000 0.208 419 K C -0.081 176.334 176.600 -0.309 0.000 1.027 419 K CA 0.559 56.672 56.287 -0.291 0.000 0.958 419 K CB -1.132 31.060 32.500 -0.513 0.000 0.819 419 K HN 0.457 nan 8.250 nan 0.000 0.453 420 H N 1.150 120.210 119.070 -0.017 0.000 2.683 420 H HA 0.168 4.671 4.556 -0.090 0.000 0.339 420 H C 0.218 175.535 175.328 -0.018 0.000 1.081 420 H CA 0.331 56.371 56.048 -0.014 0.000 1.432 420 H CB 1.052 30.809 29.762 -0.010 0.000 1.462 420 H HN 0.347 nan 8.280 nan 0.000 0.557 421 S N 0.107 115.866 115.700 0.099 0.000 2.817 421 S HA 0.027 4.444 4.470 -0.089 0.000 0.262 421 S C 1.193 175.825 174.600 0.053 0.000 1.051 421 S CA 0.066 58.294 58.200 0.046 0.000 1.185 421 S CB 0.301 63.509 63.200 0.013 0.000 1.152 421 S HN 0.616 nan 8.310 nan 0.000 0.653 422 S N 2.504 118.259 115.700 0.093 0.000 2.349 422 S HA 0.363 4.779 4.470 -0.089 0.000 0.167 422 S C 0.626 175.252 174.600 0.043 0.000 1.027 422 S CA -0.481 57.763 58.200 0.073 0.000 1.284 422 S CB -1.026 62.241 63.200 0.111 0.000 0.774 422 S HN 0.373 nan 8.310 nan 0.000 0.448 423 L N 2.636 123.868 121.223 0.015 0.000 2.742 423 L HA -0.061 4.225 4.340 -0.089 0.000 0.297 423 L C -0.261 176.587 176.870 -0.036 0.000 1.238 423 L CA 0.581 55.381 54.840 -0.066 0.000 0.895 423 L CB 0.026 41.942 42.059 -0.239 0.000 1.166 423 L HN 0.515 nan 8.230 nan 0.000 0.494 424 D N 3.586 123.969 120.400 -0.028 0.000 2.264 424 D HA 0.022 4.608 4.640 -0.089 0.000 0.250 424 D C 0.906 177.196 176.300 -0.016 0.000 1.113 424 D CA -0.238 53.755 54.000 -0.012 0.000 0.871 424 D CB 1.470 42.267 40.800 -0.004 0.000 1.167 424 D HN 0.863 nan 8.370 nan 0.000 0.447 425 c N 2.925 121.520 118.600 -0.007 0.000 2.201 425 c HA -0.324 4.192 4.570 -0.089 0.000 0.249 425 c C 2.722 176.810 174.090 -0.003 0.000 1.072 425 c CA 1.625 57.951 56.329 -0.006 0.000 1.812 425 c CB -1.010 41.498 42.510 -0.002 0.000 1.765 425 c HN 0.680 nan 8.230 nan 0.000 0.389 426 V N 0.811 120.729 119.914 0.007 0.000 2.495 426 V HA -0.265 3.801 4.120 -0.089 0.000 0.260 426 V C 2.005 178.105 176.094 0.010 0.000 1.097 426 V CA 2.590 64.900 62.300 0.016 0.000 1.105 426 V CB -0.757 31.082 31.823 0.026 0.000 0.678 426 V HN 0.703 nan 8.190 nan 0.000 0.469 427 L N -1.383 119.837 121.223 -0.005 0.000 2.590 427 L HA 0.199 4.485 4.340 -0.089 0.000 0.227 427 L C 1.377 178.227 176.870 -0.034 0.000 1.099 427 L CA 0.059 54.891 54.840 -0.015 0.000 0.872 427 L CB 0.011 42.057 42.059 -0.021 0.000 1.088 427 L HN 0.229 nan 8.230 nan 0.000 0.479 428 R N 2.347 122.822 120.500 -0.042 0.000 2.500 428 R HA 0.338 4.625 4.340 -0.089 0.000 0.275 428 R C -2.532 173.759 176.300 -0.015 0.000 1.051 428 R CA -1.463 54.598 56.100 -0.065 0.000 1.088 428 R CB 1.000 31.247 30.300 -0.087 0.000 1.063 428 R HN -0.182 nan 8.270 nan 0.000 0.511 429 P HA 0.071 nan 4.420 nan 0.000 0.276 429 P C -0.638 176.694 177.300 0.054 0.000 1.244 429 P CA -0.303 62.818 63.100 0.034 0.000 0.801 429 P CB 0.904 32.623 31.700 0.032 0.000 1.006 430 T N -1.612 112.993 114.554 0.085 0.000 2.884 430 T HA 0.168 4.464 4.350 -0.089 0.000 0.298 430 T C 0.610 175.354 174.700 0.072 0.000 0.998 430 T CA -0.258 61.901 62.100 0.098 0.000 1.124 430 T CB 0.108 69.074 68.868 0.163 0.000 0.931 430 T HN 0.372 nan 8.240 nan 0.000 0.531 431 E N 2.111 122.348 120.200 0.062 0.000 2.476 431 E HA 0.388 4.684 4.350 -0.089 0.000 0.196 431 E C 1.191 177.807 176.600 0.027 0.000 1.029 431 E CA -0.128 56.294 56.400 0.037 0.000 0.896 431 E CB 0.023 29.739 29.700 0.027 0.000 1.012 431 E HN 1.128 nan 8.360 nan 0.000 0.475 432 G N 1.599 110.436 108.800 0.061 0.000 2.955 432 G HA2 -0.286 3.621 3.960 -0.089 0.000 0.604 432 G HA3 -0.286 3.621 3.960 -0.089 0.000 0.604 432 G C -0.472 174.487 174.900 0.100 0.000 1.572 432 G CA -0.005 45.127 45.100 0.053 0.000 1.016 432 G HN 0.312 nan 8.290 nan 0.000 0.569 433 Y N -1.733 118.583 120.300 0.026 0.000 2.567 433 Y HA 0.826 5.323 4.550 -0.088 0.000 0.333 433 Y C 0.405 176.292 175.900 -0.022 0.000 1.106 433 Y CA -1.903 56.197 58.100 -0.001 0.000 1.157 433 Y CB 1.139 39.620 38.460 0.034 0.000 1.277 433 Y HN 0.563 nan 8.280 nan 0.000 0.490 434 L N 2.651 123.958 121.223 0.139 0.000 2.325 434 L HA 0.740 5.026 4.340 -0.089 0.000 0.279 434 L C 0.035 177.008 176.870 0.172 0.000 1.054 434 L CA -1.248 53.594 54.840 0.005 0.000 0.804 434 L CB 1.481 43.479 42.059 -0.102 0.000 1.200 434 L HN 0.916 nan 8.230 nan 0.000 0.436 435 A N 3.126 126.021 122.820 0.125 0.000 2.301 435 A HA 0.706 4.972 4.320 -0.089 0.000 0.298 435 A C -0.348 177.360 177.584 0.207 0.000 1.185 435 A CA -0.461 51.697 52.037 0.201 0.000 0.830 435 A CB 1.089 20.164 19.000 0.125 0.000 1.112 435 A HN 0.584 nan 8.150 nan 0.000 0.508 436 V N -1.095 118.963 119.914 0.240 0.000 3.102 436 V HA 0.951 5.017 4.120 -0.089 0.000 0.312 436 V C -0.151 176.088 176.094 0.242 0.000 1.135 436 V CA -0.493 61.934 62.300 0.212 0.000 1.022 436 V CB 1.645 33.582 31.823 0.189 0.000 1.056 436 V HN 1.695 nan 8.190 nan 0.000 0.436 437 A N 2.533 125.470 122.820 0.194 0.000 2.285 437 A HA 0.826 5.092 4.320 -0.089 0.000 0.310 437 A C -0.519 177.097 177.584 0.053 0.000 1.266 437 A CA -0.554 51.570 52.037 0.145 0.000 0.832 437 A CB 0.818 20.003 19.000 0.308 0.000 1.163 437 A HN 1.246 nan 8.150 nan 0.000 0.499 438 V N 2.657 122.557 119.914 -0.023 0.000 2.713 438 V HA 0.743 4.810 4.120 -0.089 0.000 0.307 438 V C 0.151 176.215 176.094 -0.051 0.000 1.052 438 V CA -0.269 62.038 62.300 0.011 0.000 0.967 438 V CB 1.482 33.331 31.823 0.043 0.000 1.019 438 V HN 1.152 nan 8.190 nan 0.000 0.459 439 V N 0.255 120.186 119.914 0.028 0.000 3.204 439 V HA 0.562 4.628 4.120 -0.089 0.000 0.298 439 V C -0.883 175.228 176.094 0.029 0.000 1.328 439 V CA -1.380 60.907 62.300 -0.021 0.000 1.035 439 V CB 1.859 33.655 31.823 -0.046 0.000 1.095 439 V HN 0.739 nan 8.190 nan 0.000 0.442 440 K N 1.346 121.696 120.400 -0.083 0.000 2.298 440 K HA 0.267 4.533 4.320 -0.089 0.000 0.280 440 K C 0.884 177.380 176.600 -0.174 0.000 1.032 440 K CA -0.323 55.819 56.287 -0.242 0.000 0.958 440 K CB 1.371 33.693 32.500 -0.297 0.000 0.978 440 K HN 0.826 nan 8.250 nan 0.000 0.472 441 K N 2.310 122.592 120.400 -0.197 0.000 2.160 441 K HA -0.183 4.083 4.320 -0.089 0.000 0.206 441 K C 1.186 177.722 176.600 -0.106 0.000 1.047 441 K CA 1.559 57.775 56.287 -0.117 0.000 0.930 441 K CB -0.048 32.383 32.500 -0.113 0.000 0.720 441 K HN 0.704 nan 8.250 nan 0.000 0.450 442 A N 1.229 123.968 122.820 -0.135 0.000 2.223 442 A HA -0.026 4.241 4.320 -0.089 0.000 0.222 442 A C 0.140 177.670 177.584 -0.089 0.000 1.317 442 A CA 0.322 52.295 52.037 -0.106 0.000 0.985 442 A CB -0.349 18.580 19.000 -0.119 0.000 0.858 442 A HN 0.270 nan 8.150 nan 0.000 0.496 443 N N -0.184 118.468 118.700 -0.081 0.000 2.733 443 N HA 0.199 4.886 4.740 -0.089 0.000 0.271 443 N C 0.301 175.782 175.510 -0.047 0.000 1.720 443 N CA -0.163 52.846 53.050 -0.067 0.000 0.803 443 N CB 0.734 39.173 38.487 -0.080 0.000 1.208 443 N HN 0.354 nan 8.380 nan 0.000 0.498 444 E N -0.259 119.918 120.200 -0.039 0.000 2.338 444 E HA 0.017 4.313 4.350 -0.089 0.000 0.197 444 E C 1.683 178.273 176.600 -0.016 0.000 1.007 444 E CA 1.170 57.556 56.400 -0.024 0.000 0.849 444 E CB 0.145 29.832 29.700 -0.022 0.000 0.774 444 E HN 0.635 nan 8.360 nan 0.000 0.506 445 G N 0.301 109.088 108.800 -0.022 0.000 2.394 445 G HA2 -0.157 3.749 3.960 -0.089 0.000 0.215 445 G HA3 -0.157 3.749 3.960 -0.089 0.000 0.215 445 G C 0.472 175.367 174.900 -0.010 0.000 1.165 445 G CA -0.113 44.977 45.100 -0.016 0.000 0.784 445 G HN 0.183 nan 8.290 nan 0.000 0.535 446 L N 2.167 123.380 121.223 -0.017 0.000 2.455 446 L HA 0.485 4.771 4.340 -0.089 0.000 0.272 446 L C 0.523 177.408 176.870 0.024 0.000 1.174 446 L CA 0.370 55.205 54.840 -0.009 0.000 0.869 446 L CB 0.720 42.759 42.059 -0.033 0.000 1.130 446 L HN 0.230 nan 8.230 nan 0.000 0.474 447 T N 2.447 117.031 114.554 0.049 0.000 2.843 447 T HA 0.151 4.448 4.350 -0.089 0.000 0.302 447 T C 0.643 175.438 174.700 0.158 0.000 1.232 447 T CA -0.561 61.604 62.100 0.108 0.000 1.009 447 T CB 0.117 69.042 68.868 0.095 0.000 1.254 447 T HN 0.709 nan 8.240 nan 0.000 0.504 448 W N 1.997 123.338 121.300 0.069 0.000 2.305 448 W HA -0.180 4.425 4.660 -0.091 0.000 0.308 448 W C 0.829 177.423 176.519 0.125 0.000 1.226 448 W CA 1.848 59.255 57.345 0.104 0.000 1.253 448 W CB -0.280 29.228 29.460 0.080 0.000 1.146 448 W HN 0.700 nan 8.180 nan 0.000 0.507 449 N N 0.247 119.007 118.700 0.100 0.000 2.515 449 N HA -0.098 4.589 4.740 -0.089 0.000 0.191 449 N C 1.085 176.589 175.510 -0.011 0.000 1.182 449 N CA 1.412 54.475 53.050 0.022 0.000 0.879 449 N CB -0.042 38.504 38.487 0.098 0.000 0.984 449 N HN 0.166 nan 8.380 nan 0.000 0.453 450 S N -1.339 114.350 115.700 -0.018 0.000 3.009 450 S HA 0.246 4.662 4.470 -0.089 0.000 0.254 450 S C 1.189 175.783 174.600 -0.009 0.000 1.004 450 S CA -0.462 57.730 58.200 -0.014 0.000 1.119 450 S CB -0.246 62.952 63.200 -0.003 0.000 1.075 450 S HN 0.072 nan 8.310 nan 0.000 0.618 451 L N 1.132 122.355 121.223 0.001 0.000 2.191 451 L HA 0.141 4.427 4.340 -0.089 0.000 0.212 451 L C 1.489 178.535 176.870 0.294 0.000 1.103 451 L CA 0.894 55.803 54.840 0.114 0.000 0.769 451 L CB -0.245 41.880 42.059 0.111 0.000 0.908 451 L HN 0.366 nan 8.230 nan 0.000 0.438 452 K N -0.372 120.114 120.400 0.143 0.000 2.393 452 K HA -0.036 4.230 4.320 -0.089 0.000 0.264 452 K C 1.088 177.676 176.600 -0.020 0.000 0.979 452 K CA 0.846 57.008 56.287 -0.208 0.000 0.893 452 K CB 0.133 32.224 32.500 -0.682 0.000 0.967 452 K HN 0.202 nan 8.250 nan 0.000 0.521 453 G N 1.412 110.193 108.800 -0.032 0.000 2.309 453 G HA2 -0.274 3.633 3.960 -0.089 0.000 0.286 453 G HA3 -0.274 3.633 3.960 -0.089 0.000 0.286 453 G C -0.303 174.617 174.900 0.034 0.000 1.002 453 G CA 0.843 45.954 45.100 0.018 0.000 0.786 453 G HN 0.365 nan 8.290 nan 0.000 0.511 454 K N -0.257 120.173 120.400 0.050 0.000 2.245 454 K HA 0.580 4.846 4.320 -0.089 0.000 0.234 454 K C 0.720 177.185 176.600 -0.225 0.000 1.021 454 K CA -0.701 55.506 56.287 -0.133 0.000 0.898 454 K CB 0.832 33.194 32.500 -0.230 0.000 1.163 454 K HN 0.321 nan 8.250 nan 0.000 0.459 455 K N 0.624 120.872 120.400 -0.253 0.000 2.110 455 K HA 0.437 4.704 4.320 -0.089 0.000 0.263 455 K C -0.237 176.137 176.600 -0.377 0.000 0.975 455 K CA -0.616 55.543 56.287 -0.213 0.000 0.895 455 K CB 1.291 33.707 32.500 -0.140 0.000 1.060 455 K HN 0.722 nan 8.250 nan 0.000 0.448 456 S N -0.178 115.369 115.700 -0.256 0.000 2.549 456 S HA 0.486 4.902 4.470 -0.089 0.000 0.280 456 S C -0.734 173.741 174.600 -0.209 0.000 1.109 456 S CA -0.976 57.024 58.200 -0.332 0.000 0.905 456 S CB 0.938 63.936 63.200 -0.337 0.000 1.081 456 S HN 0.648 nan 8.310 nan 0.000 0.477 457 c N 3.755 122.142 118.600 -0.355 0.000 2.301 457 c HA 0.688 5.205 4.570 -0.089 0.000 0.323 457 c C -0.048 173.932 174.090 -0.184 0.000 1.265 457 c CA -0.608 55.601 56.329 -0.200 0.000 1.503 457 c CB -1.035 41.350 42.510 -0.209 0.000 2.195 457 c HN 0.871 nan 8.230 nan 0.000 0.477 458 H N 0.965 120.181 119.070 0.244 0.000 2.670 458 H HA 0.318 4.819 4.556 -0.092 0.000 0.361 458 H C 1.024 176.448 175.328 0.161 0.000 1.169 458 H CA -0.092 56.136 56.048 0.299 0.000 1.198 458 H CB 1.754 31.747 29.762 0.385 0.000 1.700 458 H HN 0.650 nan 8.280 nan 0.000 0.542 459 T N -0.684 114.000 114.554 0.217 0.000 2.777 459 T HA 0.244 4.541 4.350 -0.089 0.000 0.266 459 T C 0.793 175.439 174.700 -0.090 0.000 1.040 459 T CA 0.691 62.776 62.100 -0.023 0.000 1.141 459 T CB 0.194 68.974 68.868 -0.147 0.000 0.868 459 T HN 0.752 nan 8.240 nan 0.000 0.444 460 A N -0.192 122.644 122.820 0.027 0.000 2.592 460 A HA 0.517 4.783 4.320 -0.089 0.000 0.300 460 A C -0.803 176.717 177.584 -0.106 0.000 0.994 460 A CA -0.881 51.173 52.037 0.028 0.000 0.707 460 A CB 0.515 19.567 19.000 0.087 0.000 1.273 460 A HN 0.357 nan 8.150 nan 0.000 0.413 461 V N 2.771 122.539 119.914 -0.244 0.000 2.557 461 V HA 0.257 4.324 4.120 -0.089 0.000 0.301 461 V C 0.855 176.623 176.094 -0.544 0.000 1.026 461 V CA 1.756 63.626 62.300 -0.718 0.000 1.137 461 V CB 0.255 31.705 31.823 -0.622 0.000 0.917 461 V HN 1.051 nan 8.190 nan 0.000 0.484 462 D N 1.519 121.481 120.400 -0.731 0.000 2.876 462 D HA -0.141 4.446 4.640 -0.089 0.000 0.196 462 D C 0.629 176.689 176.300 -0.401 0.000 1.014 462 D CA 1.044 54.817 54.000 -0.379 0.000 1.012 462 D CB -0.429 40.249 40.800 -0.204 0.000 1.080 462 D HN 0.715 nan 8.370 nan 0.000 0.438 463 R N 0.218 120.509 120.500 -0.349 0.000 2.528 463 R HA 0.403 4.689 4.340 -0.089 0.000 0.271 463 R C 1.654 177.898 176.300 -0.095 0.000 1.056 463 R CA 0.139 56.010 56.100 -0.383 0.000 1.117 463 R CB 0.757 30.856 30.300 -0.335 0.000 1.085 463 R HN -0.100 nan 8.270 nan 0.000 0.530 464 T N 1.425 115.953 114.554 -0.044 0.000 2.443 464 T HA -0.252 4.045 4.350 -0.089 0.000 0.248 464 T C 1.665 176.430 174.700 0.108 0.000 1.247 464 T CA 1.849 64.022 62.100 0.122 0.000 1.261 464 T CB -0.421 68.565 68.868 0.197 0.000 0.867 464 T HN 0.760 nan 8.240 nan 0.000 0.394 465 A N 0.899 123.839 122.820 0.200 0.000 2.070 465 A HA 0.131 4.397 4.320 -0.089 0.000 0.220 465 A C 2.451 180.171 177.584 0.228 0.000 1.159 465 A CA 1.815 53.993 52.037 0.236 0.000 0.656 465 A CB -1.159 18.116 19.000 0.458 0.000 0.800 465 A HN 0.605 nan 8.150 nan 0.000 0.453 466 G N -2.968 105.944 108.800 0.187 0.000 2.572 466 G HA2 0.008 3.914 3.960 -0.089 0.000 0.216 466 G HA3 0.008 3.914 3.960 -0.089 0.000 0.216 466 G C 1.125 176.211 174.900 0.310 0.000 1.133 466 G CA 0.987 46.234 45.100 0.246 0.000 0.791 466 G HN 0.663 nan 8.290 nan 0.000 0.538 467 W N -0.612 120.639 121.300 -0.081 0.000 5.371 467 W HA 0.062 4.673 4.660 -0.081 0.000 0.169 467 W C 1.181 177.545 176.519 -0.258 0.000 1.184 467 W CA 0.163 57.375 57.345 -0.221 0.000 1.946 467 W CB -0.427 28.879 29.460 -0.258 0.000 0.602 467 W HN 0.054 nan 8.180 nan 0.000 1.086 468 N N 2.014 120.782 118.700 0.113 0.000 2.137 468 N HA -0.179 4.508 4.740 -0.089 0.000 0.190 468 N C 1.695 177.102 175.510 -0.172 0.000 1.017 468 N CA 2.404 55.455 53.050 0.002 0.000 0.859 468 N CB -0.681 37.874 38.487 0.113 0.000 1.002 468 N HN 0.252 nan 8.380 nan 0.000 0.428 469 I N 0.978 121.441 120.570 -0.177 0.000 2.162 469 I HA -0.134 3.982 4.170 -0.089 0.000 0.238 469 I C -0.741 175.227 176.117 -0.249 0.000 1.076 469 I CA 1.072 62.242 61.300 -0.216 0.000 1.353 469 I CB -1.511 36.398 38.000 -0.151 0.000 1.063 469 I HN 0.074 nan 8.210 nan 0.000 0.408 470 P HA -0.178 nan 4.420 nan 0.000 0.214 470 P C 1.682 178.655 177.300 -0.544 0.000 1.163 470 P CA 1.764 64.604 63.100 -0.434 0.000 0.889 470 P CB -0.205 30.969 31.700 -0.878 0.000 0.790 471 M N -1.303 117.800 119.600 -0.829 0.000 2.476 471 M HA 0.073 4.500 4.480 -0.089 0.000 0.262 471 M C 2.181 178.185 176.300 -0.493 0.000 1.079 471 M CA 1.232 55.968 55.300 -0.941 0.000 1.104 471 M CB -2.127 29.418 32.600 -1.757 0.000 1.409 471 M HN -0.017 nan 8.290 nan 0.000 0.467 472 G N 0.930 109.509 108.800 -0.368 0.000 2.434 472 G HA2 -0.116 3.791 3.960 -0.089 0.000 0.214 472 G HA3 -0.116 3.791 3.960 -0.089 0.000 0.214 472 G C 1.610 176.417 174.900 -0.154 0.000 1.202 472 G CA 0.437 45.415 45.100 -0.203 0.000 0.788 472 G HN 0.402 nan 8.290 nan 0.000 0.539 473 L N 0.189 121.325 121.223 -0.145 0.000 2.017 473 L HA 0.031 4.318 4.340 -0.089 0.000 0.208 473 L C 2.729 179.579 176.870 -0.033 0.000 1.073 473 L CA 0.853 55.666 54.840 -0.046 0.000 0.745 473 L CB -0.369 41.705 42.059 0.025 0.000 0.894 473 L HN 0.134 nan 8.230 nan 0.000 0.432 474 I N -0.437 120.035 120.570 -0.164 0.000 2.614 474 I HA -0.221 3.896 4.170 -0.089 0.000 0.258 474 I C 2.558 178.521 176.117 -0.256 0.000 1.189 474 I CA 0.904 61.991 61.300 -0.354 0.000 1.462 474 I CB -0.403 37.083 38.000 -0.857 0.000 1.092 474 I HN 0.201 nan 8.210 nan 0.000 0.442 475 A N 0.591 123.315 122.820 -0.161 0.000 1.855 475 A HA -0.167 4.099 4.320 -0.089 0.000 0.213 475 A C 1.995 179.558 177.584 -0.036 0.000 1.195 475 A CA 1.520 53.523 52.037 -0.056 0.000 0.610 475 A CB -0.616 18.387 19.000 0.005 0.000 0.837 475 A HN 0.379 nan 8.150 nan 0.000 0.444 476 N N 0.292 118.973 118.700 -0.032 0.000 2.626 476 N HA -0.066 4.621 4.740 -0.089 0.000 0.193 476 N C 1.109 176.620 175.510 0.001 0.000 1.213 476 N CA 0.690 53.733 53.050 -0.012 0.000 0.914 476 N CB -0.027 38.453 38.487 -0.012 0.000 0.994 476 N HN 0.620 nan 8.380 nan 0.000 0.447 477 Q N -2.452 117.348 119.800 0.000 0.000 2.189 477 Q HA 0.140 4.427 4.340 -0.089 0.000 0.223 477 Q C 0.830 176.850 176.000 0.032 0.000 0.828 477 Q CA 0.508 56.327 55.803 0.026 0.000 0.967 477 Q CB 0.654 29.419 28.738 0.045 0.000 1.139 477 Q HN 0.360 nan 8.270 nan 0.000 0.497 478 T N -3.323 111.241 114.554 0.018 0.000 3.092 478 T HA 0.238 4.535 4.350 -0.089 0.000 0.273 478 T C 1.319 176.021 174.700 0.003 0.000 0.898 478 T CA 0.906 63.022 62.100 0.028 0.000 0.868 478 T CB 0.380 69.287 68.868 0.066 0.000 1.228 478 T HN 0.330 nan 8.240 nan 0.000 0.555 479 G N 1.286 110.081 108.800 -0.009 0.000 2.200 479 G HA2 -0.252 3.654 3.960 -0.089 0.000 0.267 479 G HA3 -0.252 3.654 3.960 -0.089 0.000 0.267 479 G C 0.134 175.010 174.900 -0.040 0.000 0.993 479 G CA 0.687 45.776 45.100 -0.018 0.000 0.701 479 G HN 0.928 nan 8.290 nan 0.000 0.524 480 S N -1.683 113.984 115.700 -0.055 0.000 2.489 480 S HA 0.446 4.863 4.470 -0.089 0.000 0.291 480 S C 1.405 175.869 174.600 -0.227 0.000 1.151 480 S CA -0.047 58.090 58.200 -0.105 0.000 1.082 480 S CB 1.092 64.249 63.200 -0.073 0.000 1.019 480 S HN 0.396 nan 8.310 nan 0.000 0.492 481 c N 3.652 122.082 118.600 -0.282 0.000 2.495 481 c HA 0.347 4.863 4.570 -0.089 0.000 0.275 481 c C 1.520 175.101 174.090 -0.848 0.000 1.392 481 c CA 0.019 56.060 56.329 -0.480 0.000 1.766 481 c CB -1.556 40.797 42.510 -0.262 0.000 1.933 481 c HN 0.902 nan 8.230 nan 0.000 0.519 482 A N -0.077 122.443 122.820 -0.501 0.000 2.524 482 A HA 0.433 4.699 4.320 -0.089 0.000 0.250 482 A C 0.196 177.553 177.584 -0.379 0.000 1.078 482 A CA 0.521 52.338 52.037 -0.367 0.000 0.761 482 A CB -0.081 18.836 19.000 -0.138 0.000 1.012 482 A HN 0.483 nan 8.150 nan 0.000 0.500 483 F N 0.091 120.062 119.950 0.035 0.000 2.778 483 F HA 0.146 4.620 4.527 -0.088 0.000 0.314 483 F C 1.046 176.894 175.800 0.080 0.000 1.073 483 F CA -0.159 57.851 58.000 0.016 0.000 1.218 483 F CB -0.204 38.838 39.000 0.071 0.000 1.037 483 F HN 0.522 nan 8.300 nan 0.000 0.594 484 D N 0.547 121.083 120.400 0.227 0.000 2.378 484 D HA -0.089 4.498 4.640 -0.089 0.000 0.222 484 D C 1.430 177.816 176.300 0.143 0.000 0.980 484 D CA 0.897 55.005 54.000 0.181 0.000 0.907 484 D CB -0.106 40.766 40.800 0.120 0.000 0.899 484 D HN 0.374 nan 8.370 nan 0.000 0.527 485 E N -1.134 119.141 120.200 0.124 0.000 2.526 485 E HA 0.054 4.350 4.350 -0.089 0.000 0.208 485 E C 0.861 177.503 176.600 0.070 0.000 0.997 485 E CA -0.183 56.264 56.400 0.078 0.000 0.961 485 E CB 0.089 29.807 29.700 0.031 0.000 1.030 485 E HN 0.285 nan 8.360 nan 0.000 0.483 486 F N 0.443 120.368 119.950 -0.042 0.000 2.530 486 F HA 0.205 4.678 4.527 -0.090 0.000 0.292 486 F C 0.106 175.868 175.800 -0.065 0.000 1.109 486 F CA 0.192 58.094 58.000 -0.164 0.000 1.450 486 F CB 0.580 39.339 39.000 -0.401 0.000 1.114 486 F HN -0.237 nan 8.300 nan 0.000 0.560 487 F N 0.533 120.638 119.950 0.259 0.000 2.449 487 F HA 0.244 4.716 4.527 -0.091 0.000 0.342 487 F C 1.556 177.420 175.800 0.106 0.000 1.127 487 F CA -1.765 56.348 58.000 0.188 0.000 0.975 487 F CB 1.054 40.219 39.000 0.275 0.000 1.146 487 F HN -0.128 nan 8.300 nan 0.000 0.444 488 S N 1.725 117.579 115.700 0.256 0.000 2.420 488 S HA -0.143 4.273 4.470 -0.089 0.000 0.237 488 S C 0.390 175.070 174.600 0.133 0.000 1.023 488 S CA 1.013 59.292 58.200 0.132 0.000 0.991 488 S CB -0.142 63.095 63.200 0.062 0.000 0.792 488 S HN 0.751 nan 8.310 nan 0.000 0.488 489 Q N -0.916 118.980 119.800 0.161 0.000 2.617 489 Q HA 0.526 4.813 4.340 -0.089 0.000 0.270 489 Q C -1.693 174.398 176.000 0.153 0.000 0.967 489 Q CA -0.192 55.692 55.803 0.136 0.000 0.887 489 Q CB 2.240 31.017 28.738 0.065 0.000 1.516 489 Q HN 0.480 nan 8.270 nan 0.000 0.395 490 S N -0.730 115.079 115.700 0.183 0.000 2.656 490 S HA 0.609 5.025 4.470 -0.089 0.000 0.265 490 S C -1.685 173.045 174.600 0.216 0.000 1.132 490 S CA -0.839 57.484 58.200 0.205 0.000 0.819 490 S CB 1.289 64.743 63.200 0.423 0.000 1.119 490 S HN 0.823 nan 8.310 nan 0.000 0.476 491 c N 1.544 120.288 118.600 0.239 0.000 2.407 491 c HA 0.862 5.378 4.570 -0.089 0.000 0.328 491 c C -0.085 174.208 174.090 0.338 0.000 1.137 491 c CA 0.416 56.887 56.329 0.237 0.000 1.390 491 c CB -0.566 42.051 42.510 0.179 0.000 1.989 491 c HN 1.351 nan 8.230 nan 0.000 0.432 492 A N 8.759 131.762 122.820 0.306 0.000 2.586 492 A HA 0.699 4.965 4.320 -0.089 0.000 0.320 492 A C -2.622 175.048 177.584 0.142 0.000 1.281 492 A CA -1.119 51.075 52.037 0.261 0.000 0.775 492 A CB 0.430 19.543 19.000 0.189 0.000 1.122 492 A HN 0.760 nan 8.150 nan 0.000 0.470 493 P HA 0.233 nan 4.420 nan 0.000 0.266 493 P C 1.117 178.477 177.300 0.100 0.000 1.193 493 P CA 1.907 65.112 63.100 0.174 0.000 0.770 493 P CB 1.069 32.959 31.700 0.316 0.000 0.836 494 G N 0.932 109.765 108.800 0.054 0.000 2.604 494 G HA2 -0.163 3.743 3.960 -0.089 0.000 0.205 494 G HA3 -0.163 3.743 3.960 -0.089 0.000 0.205 494 G C 0.493 175.369 174.900 -0.041 0.000 1.186 494 G CA 0.229 45.331 45.100 0.003 0.000 0.753 494 G HN 0.830 nan 8.290 nan 0.000 0.526 495 A N 0.625 123.400 122.820 -0.075 0.000 2.433 495 A HA 0.437 4.703 4.320 -0.089 0.000 0.250 495 A C 0.466 178.048 177.584 -0.004 0.000 1.113 495 A CA 1.075 53.073 52.037 -0.065 0.000 0.794 495 A CB -0.257 18.706 19.000 -0.062 0.000 1.067 495 A HN 0.895 nan 8.150 nan 0.000 0.510 496 D N 0.217 120.627 120.400 0.015 0.000 2.426 496 D HA 0.133 4.720 4.640 -0.089 0.000 0.261 496 D C -1.494 174.830 176.300 0.040 0.000 1.245 496 D CA -1.249 52.768 54.000 0.028 0.000 0.917 496 D CB 0.540 41.362 40.800 0.037 0.000 1.123 496 D HN 0.169 nan 8.370 nan 0.000 0.508 497 P HA -0.120 nan 4.420 nan 0.000 0.261 497 P C 0.193 177.521 177.300 0.045 0.000 1.277 497 P CA 0.672 63.796 63.100 0.041 0.000 0.748 497 P CB 0.223 31.941 31.700 0.029 0.000 1.062 498 K N -1.121 119.308 120.400 0.049 0.000 2.521 498 K HA 0.121 4.388 4.320 -0.089 0.000 0.213 498 K C 0.922 177.559 176.600 0.061 0.000 1.223 498 K CA 0.226 56.543 56.287 0.049 0.000 1.013 498 K CB 0.938 33.461 32.500 0.039 0.000 1.017 498 K HN 0.203 nan 8.250 nan 0.000 0.591 499 S N 0.340 116.085 115.700 0.075 0.000 2.652 499 S HA 0.275 4.691 4.470 -0.089 0.000 0.270 499 S C 1.135 175.803 174.600 0.115 0.000 1.243 499 S CA -0.675 57.582 58.200 0.095 0.000 0.999 499 S CB 1.421 64.687 63.200 0.111 0.000 0.973 499 S HN 0.121 nan 8.310 nan 0.000 0.544 500 R N 0.247 120.825 120.500 0.129 0.000 2.261 500 R HA -0.082 4.205 4.340 -0.089 0.000 0.236 500 R C 1.232 177.645 176.300 0.188 0.000 1.141 500 R CA 1.093 57.281 56.100 0.147 0.000 1.001 500 R CB -1.126 29.269 30.300 0.159 0.000 0.866 500 R HN 0.580 nan 8.270 nan 0.000 0.468 501 L N -0.691 120.656 121.223 0.206 0.000 2.492 501 L HA 0.003 4.289 4.340 -0.089 0.000 0.223 501 L C 1.685 178.675 176.870 0.201 0.000 1.132 501 L CA 0.612 55.601 54.840 0.249 0.000 0.850 501 L CB 0.216 42.430 42.059 0.258 0.000 0.966 501 L HN 0.146 nan 8.230 nan 0.000 0.454 502 c N -1.064 117.626 118.600 0.150 0.000 3.183 502 c HA 0.392 4.909 4.570 -0.089 0.000 0.285 502 c C 2.671 176.831 174.090 0.118 0.000 1.313 502 c CA -0.060 56.347 56.329 0.129 0.000 1.711 502 c CB -0.599 41.969 42.510 0.097 0.000 2.135 502 c HN 0.547 nan 8.230 nan 0.000 0.651 503 A N 0.996 123.886 122.820 0.116 0.000 1.883 503 A HA -0.116 4.151 4.320 -0.089 0.000 0.217 503 A C 1.641 179.279 177.584 0.091 0.000 1.186 503 A CA 1.693 53.786 52.037 0.093 0.000 0.624 503 A CB -0.375 18.676 19.000 0.086 0.000 0.822 503 A HN 0.423 nan 8.150 nan 0.000 0.444 504 L N -0.163 121.117 121.223 0.094 0.000 2.554 504 L HA 0.071 4.358 4.340 -0.089 0.000 0.226 504 L C 0.664 177.631 176.870 0.162 0.000 1.137 504 L CA -0.317 54.567 54.840 0.074 0.000 0.863 504 L CB -1.562 40.493 42.059 -0.007 0.000 0.985 504 L HN 0.326 nan 8.230 nan 0.000 0.451 505 c N -0.359 118.360 118.600 0.198 0.000 2.644 505 c HA 0.447 4.963 4.570 -0.089 0.000 0.417 505 c C 1.835 176.047 174.090 0.203 0.000 1.304 505 c CA 0.037 56.528 56.329 0.271 0.000 2.035 505 c CB 0.563 43.187 42.510 0.191 0.000 2.673 505 c HN 0.577 nan 8.230 nan 0.000 0.602 506 A N 2.362 125.273 122.820 0.153 0.000 1.970 506 A HA 0.649 4.916 4.320 -0.089 0.000 0.204 506 A C 1.145 178.713 177.584 -0.027 0.000 1.325 506 A CA 1.063 53.120 52.037 0.034 0.000 0.767 506 A CB -0.803 18.168 19.000 -0.049 0.000 0.949 506 A HN 2.091 nan 8.150 nan 0.000 0.481 507 G N 0.267 109.019 108.800 -0.079 0.000 2.526 507 G HA2 0.105 4.011 3.960 -0.089 0.000 0.250 507 G HA3 0.105 4.011 3.960 -0.089 0.000 0.250 507 G C -0.715 174.136 174.900 -0.083 0.000 1.289 507 G CA -0.057 45.009 45.100 -0.057 0.000 0.947 507 G HN 1.001 nan 8.290 nan 0.000 0.517 508 D N 0.313 120.683 120.400 -0.051 0.000 2.369 508 D HA 0.233 4.819 4.640 -0.089 0.000 0.241 508 D C 1.455 177.731 176.300 -0.040 0.000 1.271 508 D CA 0.387 54.362 54.000 -0.043 0.000 0.942 508 D CB 0.120 40.905 40.800 -0.025 0.000 1.129 508 D HN 0.562 nan 8.370 nan 0.000 0.476 509 D N -0.313 120.072 120.400 -0.026 0.000 2.133 509 D HA -0.278 4.309 4.640 -0.089 0.000 0.195 509 D C 1.592 177.885 176.300 -0.011 0.000 0.997 509 D CA 1.312 55.302 54.000 -0.016 0.000 0.840 509 D CB -0.207 40.592 40.800 -0.002 0.000 0.947 509 D HN 0.478 nan 8.370 nan 0.000 0.452 510 Q N -0.290 119.504 119.800 -0.009 0.000 2.297 510 Q HA 0.059 4.345 4.340 -0.089 0.000 0.204 510 Q C 1.283 177.280 176.000 -0.005 0.000 0.962 510 Q CA 1.346 57.146 55.803 -0.004 0.000 0.879 510 Q CB 0.229 28.965 28.738 -0.003 0.000 0.947 510 Q HN 0.513 nan 8.270 nan 0.000 0.462 511 G N -1.021 107.773 108.800 -0.010 0.000 2.179 511 G HA2 -0.210 3.696 3.960 -0.089 0.000 0.220 511 G HA3 -0.210 3.696 3.960 -0.089 0.000 0.220 511 G C -0.020 174.877 174.900 -0.004 0.000 0.990 511 G CA 0.141 45.237 45.100 -0.006 0.000 0.646 511 G HN 0.236 nan 8.290 nan 0.000 0.517 512 L N 0.124 121.343 121.223 -0.008 0.000 2.490 512 L HA 0.494 4.781 4.340 -0.089 0.000 0.245 512 L C 0.653 177.518 176.870 -0.010 0.000 1.185 512 L CA -0.459 54.377 54.840 -0.007 0.000 0.813 512 L CB 0.039 42.093 42.059 -0.009 0.000 1.233 512 L HN 0.064 nan 8.230 nan 0.000 0.489 513 D N 0.679 121.074 120.400 -0.009 0.000 2.829 513 D HA -0.173 4.413 4.640 -0.089 0.000 0.219 513 D C -0.088 176.208 176.300 -0.006 0.000 1.239 513 D CA 1.041 55.034 54.000 -0.012 0.000 0.685 513 D CB -0.625 40.159 40.800 -0.026 0.000 0.950 513 D HN 0.481 nan 8.370 nan 0.000 0.398 514 K N -0.557 119.849 120.400 0.009 0.000 2.298 514 K HA 0.192 4.458 4.320 -0.089 0.000 0.280 514 K C 0.849 177.473 176.600 0.040 0.000 1.032 514 K CA -0.385 55.919 56.287 0.028 0.000 0.958 514 K CB 1.216 33.738 32.500 0.038 0.000 0.978 514 K HN 0.522 nan 8.250 nan 0.000 0.472 515 c N 2.342 120.982 118.600 0.066 0.000 4.456 515 c HA -0.145 4.372 4.570 -0.089 0.000 0.288 515 c C 0.237 174.360 174.090 0.056 0.000 1.374 515 c CA -0.071 56.308 56.329 0.083 0.000 1.956 515 c CB -2.031 40.525 42.510 0.076 0.000 1.255 515 c HN 0.569 nan 8.230 nan 0.000 0.788 516 V N 3.090 123.016 119.914 0.021 0.000 2.432 516 V HA 0.346 4.412 4.120 -0.089 0.000 0.271 516 V C -0.908 175.132 176.094 -0.090 0.000 1.046 516 V CA -0.774 61.504 62.300 -0.037 0.000 0.945 516 V CB 1.555 33.336 31.823 -0.070 0.000 0.992 516 V HN 0.357 nan 8.190 nan 0.000 0.471 517 P HA -0.020 nan 4.420 nan 0.000 0.299 517 P C -0.597 176.381 177.300 -0.537 0.000 1.515 517 P CA 0.454 63.537 63.100 -0.029 0.000 0.770 517 P CB -0.562 31.186 31.700 0.080 0.000 1.614 518 N N -2.658 115.437 118.700 -1.008 0.000 2.329 518 N HA 0.136 4.823 4.740 -0.089 0.000 0.282 518 N C 0.818 175.665 175.510 -1.105 0.000 1.198 518 N CA -0.616 51.769 53.050 -1.109 0.000 0.790 518 N CB 0.702 38.944 38.487 -0.407 0.000 1.579 518 N HN -0.255 nan 8.380 nan 0.000 0.475 519 S N 1.109 116.452 115.700 -0.594 0.000 2.434 519 S HA -0.377 4.039 4.470 -0.089 0.000 0.243 519 S C 1.518 176.101 174.600 -0.029 0.000 1.045 519 S CA 1.741 59.943 58.200 0.002 0.000 1.019 519 S CB -0.516 62.763 63.200 0.131 0.000 0.811 519 S HN 0.696 nan 8.310 nan 0.000 0.485 520 K N 1.444 121.778 120.400 -0.110 0.000 2.052 520 K HA -0.191 4.076 4.320 -0.089 0.000 0.215 520 K C 0.859 177.433 176.600 -0.042 0.000 1.053 520 K CA 1.852 58.102 56.287 -0.062 0.000 0.934 520 K CB -0.366 32.088 32.500 -0.076 0.000 0.717 520 K HN 0.717 nan 8.250 nan 0.000 0.450 521 E N 0.931 121.103 120.200 -0.047 0.000 2.351 521 E HA -0.074 4.222 4.350 -0.089 0.000 0.266 521 E C 0.606 177.220 176.600 0.024 0.000 1.031 521 E CA 0.125 56.523 56.400 -0.003 0.000 0.911 521 E CB 1.040 30.768 29.700 0.047 0.000 0.986 521 E HN 0.273 nan 8.360 nan 0.000 0.446 522 K N 3.721 124.056 120.400 -0.110 0.000 2.147 522 K HA -0.198 4.069 4.320 -0.089 0.000 0.205 522 K C 0.189 176.678 176.600 -0.186 0.000 1.049 522 K CA 1.276 57.445 56.287 -0.197 0.000 0.936 522 K CB -0.268 32.003 32.500 -0.382 0.000 0.722 522 K HN 0.541 nan 8.250 nan 0.000 0.446 523 Y N 0.618 120.948 120.300 0.050 0.000 2.596 523 Y HA 0.172 4.674 4.550 -0.081 0.000 0.316 523 Y C 0.098 176.055 175.900 0.094 0.000 1.156 523 Y CA -1.478 56.635 58.100 0.022 0.000 1.300 523 Y CB -0.953 37.506 38.460 -0.002 0.000 1.130 523 Y HN 0.105 nan 8.280 nan 0.000 0.518 524 Y N 0.688 121.063 120.300 0.125 0.000 2.300 524 Y HA 0.525 5.088 4.550 0.022 0.000 0.328 524 Y C 1.073 177.055 175.900 0.138 0.000 1.270 524 Y CA -0.005 58.168 58.100 0.123 0.000 1.352 524 Y CB 0.478 38.988 38.460 0.083 0.000 1.286 524 Y HN 0.389 nan 8.280 nan 0.000 0.536 525 G N 3.149 111.312 108.800 -1.061 0.000 2.914 525 G HA2 -0.373 3.533 3.960 -0.089 0.000 0.254 525 G HA3 -0.373 3.533 3.960 -0.089 0.000 0.254 525 G C 0.000 174.818 174.900 -0.137 0.000 1.449 525 G CA 0.256 44.939 45.100 -0.695 0.000 0.925 525 G HN 0.879 nan 8.290 nan 0.000 0.555 526 Y N 0.210 120.479 120.300 -0.052 0.000 2.133 526 Y HA -0.212 4.286 4.550 -0.087 0.000 0.279 526 Y C 3.419 179.372 175.900 0.089 0.000 1.209 526 Y CA 2.722 60.843 58.100 0.037 0.000 1.152 526 Y CB -0.894 37.575 38.460 0.015 0.000 0.961 526 Y HN 0.582 nan 8.280 nan 0.000 0.512 527 T N -1.508 113.209 114.554 0.271 0.000 2.976 527 T HA 0.012 4.309 4.350 -0.089 0.000 0.257 527 T C 2.129 176.992 174.700 0.271 0.000 1.051 527 T CA 1.015 63.294 62.100 0.298 0.000 1.141 527 T CB -0.594 68.460 68.868 0.309 0.000 0.881 527 T HN 0.501 nan 8.240 nan 0.000 0.461 528 G N 0.773 109.683 108.800 0.184 0.000 2.534 528 G HA2 0.098 4.005 3.960 -0.089 0.000 0.217 528 G HA3 0.098 4.005 3.960 -0.089 0.000 0.217 528 G C 1.631 176.638 174.900 0.178 0.000 1.128 528 G CA 0.829 46.019 45.100 0.151 0.000 0.784 528 G HN 0.534 nan 8.290 nan 0.000 0.542 529 A N 0.525 123.440 122.820 0.158 0.000 1.874 529 A HA 0.190 4.457 4.320 -0.089 0.000 0.214 529 A C 2.074 179.709 177.584 0.085 0.000 1.189 529 A CA 1.210 53.317 52.037 0.118 0.000 0.615 529 A CB -0.475 18.613 19.000 0.148 0.000 0.830 529 A HN 0.350 nan 8.150 nan 0.000 0.443 530 F N 0.499 120.459 119.950 0.016 0.000 2.206 530 F HA -0.049 4.422 4.527 -0.093 0.000 0.298 530 F C 2.328 178.091 175.800 -0.061 0.000 1.090 530 F CA 1.654 59.655 58.000 0.001 0.000 1.323 530 F CB -0.140 38.905 39.000 0.075 0.000 1.028 530 F HN 0.170 nan 8.300 nan 0.000 0.492 531 R N -0.430 120.070 120.500 -0.000 0.000 2.096 531 R HA -0.227 4.060 4.340 -0.089 0.000 0.235 531 R C 2.519 178.620 176.300 -0.331 0.000 1.127 531 R CA 1.639 57.326 56.100 -0.689 0.000 0.968 531 R CB -1.169 28.405 30.300 -1.211 0.000 0.861 531 R HN 0.535 nan 8.270 nan 0.000 0.440 532 c N 0.603 119.063 118.600 -0.233 0.000 2.429 532 c HA -0.075 4.441 4.570 -0.089 0.000 0.277 532 c C 2.598 176.445 174.090 -0.405 0.000 1.262 532 c CA 0.839 56.851 56.329 -0.530 0.000 1.733 532 c CB -1.052 41.135 42.510 -0.539 0.000 2.010 532 c HN 0.658 nan 8.230 nan 0.000 0.483 533 L N 2.080 123.103 121.223 -0.334 0.000 2.109 533 L HA 0.210 4.496 4.340 -0.089 0.000 0.207 533 L C 2.525 179.253 176.870 -0.238 0.000 1.086 533 L CA 2.490 57.145 54.840 -0.308 0.000 0.760 533 L CB -1.103 40.751 42.059 -0.342 0.000 0.910 533 L HN 0.297 nan 8.230 nan 0.000 0.437 534 A N -0.417 122.246 122.820 -0.263 0.000 1.902 534 A HA -0.201 4.066 4.320 -0.089 0.000 0.217 534 A C 2.113 179.697 177.584 0.000 0.000 1.181 534 A CA 1.798 53.822 52.037 -0.021 0.000 0.623 534 A CB -0.697 18.407 19.000 0.175 0.000 0.818 534 A HN 0.633 nan 8.150 nan 0.000 0.443 535 E N -0.586 119.575 120.200 -0.066 0.000 2.511 535 E HA -0.036 4.261 4.350 -0.089 0.000 0.196 535 E C -0.387 176.163 176.600 -0.083 0.000 1.066 535 E CA 0.337 56.711 56.400 -0.042 0.000 0.871 535 E CB -0.034 29.648 29.700 -0.031 0.000 0.863 535 E HN 0.479 nan 8.360 nan 0.000 0.520 536 D N -1.315 119.011 120.400 -0.123 0.000 3.046 536 D HA -0.184 4.402 4.640 -0.089 0.000 0.210 536 D C 1.123 177.335 176.300 -0.147 0.000 1.124 536 D CA 0.690 54.613 54.000 -0.128 0.000 0.986 536 D CB -1.378 39.369 40.800 -0.088 0.000 1.118 536 D HN 0.150 nan 8.370 nan 0.000 0.416 537 V N -0.443 119.350 119.914 -0.201 0.000 2.343 537 V HA -0.015 4.052 4.120 -0.089 0.000 0.247 537 V C 1.801 177.770 176.094 -0.208 0.000 1.051 537 V CA 2.177 64.348 62.300 -0.216 0.000 1.036 537 V CB -0.142 31.461 31.823 -0.367 0.000 0.654 537 V HN 0.396 nan 8.190 nan 0.000 0.451 538 G N -1.570 107.080 108.800 -0.250 0.000 3.013 538 G HA2 0.398 4.305 3.960 -0.089 0.000 0.278 538 G HA3 0.398 4.305 3.960 -0.089 0.000 0.278 538 G C -0.267 174.490 174.900 -0.239 0.000 1.353 538 G CA 0.034 44.989 45.100 -0.241 0.000 1.043 538 G HN 0.160 nan 8.290 nan 0.000 0.523 539 D N -1.594 118.644 120.400 -0.269 0.000 2.431 539 D HA 0.074 4.660 4.640 -0.089 0.000 0.235 539 D C 0.386 176.522 176.300 -0.273 0.000 0.980 539 D CA 0.680 54.533 54.000 -0.244 0.000 0.912 539 D CB 1.329 41.995 40.800 -0.222 0.000 1.056 539 D HN 0.142 nan 8.370 nan 0.000 0.494 540 V N 0.390 120.071 119.914 -0.388 0.000 2.789 540 V HA 0.666 4.732 4.120 -0.089 0.000 0.311 540 V C -1.639 174.081 176.094 -0.623 0.000 1.073 540 V CA -0.718 61.307 62.300 -0.459 0.000 0.921 540 V CB 1.876 33.387 31.823 -0.520 0.000 1.009 540 V HN 0.131 nan 8.190 nan 0.000 0.426 541 A N 5.785 128.305 122.820 -0.500 0.000 2.318 541 A HA 0.852 5.118 4.320 -0.089 0.000 0.324 541 A C -1.173 176.198 177.584 -0.355 0.000 1.170 541 A CA -0.379 51.421 52.037 -0.394 0.000 0.810 541 A CB 0.686 19.575 19.000 -0.185 0.000 1.198 541 A HN 0.731 nan 8.150 nan 0.000 0.484 542 F N 2.740 122.700 119.950 0.016 0.000 2.350 542 F HA 0.510 4.982 4.527 -0.092 0.000 0.365 542 F C 0.543 176.454 175.800 0.185 0.000 1.122 542 F CA -0.170 57.906 58.000 0.127 0.000 1.139 542 F CB 1.479 40.585 39.000 0.177 0.000 1.220 542 F HN 0.554 nan 8.300 nan 0.000 0.499 543 V N 0.184 120.320 119.914 0.369 0.000 3.230 543 V HA 0.560 4.626 4.120 -0.089 0.000 0.302 543 V C -0.894 175.430 176.094 0.383 0.000 1.421 543 V CA -1.637 60.909 62.300 0.409 0.000 1.065 543 V CB 1.778 33.826 31.823 0.374 0.000 1.097 543 V HN 0.586 nan 8.190 nan 0.000 0.460 544 K N 0.827 121.459 120.400 0.386 0.000 2.168 544 K HA 0.287 4.553 4.320 -0.089 0.000 0.258 544 K C 0.862 177.531 176.600 0.115 0.000 1.010 544 K CA 0.409 56.832 56.287 0.227 0.000 0.929 544 K CB 0.900 33.347 32.500 -0.088 0.000 0.998 544 K HN 0.820 nan 8.250 nan 0.000 0.479 545 N N 2.190 120.980 118.700 0.149 0.000 2.005 545 N HA -0.268 4.418 4.740 -0.089 0.000 0.199 545 N C 0.562 176.200 175.510 0.214 0.000 1.054 545 N CA 2.656 55.819 53.050 0.189 0.000 0.864 545 N CB -0.580 38.021 38.487 0.190 0.000 1.063 545 N HN 0.791 nan 8.380 nan 0.000 0.428 546 D N -1.446 118.997 120.400 0.072 0.000 2.280 546 D HA -0.132 4.454 4.640 -0.089 0.000 0.206 546 D C 1.546 177.856 176.300 0.017 0.000 0.988 546 D CA 1.376 55.388 54.000 0.021 0.000 0.886 546 D CB -0.392 40.305 40.800 -0.172 0.000 0.914 546 D HN 0.367 nan 8.370 nan 0.000 0.473 547 T N -0.116 114.382 114.554 -0.094 0.000 2.759 547 T HA -0.140 4.156 4.350 -0.089 0.000 0.269 547 T C 2.098 176.614 174.700 -0.306 0.000 1.042 547 T CA 0.981 62.969 62.100 -0.187 0.000 1.140 547 T CB -0.164 68.626 68.868 -0.131 0.000 0.864 547 T HN 0.074 nan 8.240 nan 0.000 0.455 548 V N -0.460 119.338 119.914 -0.194 0.000 2.307 548 V HA -0.125 3.942 4.120 -0.089 0.000 0.245 548 V C 2.067 177.929 176.094 -0.387 0.000 1.045 548 V CA 1.260 63.301 62.300 -0.433 0.000 1.024 548 V CB -1.023 30.659 31.823 -0.234 0.000 0.651 548 V HN 0.582 nan 8.190 nan 0.000 0.449 549 W N 0.556 121.710 121.300 -0.244 0.000 2.465 549 W HA 0.042 4.647 4.660 -0.092 0.000 0.268 549 W C 2.242 178.631 176.519 -0.217 0.000 1.242 549 W CA 0.608 57.845 57.345 -0.181 0.000 1.248 549 W CB -0.605 28.784 29.460 -0.119 0.000 1.118 549 W HN 0.244 nan 8.180 nan 0.000 0.587 550 E N -0.123 120.052 120.200 -0.042 0.000 2.511 550 E HA -0.053 4.243 4.350 -0.089 0.000 0.196 550 E C 0.980 177.451 176.600 -0.215 0.000 1.066 550 E CA 0.504 56.830 56.400 -0.124 0.000 0.871 550 E CB -0.200 29.413 29.700 -0.144 0.000 0.863 550 E HN 0.413 nan 8.360 nan 0.000 0.520 551 N N -0.083 118.419 118.700 -0.331 0.000 2.116 551 N HA 0.004 4.690 4.740 -0.089 0.000 0.230 551 N C -0.604 174.753 175.510 -0.256 0.000 1.326 551 N CA 0.194 53.018 53.050 -0.376 0.000 0.867 551 N CB 1.515 39.697 38.487 -0.507 0.000 1.174 551 N HN -0.028 nan 8.380 nan 0.000 0.506 552 T N -1.028 113.414 114.554 -0.186 0.000 2.809 552 T HA 0.423 4.720 4.350 -0.089 0.000 0.284 552 T C -0.097 174.592 174.700 -0.018 0.000 0.992 552 T CA -0.405 61.666 62.100 -0.049 0.000 0.957 552 T CB 1.494 70.336 68.868 -0.044 0.000 0.942 552 T HN -0.015 nan 8.240 nan 0.000 0.439 553 N N 1.367 120.072 118.700 0.007 0.000 3.113 553 N HA -0.096 4.591 4.740 -0.089 0.000 0.246 553 N C 0.955 176.462 175.510 -0.006 0.000 1.134 553 N CA 1.206 54.264 53.050 0.012 0.000 0.704 553 N CB -1.580 36.924 38.487 0.027 0.000 1.084 553 N HN 1.789 nan 8.380 nan 0.000 0.558 554 G N -0.675 108.108 108.800 -0.028 0.000 2.168 554 G HA2 -0.382 3.525 3.960 -0.089 0.000 0.257 554 G HA3 -0.382 3.525 3.960 -0.089 0.000 0.257 554 G C 0.787 175.657 174.900 -0.050 0.000 0.997 554 G CA 1.013 46.089 45.100 -0.040 0.000 0.708 554 G HN 0.477 nan 8.290 nan 0.000 0.520 555 E N 0.195 120.359 120.200 -0.060 0.000 2.170 555 E HA 0.216 4.512 4.350 -0.089 0.000 0.191 555 E C 1.548 178.092 176.600 -0.093 0.000 0.981 555 E CA 1.160 57.523 56.400 -0.062 0.000 0.830 555 E CB 0.146 29.816 29.700 -0.050 0.000 0.775 555 E HN 0.649 nan 8.360 nan 0.000 0.470 556 S N -1.526 114.091 115.700 -0.138 0.000 2.482 556 S HA 0.273 4.689 4.470 -0.089 0.000 0.303 556 S C 0.453 174.941 174.600 -0.186 0.000 1.091 556 S CA -0.363 57.733 58.200 -0.174 0.000 1.057 556 S CB 1.640 64.683 63.200 -0.261 0.000 1.031 556 S HN -0.010 nan 8.310 nan 0.000 0.485 557 T N 3.100 117.565 114.554 -0.148 0.000 3.188 557 T HA 0.363 4.659 4.350 -0.089 0.000 0.250 557 T C 0.633 175.239 174.700 -0.156 0.000 1.077 557 T CA 0.248 62.273 62.100 -0.125 0.000 0.967 557 T CB -0.993 67.831 68.868 -0.073 0.000 1.006 557 T HN 0.884 nan 8.240 nan 0.000 0.552 558 A N 2.378 125.036 122.820 -0.270 0.000 2.505 558 A HA 0.163 4.429 4.320 -0.089 0.000 0.271 558 A C 1.458 178.845 177.584 -0.327 0.000 1.112 558 A CA 0.018 51.856 52.037 -0.332 0.000 0.781 558 A CB -0.088 18.500 19.000 -0.686 0.000 1.059 558 A HN 0.618 nan 8.150 nan 0.000 0.508 559 D N 3.030 123.383 120.400 -0.078 0.000 2.421 559 D HA -0.200 4.386 4.640 -0.089 0.000 0.223 559 D C 0.947 177.312 176.300 0.108 0.000 0.979 559 D CA 1.468 55.475 54.000 0.013 0.000 0.959 559 D CB -0.130 40.713 40.800 0.071 0.000 0.874 559 D HN 0.879 nan 8.370 nan 0.000 0.513 560 W N -1.787 119.559 121.300 0.077 0.000 2.868 560 W HA 0.594 5.198 4.660 -0.092 0.000 0.320 560 W C 0.460 177.055 176.519 0.128 0.000 1.076 560 W CA 0.159 57.564 57.345 0.100 0.000 1.576 560 W CB -0.049 29.480 29.460 0.116 0.000 1.030 560 W HN 0.078 nan 8.180 nan 0.000 0.558 561 A N 1.073 123.572 122.820 -0.536 0.000 2.538 561 A HA 0.155 4.421 4.320 -0.089 0.000 0.269 561 A C 1.795 179.237 177.584 -0.236 0.000 1.231 561 A CA -0.120 51.623 52.037 -0.490 0.000 0.948 561 A CB -0.181 18.092 19.000 -1.211 0.000 1.110 561 A HN 0.143 nan 8.150 nan 0.000 0.529 562 K N 0.681 120.987 120.400 -0.156 0.000 1.985 562 K HA -0.109 4.157 4.320 -0.089 0.000 0.210 562 K C 1.034 177.622 176.600 -0.021 0.000 1.047 562 K CA 1.674 57.910 56.287 -0.085 0.000 0.932 562 K CB -0.119 32.352 32.500 -0.049 0.000 0.716 562 K HN 0.422 nan 8.250 nan 0.000 0.439 563 N N 0.932 119.646 118.700 0.024 0.000 2.412 563 N HA 0.023 4.710 4.740 -0.089 0.000 0.184 563 N C -0.117 175.440 175.510 0.079 0.000 1.101 563 N CA 0.185 53.262 53.050 0.046 0.000 0.881 563 N CB 0.072 38.589 38.487 0.050 0.000 0.969 563 N HN 0.170 nan 8.380 nan 0.000 0.459 564 L N 1.744 123.043 121.223 0.126 0.000 2.540 564 L HA 0.030 4.317 4.340 -0.089 0.000 0.276 564 L C 0.438 177.424 176.870 0.192 0.000 1.212 564 L CA 0.244 55.223 54.840 0.231 0.000 0.893 564 L CB 0.047 42.339 42.059 0.390 0.000 1.138 564 L HN -0.075 nan 8.230 nan 0.000 0.491 565 N N 3.002 121.812 118.700 0.184 0.000 2.426 565 N HA 0.133 4.819 4.740 -0.089 0.000 0.275 565 N C 0.807 176.447 175.510 0.215 0.000 1.019 565 N CA -0.325 52.797 53.050 0.120 0.000 0.941 565 N CB 2.000 40.507 38.487 0.033 0.000 1.123 565 N HN 0.540 nan 8.380 nan 0.000 0.486 566 R N 2.351 122.936 120.500 0.142 0.000 2.097 566 R HA -0.138 4.149 4.340 -0.089 0.000 0.236 566 R C 1.244 177.623 176.300 0.132 0.000 1.135 566 R CA 1.446 57.613 56.100 0.112 0.000 0.934 566 R CB 0.053 30.307 30.300 -0.076 0.000 0.846 566 R HN 0.556 nan 8.270 nan 0.000 0.431 567 E N 0.492 120.711 120.200 0.031 0.000 2.219 567 E HA -0.194 4.102 4.350 -0.089 0.000 0.198 567 E C 1.082 177.679 176.600 -0.006 0.000 0.998 567 E CA 1.233 57.634 56.400 0.002 0.000 0.818 567 E CB -0.239 29.451 29.700 -0.016 0.000 0.741 567 E HN 0.393 nan 8.360 nan 0.000 0.477 568 D N -0.661 119.713 120.400 -0.044 0.000 2.411 568 D HA -0.074 4.512 4.640 -0.089 0.000 0.226 568 D C -0.383 175.606 176.300 -0.518 0.000 0.988 568 D CA 0.691 54.525 54.000 -0.276 0.000 0.938 568 D CB -0.265 40.299 40.800 -0.394 0.000 0.883 568 D HN 0.032 nan 8.370 nan 0.000 0.525 569 F N -0.542 119.379 119.950 -0.049 0.000 2.593 569 F HA 0.508 4.982 4.527 -0.088 0.000 0.320 569 F C 0.656 176.424 175.800 -0.053 0.000 1.060 569 F CA -1.052 56.917 58.000 -0.052 0.000 0.940 569 F CB 1.639 40.629 39.000 -0.016 0.000 1.268 569 F HN -0.520 nan 8.300 nan 0.000 0.475 570 R N 1.708 122.302 120.500 0.158 0.000 2.725 570 R HA 0.612 4.898 4.340 -0.089 0.000 0.277 570 R C -1.514 174.836 176.300 0.083 0.000 0.987 570 R CA -0.955 55.193 56.100 0.080 0.000 0.901 570 R CB 2.505 32.827 30.300 0.036 0.000 1.207 570 R HN 0.602 nan 8.270 nan 0.000 0.463 571 L N 2.830 124.095 121.223 0.070 0.000 2.325 571 L HA 0.503 4.789 4.340 -0.089 0.000 0.279 571 L C 0.134 177.052 176.870 0.079 0.000 1.054 571 L CA -0.767 54.120 54.840 0.078 0.000 0.804 571 L CB 0.868 42.974 42.059 0.078 0.000 1.200 571 L HN 0.277 nan 8.230 nan 0.000 0.436 572 L N 2.583 123.870 121.223 0.106 0.000 2.272 572 L HA 0.321 4.607 4.340 -0.089 0.000 0.284 572 L C -0.073 176.842 176.870 0.075 0.000 1.045 572 L CA -0.536 54.395 54.840 0.151 0.000 0.842 572 L CB 0.797 43.035 42.059 0.299 0.000 1.224 572 L HN 0.751 nan 8.230 nan 0.000 0.430 573 c N 2.387 121.001 118.600 0.024 0.000 2.640 573 c HA 0.114 4.630 4.570 -0.089 0.000 0.330 573 c C 2.067 176.059 174.090 -0.164 0.000 1.416 573 c CA -0.559 55.720 56.329 -0.082 0.000 2.396 573 c CB 0.562 43.038 42.510 -0.056 0.000 2.330 573 c HN 0.774 nan 8.230 nan 0.000 0.704 574 L N 0.136 121.200 121.223 -0.265 0.000 2.477 574 L HA 0.024 4.310 4.340 -0.089 0.000 0.220 574 L C 1.793 178.601 176.870 -0.104 0.000 1.106 574 L CA 0.838 55.458 54.840 -0.367 0.000 0.851 574 L CB -0.504 41.291 42.059 -0.440 0.000 0.994 574 L HN 0.738 nan 8.230 nan 0.000 0.462 575 D N 0.567 120.937 120.400 -0.051 0.000 2.104 575 D HA -0.123 4.463 4.640 -0.089 0.000 0.194 575 D C 1.471 177.815 176.300 0.073 0.000 0.994 575 D CA 1.502 55.507 54.000 0.007 0.000 0.830 575 D CB -0.114 40.685 40.800 -0.001 0.000 0.959 575 D HN 0.301 nan 8.370 nan 0.000 0.452 576 G N -0.644 108.216 108.800 0.100 0.000 2.215 576 G HA2 -0.066 3.840 3.960 -0.089 0.000 0.187 576 G HA3 -0.066 3.840 3.960 -0.089 0.000 0.187 576 G C 0.152 175.115 174.900 0.105 0.000 1.039 576 G CA 0.048 45.238 45.100 0.150 0.000 0.771 576 G HN 0.580 nan 8.290 nan 0.000 0.507 577 T N -0.661 113.940 114.554 0.079 0.000 2.942 577 T HA 0.794 5.091 4.350 -0.089 0.000 0.289 577 T C -0.108 174.628 174.700 0.061 0.000 1.044 577 T CA -0.439 61.694 62.100 0.055 0.000 1.023 577 T CB 1.566 70.453 68.868 0.031 0.000 1.123 577 T HN 0.746 nan 8.240 nan 0.000 0.512 578 R N 1.989 122.518 120.500 0.048 0.000 2.534 578 R HA 0.649 4.936 4.340 -0.089 0.000 0.301 578 R C -0.904 175.416 176.300 0.033 0.000 0.961 578 R CA -1.056 55.072 56.100 0.047 0.000 0.871 578 R CB 1.754 32.081 30.300 0.046 0.000 1.170 578 R HN 0.559 nan 8.270 nan 0.000 0.446 579 K N 2.145 122.565 120.400 0.035 0.000 2.306 579 K HA 0.556 4.822 4.320 -0.089 0.000 0.236 579 K C -2.630 173.990 176.600 0.032 0.000 1.013 579 K CA -2.246 54.060 56.287 0.031 0.000 0.857 579 K CB 2.383 34.903 32.500 0.032 0.000 1.214 579 K HN 0.374 nan 8.250 nan 0.000 0.449 580 P HA 0.012 nan 4.420 nan 0.000 0.290 580 P C 0.894 178.198 177.300 0.006 0.000 1.276 580 P CA -0.520 62.585 63.100 0.008 0.000 0.808 580 P CB 0.841 32.542 31.700 0.002 0.000 0.966 581 V N 1.066 120.950 119.914 -0.050 0.000 2.736 581 V HA -0.282 3.784 4.120 -0.089 0.000 0.262 581 V C 1.464 177.595 176.094 0.062 0.000 1.114 581 V CA 2.657 64.912 62.300 -0.073 0.000 1.133 581 V CB -2.458 29.154 31.823 -0.352 0.000 0.703 581 V HN 0.616 nan 8.190 nan 0.000 0.495 582 T N 0.166 114.751 114.554 0.052 0.000 2.857 582 T HA -0.080 4.216 4.350 -0.089 0.000 0.266 582 T C 1.198 176.039 174.700 0.237 0.000 1.048 582 T CA 1.342 63.597 62.100 0.259 0.000 1.139 582 T CB -0.515 68.457 68.868 0.174 0.000 0.874 582 T HN 0.774 nan 8.240 nan 0.000 0.455 583 E N 1.618 121.905 120.200 0.144 0.000 2.354 583 E HA 0.518 4.814 4.350 -0.089 0.000 0.252 583 E C 0.768 177.443 176.600 0.125 0.000 1.330 583 E CA -0.257 56.214 56.400 0.118 0.000 1.658 583 E CB 0.192 29.937 29.700 0.075 0.000 1.460 583 E HN 0.551 nan 8.360 nan 0.000 0.435 584 A N 1.433 124.360 122.820 0.178 0.000 2.276 584 A HA -0.107 4.160 4.320 -0.089 0.000 0.212 584 A C 1.959 179.690 177.584 0.246 0.000 1.230 584 A CA 0.059 52.215 52.037 0.198 0.000 0.844 584 A CB -0.299 18.846 19.000 0.241 0.000 0.860 584 A HN 0.354 nan 8.150 nan 0.000 0.486 585 Q N -0.347 119.565 119.800 0.185 0.000 2.482 585 Q HA 0.024 4.311 4.340 -0.089 0.000 0.209 585 Q C 0.426 176.549 176.000 0.205 0.000 0.961 585 Q CA 1.398 57.312 55.803 0.184 0.000 0.945 585 Q CB -0.080 28.720 28.738 0.103 0.000 1.012 585 Q HN 0.401 nan 8.270 nan 0.000 0.515 586 S N -1.348 114.424 115.700 0.119 0.000 3.067 586 S HA 0.207 4.624 4.470 -0.089 0.000 0.253 586 S C -0.202 174.318 174.600 -0.134 0.000 0.942 586 S CA -0.376 57.803 58.200 -0.035 0.000 1.197 586 S CB 0.387 63.582 63.200 -0.009 0.000 1.143 586 S HN 0.367 nan 8.310 nan 0.000 0.638 587 c N 3.329 121.873 118.600 -0.094 0.000 3.158 587 c HA 0.525 5.041 4.570 -0.089 0.000 0.228 587 c C -0.123 173.938 174.090 -0.048 0.000 2.110 587 c CA -0.408 55.862 56.329 -0.097 0.000 1.407 587 c CB -1.713 40.796 42.510 -0.002 0.000 2.635 587 c HN 0.776 nan 8.230 nan 0.000 0.509 588 H N -1.327 117.727 119.070 -0.027 0.000 2.710 588 H HA 0.594 5.097 4.556 -0.089 0.000 0.361 588 H C 0.634 175.904 175.328 -0.097 0.000 1.175 588 H CA -1.084 54.948 56.048 -0.026 0.000 1.206 588 H CB 0.592 30.357 29.762 0.004 0.000 1.750 588 H HN 0.053 nan 8.280 nan 0.000 0.553 589 L N -0.089 121.156 121.223 0.038 0.000 2.446 589 L HA 0.470 4.756 4.340 -0.089 0.000 0.219 589 L C 0.543 177.392 176.870 -0.035 0.000 1.116 589 L CA 0.772 55.544 54.840 -0.113 0.000 0.844 589 L CB -0.317 41.651 42.059 -0.151 0.000 0.970 589 L HN 0.907 nan 8.230 nan 0.000 0.457 590 A N -0.905 121.989 122.820 0.123 0.000 2.479 590 A HA 0.434 4.700 4.320 -0.089 0.000 0.297 590 A C -1.346 176.206 177.584 -0.054 0.000 0.967 590 A CA -0.638 51.424 52.037 0.041 0.000 0.606 590 A CB 0.414 19.349 19.000 -0.110 0.000 1.382 590 A HN -0.241 nan 8.150 nan 0.000 0.457 591 V N 0.655 120.496 119.914 -0.121 0.000 2.407 591 V HA 0.693 4.759 4.120 -0.089 0.000 0.278 591 V C 0.689 176.640 176.094 -0.240 0.000 1.037 591 V CA 0.269 62.454 62.300 -0.192 0.000 0.900 591 V CB 0.938 32.675 31.823 -0.143 0.000 0.983 591 V HN 1.820 nan 8.190 nan 0.000 0.459 592 A N 7.248 129.840 122.820 -0.379 0.000 2.355 592 A HA 0.960 5.227 4.320 -0.089 0.000 0.324 592 A C -2.779 174.573 177.584 -0.386 0.000 1.117 592 A CA -2.004 49.773 52.037 -0.434 0.000 0.785 592 A CB 1.555 20.114 19.000 -0.734 0.000 1.254 592 A HN 0.625 nan 8.150 nan 0.000 0.453 593 P HA 0.189 nan 4.420 nan 0.000 0.280 593 P C -0.709 176.672 177.300 0.135 0.000 1.244 593 P CA -0.350 62.664 63.100 -0.144 0.000 0.784 593 P CB 0.339 31.812 31.700 -0.378 0.000 0.913 594 N N 1.306 120.197 118.700 0.318 0.000 2.345 594 N HA -0.045 4.641 4.740 -0.089 0.000 0.243 594 N C 0.483 176.397 175.510 0.674 0.000 1.246 594 N CA 0.421 53.826 53.050 0.593 0.000 0.863 594 N CB -0.306 38.444 38.487 0.440 0.000 1.096 594 N HN 0.445 nan 8.380 nan 0.000 0.446 595 H N 0.063 119.400 119.070 0.446 0.000 2.852 595 H HA 0.347 4.847 4.556 -0.094 0.000 0.362 595 H C -0.100 175.427 175.328 0.330 0.000 1.122 595 H CA -0.201 56.072 56.048 0.374 0.000 1.419 595 H CB 0.565 30.509 29.762 0.304 0.000 1.401 595 H HN 0.586 nan 8.280 nan 0.000 0.609 596 A N 1.896 124.944 122.820 0.379 0.000 2.566 596 A HA 0.402 4.669 4.320 -0.089 0.000 0.292 596 A C -0.787 176.904 177.584 0.178 0.000 1.112 596 A CA -0.728 51.424 52.037 0.191 0.000 0.707 596 A CB 1.305 20.227 19.000 -0.130 0.000 1.302 596 A HN 0.437 nan 8.150 nan 0.000 0.409 597 V N 2.291 122.301 119.914 0.160 0.000 2.370 597 V HA 0.332 4.399 4.120 -0.089 0.000 0.257 597 V C 0.748 176.861 176.094 0.031 0.000 1.064 597 V CA 0.111 62.508 62.300 0.163 0.000 0.975 597 V CB 0.151 32.149 31.823 0.290 0.000 1.067 597 V HN 0.966 nan 8.190 nan 0.000 0.485 598 V N 3.971 123.871 119.914 -0.023 0.000 3.214 598 V HA 0.983 5.049 4.120 -0.089 0.000 0.306 598 V C 0.137 176.177 176.094 -0.090 0.000 1.078 598 V CA 0.394 62.667 62.300 -0.044 0.000 1.077 598 V CB 1.798 33.596 31.823 -0.041 0.000 1.121 598 V HN 1.135 nan 8.190 nan 0.000 0.468 599 S N 2.275 117.936 115.700 -0.064 0.000 2.688 599 S HA 0.415 4.831 4.470 -0.089 0.000 0.266 599 S C -1.421 173.159 174.600 -0.033 0.000 1.061 599 S CA -0.822 57.337 58.200 -0.068 0.000 0.844 599 S CB 0.807 63.982 63.200 -0.042 0.000 1.103 599 S HN 1.247 nan 8.310 nan 0.000 0.471 600 L N 3.105 124.313 121.223 -0.024 0.000 2.380 600 L HA 0.485 4.772 4.340 -0.089 0.000 0.273 600 L C 1.957 178.833 176.870 0.010 0.000 1.138 600 L CA 0.852 55.688 54.840 -0.007 0.000 0.832 600 L CB 0.809 42.865 42.059 -0.005 0.000 1.124 600 L HN 1.086 nan 8.230 nan 0.000 0.454 601 S N 3.178 118.885 115.700 0.012 0.000 2.368 601 S HA -0.208 4.209 4.470 -0.089 0.000 0.226 601 S C 1.201 175.816 174.600 0.025 0.000 1.044 601 S CA 1.419 59.630 58.200 0.018 0.000 1.062 601 S CB -0.520 62.689 63.200 0.015 0.000 0.931 601 S HN 0.742 nan 8.310 nan 0.000 0.440 602 E N 1.331 121.544 120.200 0.021 0.000 2.331 602 E HA -0.108 4.188 4.350 -0.089 0.000 0.199 602 E C 1.583 178.208 176.600 0.041 0.000 1.008 602 E CA 0.646 57.060 56.400 0.023 0.000 0.843 602 E CB -0.301 29.407 29.700 0.014 0.000 0.761 602 E HN 0.482 nan 8.360 nan 0.000 0.507 603 R N -0.019 120.513 120.500 0.054 0.000 2.307 603 R HA 0.329 4.616 4.340 -0.089 0.000 0.200 603 R C 2.146 178.507 176.300 0.102 0.000 0.893 603 R CA 0.709 56.868 56.100 0.098 0.000 1.042 603 R CB -0.493 29.858 30.300 0.085 0.000 1.059 603 R HN 0.181 nan 8.270 nan 0.000 0.530 604 A N 2.041 124.900 122.820 0.064 0.000 1.894 604 A HA -0.284 3.983 4.320 -0.089 0.000 0.220 604 A C 2.346 179.974 177.584 0.073 0.000 1.237 604 A CA 2.700 54.771 52.037 0.057 0.000 0.660 604 A CB -0.882 18.142 19.000 0.041 0.000 0.835 604 A HN 0.326 nan 8.150 nan 0.000 0.461 605 A N -1.598 121.271 122.820 0.081 0.000 1.908 605 A HA -0.184 4.082 4.320 -0.089 0.000 0.218 605 A C 2.085 179.744 177.584 0.126 0.000 1.181 605 A CA 2.361 54.450 52.037 0.087 0.000 0.627 605 A CB -0.892 18.153 19.000 0.075 0.000 0.818 605 A HN 0.852 nan 8.150 nan 0.000 0.445 606 H N -0.408 118.685 119.070 0.037 0.000 2.299 606 H HA -0.044 4.458 4.556 -0.089 0.000 0.302 606 H C 1.888 177.257 175.328 0.068 0.000 1.078 606 H CA 1.942 58.015 56.048 0.042 0.000 1.323 606 H CB -0.483 29.296 29.762 0.029 0.000 1.381 606 H HN 0.087 nan 8.280 nan 0.000 0.498 607 V N 1.233 121.111 119.914 -0.061 0.000 2.287 607 V HA -0.284 3.782 4.120 -0.089 0.000 0.248 607 V C 2.464 178.574 176.094 0.025 0.000 1.053 607 V CA 2.376 64.633 62.300 -0.072 0.000 1.027 607 V CB -0.728 31.121 31.823 0.044 0.000 0.646 607 V HN 0.745 nan 8.190 nan 0.000 0.447 608 E N -0.520 119.719 120.200 0.065 0.000 2.204 608 E HA -0.293 4.003 4.350 -0.089 0.000 0.195 608 E C 2.079 178.726 176.600 0.080 0.000 0.990 608 E CA 1.395 57.851 56.400 0.093 0.000 0.821 608 E CB -0.270 29.477 29.700 0.080 0.000 0.750 608 E HN 0.486 nan 8.360 nan 0.000 0.477 609 Q N 0.780 120.607 119.800 0.044 0.000 1.994 609 Q HA -0.059 4.228 4.340 -0.089 0.000 0.198 609 Q C 2.353 178.383 176.000 0.050 0.000 0.976 609 Q CA 1.852 57.683 55.803 0.046 0.000 0.828 609 Q CB -0.501 28.275 28.738 0.062 0.000 0.894 609 Q HN 0.337 nan 8.270 nan 0.000 0.432 610 V N 0.857 120.762 119.914 -0.015 0.000 2.295 610 V HA -0.254 3.812 4.120 -0.089 0.000 0.246 610 V C 2.471 178.668 176.094 0.173 0.000 1.049 610 V CA 1.608 63.934 62.300 0.044 0.000 1.024 610 V CB -0.723 31.047 31.823 -0.089 0.000 0.648 610 V HN 0.312 nan 8.190 nan 0.000 0.447 611 L N -0.654 120.680 121.223 0.185 0.000 2.187 611 L HA -0.171 4.115 4.340 -0.089 0.000 0.213 611 L C 2.407 179.420 176.870 0.239 0.000 1.100 611 L CA 1.175 56.183 54.840 0.280 0.000 0.765 611 L CB -0.334 41.929 42.059 0.340 0.000 0.904 611 L HN 0.347 nan 8.230 nan 0.000 0.437 612 L N -1.146 120.192 121.223 0.192 0.000 2.217 612 L HA -0.238 4.048 4.340 -0.089 0.000 0.211 612 L C 2.373 179.363 176.870 0.199 0.000 1.107 612 L CA 1.433 56.371 54.840 0.164 0.000 0.783 612 L CB -0.815 41.320 42.059 0.126 0.000 0.919 612 L HN 0.474 nan 8.230 nan 0.000 0.442 613 H N -0.703 118.425 119.070 0.096 0.000 2.317 613 H HA -0.111 4.392 4.556 -0.089 0.000 0.304 613 H C 2.157 177.558 175.328 0.121 0.000 1.067 613 H CA 0.802 56.900 56.048 0.082 0.000 1.352 613 H CB 0.641 30.448 29.762 0.075 0.000 1.398 613 H HN 0.247 nan 8.280 nan 0.000 0.510 614 Q N 0.941 120.886 119.800 0.241 0.000 2.014 614 Q HA -0.255 4.032 4.340 -0.089 0.000 0.207 614 Q C 2.340 178.496 176.000 0.260 0.000 0.993 614 Q CA 1.869 57.905 55.803 0.388 0.000 0.850 614 Q CB -1.002 28.124 28.738 0.647 0.000 0.916 614 Q HN 0.650 nan 8.270 nan 0.000 0.417 615 Q N 0.294 120.187 119.800 0.154 0.000 2.156 615 Q HA -0.222 4.065 4.340 -0.089 0.000 0.211 615 Q C 1.857 177.837 176.000 -0.034 0.000 0.995 615 Q CA 2.189 57.996 55.803 0.007 0.000 0.877 615 Q CB -0.279 28.537 28.738 0.129 0.000 0.920 615 Q HN 0.341 nan 8.270 nan 0.000 0.416 616 A N 0.761 123.568 122.820 -0.021 0.000 1.972 616 A HA -0.097 4.170 4.320 -0.089 0.000 0.219 616 A C 2.078 179.537 177.584 -0.209 0.000 1.169 616 A CA 1.329 53.317 52.037 -0.081 0.000 0.635 616 A CB -0.483 18.491 19.000 -0.043 0.000 0.810 616 A HN 0.485 nan 8.150 nan 0.000 0.446 617 L N -2.227 118.782 121.223 -0.356 0.000 2.095 617 L HA 0.019 4.306 4.340 -0.089 0.000 0.204 617 L C 0.385 176.765 176.870 -0.817 0.000 1.080 617 L CA 0.833 55.216 54.840 -0.762 0.000 0.759 617 L CB -0.212 41.048 42.059 -1.331 0.000 0.914 617 L HN 0.489 nan 8.230 nan 0.000 0.439 618 F N -0.526 119.307 119.950 -0.196 0.000 2.688 618 F HA 0.539 5.016 4.527 -0.083 0.000 0.376 618 F C 0.576 176.056 175.800 -0.534 0.000 1.428 618 F CA -0.918 56.899 58.000 -0.305 0.000 1.156 618 F CB -0.461 38.389 39.000 -0.249 0.000 1.141 618 F HN -0.195 nan 8.300 nan 0.000 0.521 619 G N -0.330 108.318 108.800 -0.253 0.000 3.119 619 G HA2 0.349 4.255 3.960 -0.089 0.000 0.206 619 G HA3 0.349 4.255 3.960 -0.089 0.000 0.206 619 G C 0.375 175.212 174.900 -0.104 0.000 1.313 619 G CA -0.253 44.683 45.100 -0.274 0.000 1.010 619 G HN 0.060 nan 8.290 nan 0.000 0.578 620 E N 0.341 120.543 120.200 0.003 0.000 2.026 620 E HA -0.203 4.093 4.350 -0.089 0.000 0.206 620 E C 2.124 178.702 176.600 -0.037 0.000 1.028 620 E CA 2.342 58.736 56.400 -0.009 0.000 0.845 620 E CB -0.338 29.369 29.700 0.012 0.000 0.772 620 E HN 0.590 nan 8.360 nan 0.000 0.462 621 N N -0.518 118.162 118.700 -0.032 0.000 2.322 621 N HA 0.167 4.854 4.740 -0.089 0.000 0.194 621 N C 0.709 176.180 175.510 -0.065 0.000 1.126 621 N CA 0.421 53.446 53.050 -0.042 0.000 0.845 621 N CB 0.240 38.710 38.487 -0.028 0.000 0.976 621 N HN 0.162 nan 8.380 nan 0.000 0.475 622 G N 0.974 109.722 108.800 -0.088 0.000 2.855 622 G HA2 -0.128 3.778 3.960 -0.089 0.000 0.248 622 G HA3 -0.128 3.778 3.960 -0.089 0.000 0.248 622 G C 0.580 175.397 174.900 -0.138 0.000 1.243 622 G CA -0.291 44.728 45.100 -0.134 0.000 0.881 622 G HN 0.332 nan 8.290 nan 0.000 0.598 623 K N -0.797 119.488 120.400 -0.191 0.000 2.190 623 K HA 0.055 4.322 4.320 -0.089 0.000 0.202 623 K C 1.166 177.663 176.600 -0.170 0.000 1.045 623 K CA 0.448 56.637 56.287 -0.164 0.000 0.976 623 K CB 0.095 32.492 32.500 -0.171 0.000 0.849 623 K HN 0.361 nan 8.250 nan 0.000 0.468 624 N N 0.618 119.156 118.700 -0.270 0.000 2.295 624 N HA 0.030 4.716 4.740 -0.089 0.000 0.221 624 N C 0.602 176.092 175.510 -0.033 0.000 1.129 624 N CA -0.047 52.891 53.050 -0.187 0.000 0.836 624 N CB -0.126 38.175 38.487 -0.309 0.000 1.040 624 N HN 0.192 nan 8.380 nan 0.000 0.494 625 c N 1.119 119.681 118.600 -0.064 0.000 3.244 625 c HA 0.071 4.587 4.570 -0.089 0.000 0.291 625 c C -0.320 173.745 174.090 -0.041 0.000 1.295 625 c CA 0.635 56.947 56.329 -0.028 0.000 1.739 625 c CB -0.874 41.574 42.510 -0.103 0.000 2.165 625 c HN 0.250 nan 8.230 nan 0.000 0.497 626 P HA -0.165 nan 4.420 nan 0.000 0.219 626 P C 0.668 177.953 177.300 -0.025 0.000 1.161 626 P CA 2.602 65.673 63.100 -0.049 0.000 0.909 626 P CB -0.289 31.384 31.700 -0.044 0.000 0.793 627 D N -1.449 118.947 120.400 -0.006 0.000 2.201 627 D HA -0.038 4.548 4.640 -0.089 0.000 0.209 627 D C 1.697 178.028 176.300 0.052 0.000 0.961 627 D CA 1.125 55.133 54.000 0.014 0.000 0.861 627 D CB -0.775 40.029 40.800 0.007 0.000 0.997 627 D HN 0.185 nan 8.370 nan 0.000 0.486 628 K N -1.300 119.157 120.400 0.096 0.000 2.168 628 K HA 0.204 4.471 4.320 -0.089 0.000 0.201 628 K C -0.351 176.432 176.600 0.306 0.000 1.049 628 K CA 0.232 56.625 56.287 0.177 0.000 0.974 628 K CB 0.769 33.383 32.500 0.191 0.000 0.792 628 K HN 0.126 nan 8.250 nan 0.000 0.463 629 F N -0.114 119.920 119.950 0.140 0.000 2.770 629 F HA 0.179 4.649 4.527 -0.096 0.000 0.334 629 F C -1.939 173.853 175.800 -0.012 0.000 1.116 629 F CA -1.169 56.841 58.000 0.016 0.000 1.152 629 F CB 0.336 39.258 39.000 -0.131 0.000 1.418 629 F HN -0.234 nan 8.300 nan 0.000 0.618 630 c N 7.557 125.629 118.600 -0.880 0.000 2.246 630 c HA 0.334 4.850 4.570 -0.089 0.000 0.329 630 c C 1.537 174.787 174.090 -1.400 0.000 1.221 630 c CA -0.565 55.271 56.329 -0.822 0.000 1.697 630 c CB 0.065 42.308 42.510 -0.446 0.000 2.312 630 c HN 0.961 nan 8.230 nan 0.000 0.509 631 L N 3.837 124.244 121.223 -1.360 0.000 2.012 631 L HA -0.038 4.248 4.340 -0.089 0.000 0.210 631 L C 1.425 177.811 176.870 -0.806 0.000 1.073 631 L CA 2.314 56.343 54.840 -1.351 0.000 0.748 631 L CB -0.545 40.594 42.059 -1.534 0.000 0.891 631 L HN 0.659 nan 8.230 nan 0.000 0.431 632 F N -0.822 118.859 119.950 -0.447 0.000 2.663 632 F HA 0.322 4.792 4.527 -0.094 0.000 0.299 632 F C 0.499 176.191 175.800 -0.181 0.000 1.143 632 F CA -0.592 57.254 58.000 -0.258 0.000 1.387 632 F CB -0.783 38.057 39.000 -0.267 0.000 1.019 632 F HN -0.103 nan 8.300 nan 0.000 0.523 633 K N 0.346 120.673 120.400 -0.122 0.000 2.449 633 K HA 0.326 4.592 4.320 -0.089 0.000 0.257 633 K C 0.655 177.202 176.600 -0.088 0.000 0.989 633 K CA -0.206 56.021 56.287 -0.099 0.000 0.916 633 K CB 1.028 33.438 32.500 -0.150 0.000 1.136 633 K HN 0.008 nan 8.250 nan 0.000 0.439 634 S N 1.675 117.362 115.700 -0.021 0.000 2.593 634 S HA 0.154 4.571 4.470 -0.089 0.000 0.236 634 S C -0.467 174.140 174.600 0.012 0.000 0.991 634 S CA -0.402 57.801 58.200 0.005 0.000 0.963 634 S CB -0.289 62.942 63.200 0.051 0.000 0.865 634 S HN 0.613 nan 8.310 nan 0.000 0.488 635 E N 1.559 121.753 120.200 -0.009 0.000 2.298 635 E HA -0.156 4.140 4.350 -0.089 0.000 0.235 635 E C 0.513 177.118 176.600 0.008 0.000 1.167 635 E CA 0.788 57.183 56.400 -0.008 0.000 0.708 635 E CB -2.567 27.134 29.700 0.002 0.000 1.236 635 E HN 1.063 nan 8.360 nan 0.000 0.386 636 T N -3.484 111.071 114.554 0.001 0.000 7.714 636 T HA -0.415 3.881 4.350 -0.089 0.000 0.312 636 T C 0.713 175.460 174.700 0.078 0.000 1.937 636 T CA 2.160 64.267 62.100 0.012 0.000 2.886 636 T CB -0.977 67.872 68.868 -0.031 0.000 2.426 636 T HN 0.397 nan 8.240 nan 0.000 1.226 637 K N 1.250 121.706 120.400 0.094 0.000 2.437 637 K HA 0.305 4.572 4.320 -0.089 0.000 0.205 637 K C 0.592 177.279 176.600 0.144 0.000 1.026 637 K CA -0.010 56.361 56.287 0.141 0.000 1.153 637 K CB -0.056 32.524 32.500 0.134 0.000 0.863 637 K HN 0.470 nan 8.250 nan 0.000 0.502 638 N N 1.726 120.498 118.700 0.119 0.000 2.700 638 N HA -0.232 4.455 4.740 -0.089 0.000 0.265 638 N C -1.070 174.530 175.510 0.150 0.000 0.975 638 N CA 0.972 54.099 53.050 0.129 0.000 0.800 638 N CB -0.706 37.880 38.487 0.165 0.000 0.908 638 N HN 0.337 nan 8.380 nan 0.000 0.551 639 L N 0.778 122.077 121.223 0.128 0.000 2.307 639 L HA 0.282 4.568 4.340 -0.089 0.000 0.282 639 L C 2.011 178.937 176.870 0.094 0.000 1.051 639 L CA -0.702 54.211 54.840 0.122 0.000 0.804 639 L CB 1.114 43.237 42.059 0.106 0.000 1.197 639 L HN 0.231 nan 8.230 nan 0.000 0.431 640 L N 1.151 122.403 121.223 0.049 0.000 4.252 640 L HA -0.345 3.941 4.340 -0.089 0.000 0.370 640 L C -0.447 176.133 176.870 -0.484 0.000 0.743 640 L CA 1.854 56.591 54.840 -0.171 0.000 2.767 640 L CB -0.943 40.983 42.059 -0.222 0.000 0.809 640 L HN 0.505 nan 8.230 nan 0.000 0.696 641 F N -1.294 118.741 119.950 0.142 0.000 2.645 641 F HA 0.426 4.908 4.527 -0.075 0.000 0.310 641 F C 0.472 176.285 175.800 0.022 0.000 1.102 641 F CA -1.023 57.032 58.000 0.092 0.000 0.952 641 F CB 0.678 39.734 39.000 0.093 0.000 1.326 641 F HN -0.207 nan 8.300 nan 0.000 0.456 642 N N 2.070 120.843 118.700 0.122 0.000 2.468 642 N HA 0.037 4.724 4.740 -0.089 0.000 0.265 642 N C 0.679 176.181 175.510 -0.014 0.000 1.199 642 N CA 0.295 53.337 53.050 -0.013 0.000 0.928 642 N CB 0.719 39.102 38.487 -0.173 0.000 1.059 642 N HN 0.619 nan 8.380 nan 0.000 0.467 643 D N 1.623 122.019 120.400 -0.006 0.000 2.106 643 D HA -0.244 4.342 4.640 -0.089 0.000 0.191 643 D C 0.989 177.253 176.300 -0.059 0.000 0.997 643 D CA 1.343 55.337 54.000 -0.011 0.000 0.834 643 D CB -0.074 40.712 40.800 -0.023 0.000 0.956 643 D HN 0.741 nan 8.370 nan 0.000 0.448 644 N N 0.621 119.257 118.700 -0.108 0.000 2.724 644 N HA -0.090 4.596 4.740 -0.089 0.000 0.198 644 N C -0.248 175.173 175.510 -0.148 0.000 1.301 644 N CA 0.425 53.394 53.050 -0.135 0.000 0.942 644 N CB 0.036 38.415 38.487 -0.179 0.000 1.033 644 N HN -0.104 nan 8.380 nan 0.000 0.447 645 T N 0.240 114.695 114.554 -0.166 0.000 2.889 645 T HA 0.020 4.316 4.350 -0.089 0.000 0.291 645 T C 0.697 175.260 174.700 -0.228 0.000 0.995 645 T CA -0.566 61.385 62.100 -0.247 0.000 1.092 645 T CB 1.888 70.510 68.868 -0.411 0.000 0.954 645 T HN 0.298 nan 8.240 nan 0.000 0.506 646 E N 0.351 120.432 120.200 -0.197 0.000 2.307 646 E HA 0.146 4.442 4.350 -0.089 0.000 0.195 646 E C 0.465 177.010 176.600 -0.092 0.000 0.975 646 E CA 0.068 56.407 56.400 -0.101 0.000 0.878 646 E CB 0.383 30.045 29.700 -0.064 0.000 0.845 646 E HN 0.812 nan 8.360 nan 0.000 0.488 647 c N -1.641 116.807 118.600 -0.253 0.000 3.045 647 c HA 0.362 4.879 4.570 -0.089 0.000 0.338 647 c C -1.531 172.404 174.090 -0.260 0.000 1.267 647 c CA -1.320 54.894 56.329 -0.192 0.000 1.177 647 c CB -0.084 42.428 42.510 0.003 0.000 1.380 647 c HN 0.109 nan 8.230 nan 0.000 0.469 648 L N 2.791 123.933 121.223 -0.135 0.000 2.283 648 L HA 0.614 4.901 4.340 -0.089 0.000 0.287 648 L C 0.882 177.762 176.870 0.016 0.000 1.073 648 L CA 0.256 55.067 54.840 -0.048 0.000 0.822 648 L CB 0.884 42.981 42.059 0.063 0.000 1.186 648 L HN 1.000 nan 8.230 nan 0.000 0.436 649 A N 3.928 126.757 122.820 0.015 0.000 2.306 649 A HA 0.614 4.880 4.320 -0.089 0.000 0.330 649 A C -0.245 177.363 177.584 0.039 0.000 1.146 649 A CA -0.643 51.411 52.037 0.028 0.000 0.827 649 A CB 1.406 20.419 19.000 0.022 0.000 1.178 649 A HN 0.589 nan 8.150 nan 0.000 0.490 650 K N -0.299 120.123 120.400 0.036 0.000 2.118 650 K HA 0.657 4.924 4.320 -0.089 0.000 0.240 650 K C -1.066 175.553 176.600 0.032 0.000 1.035 650 K CA -0.000 56.307 56.287 0.035 0.000 0.899 650 K CB 0.250 32.770 32.500 0.033 0.000 1.085 650 K HN 0.571 nan 8.250 nan 0.000 0.498 651 L N 0.334 121.574 121.223 0.028 0.000 2.528 651 L HA 0.483 4.769 4.340 -0.089 0.000 0.267 651 L C 0.232 177.123 176.870 0.035 0.000 0.961 651 L CA -1.378 53.484 54.840 0.037 0.000 0.866 651 L CB 1.497 43.571 42.059 0.025 0.000 1.248 651 L HN 0.616 nan 8.230 nan 0.000 0.404 652 G N 1.335 110.158 108.800 0.039 0.000 2.238 652 G HA2 0.350 4.256 3.960 -0.089 0.000 0.234 652 G HA3 0.350 4.256 3.960 -0.089 0.000 0.234 652 G C 0.772 175.691 174.900 0.032 0.000 1.181 652 G CA 0.754 45.874 45.100 0.032 0.000 0.871 652 G HN 1.410 nan 8.290 nan 0.000 0.490 653 G N 1.719 110.534 108.800 0.025 0.000 2.569 653 G HA2 -0.271 3.636 3.960 -0.089 0.000 0.259 653 G HA3 -0.271 3.636 3.960 -0.089 0.000 0.259 653 G C 0.535 175.447 174.900 0.022 0.000 1.263 653 G CA 0.570 45.683 45.100 0.022 0.000 0.928 653 G HN 1.146 nan 8.290 nan 0.000 0.572 654 R N 0.844 121.356 120.500 0.019 0.000 2.776 654 R HA 0.381 4.668 4.340 -0.089 0.000 0.391 654 R C -2.132 174.179 176.300 0.018 0.000 1.116 654 R CA -0.951 55.160 56.100 0.017 0.000 1.056 654 R CB 0.215 30.524 30.300 0.015 0.000 1.369 654 R HN 0.474 nan 8.270 nan 0.000 0.590 655 P HA -0.115 nan 4.420 nan 0.000 0.265 655 P C -0.049 177.273 177.300 0.037 0.000 1.167 655 P CA 0.667 63.792 63.100 0.041 0.000 0.760 655 P CB 0.585 32.333 31.700 0.080 0.000 0.783 656 T N -0.630 113.937 114.554 0.021 0.000 2.897 656 T HA 0.282 4.578 4.350 -0.089 0.000 0.278 656 T C 1.202 175.932 174.700 0.050 0.000 0.981 656 T CA -0.309 61.787 62.100 -0.006 0.000 0.973 656 T CB 0.371 69.163 68.868 -0.126 0.000 1.092 656 T HN 0.460 nan 8.240 nan 0.000 0.543 657 Y N -0.249 120.076 120.300 0.042 0.000 2.165 657 Y HA -0.036 4.462 4.550 -0.086 0.000 0.286 657 Y C 2.407 178.346 175.900 0.065 0.000 1.155 657 Y CA 1.646 59.786 58.100 0.068 0.000 1.164 657 Y CB -0.782 37.680 38.460 0.004 0.000 0.978 657 Y HN 0.830 nan 8.280 nan 0.000 0.513 658 E N 0.547 120.453 120.200 -0.489 0.000 2.077 658 E HA -0.253 4.043 4.350 -0.089 0.000 0.193 658 E C 1.869 178.423 176.600 -0.077 0.000 0.989 658 E CA 1.609 57.838 56.400 -0.285 0.000 0.800 658 E CB -0.115 29.323 29.700 -0.436 0.000 0.746 658 E HN 0.709 nan 8.360 nan 0.000 0.452 659 E N -0.971 119.196 120.200 -0.055 0.000 2.204 659 E HA -0.168 4.129 4.350 -0.089 0.000 0.194 659 E C 1.425 178.087 176.600 0.102 0.000 0.989 659 E CA 0.975 57.387 56.400 0.019 0.000 0.824 659 E CB -0.075 29.638 29.700 0.023 0.000 0.756 659 E HN 0.361 nan 8.360 nan 0.000 0.477 660 Y N 0.358 120.668 120.300 0.017 0.000 2.205 660 Y HA 0.023 4.518 4.550 -0.091 0.000 0.292 660 Y C 1.663 177.595 175.900 0.054 0.000 1.119 660 Y CA 0.994 59.123 58.100 0.048 0.000 1.117 660 Y CB -0.221 38.281 38.460 0.070 0.000 1.037 660 Y HN -0.081 nan 8.280 nan 0.000 0.510 661 L N -0.218 120.972 121.223 -0.055 0.000 1.970 661 L HA 0.038 4.324 4.340 -0.089 0.000 0.212 661 L C 0.842 177.657 176.870 -0.092 0.000 1.071 661 L CA 1.520 56.247 54.840 -0.188 0.000 0.751 661 L CB -1.208 40.771 42.059 -0.133 0.000 0.889 661 L HN 0.481 nan 8.230 nan 0.000 0.432 662 G N -2.036 106.763 108.800 -0.000 0.000 2.634 662 G HA2 -0.069 3.837 3.960 -0.089 0.000 0.568 662 G HA3 -0.069 3.837 3.960 -0.089 0.000 0.568 662 G C 0.118 175.074 174.900 0.094 0.000 1.495 662 G CA -0.255 44.878 45.100 0.055 0.000 0.903 662 G HN -0.039 nan 8.290 nan 0.000 0.646 663 T N 1.338 115.929 114.554 0.061 0.000 2.652 663 T HA -0.129 4.167 4.350 -0.089 0.000 0.267 663 T C 2.051 176.814 174.700 0.104 0.000 1.039 663 T CA 2.252 64.392 62.100 0.067 0.000 1.153 663 T CB -0.232 68.657 68.868 0.035 0.000 0.863 663 T HN 0.653 nan 8.240 nan 0.000 0.428 664 E N -0.174 120.079 120.200 0.089 0.000 2.021 664 E HA -0.190 4.106 4.350 -0.089 0.000 0.200 664 E C 1.964 178.653 176.600 0.149 0.000 1.015 664 E CA 1.404 57.854 56.400 0.084 0.000 0.824 664 E CB -0.323 29.405 29.700 0.046 0.000 0.762 664 E HN 0.452 nan 8.360 nan 0.000 0.454 665 Y N 0.961 121.265 120.300 0.007 0.000 2.030 665 Y HA -0.291 4.204 4.550 -0.091 0.000 0.274 665 Y C 2.231 178.165 175.900 0.056 0.000 1.153 665 Y CA 1.453 59.559 58.100 0.008 0.000 1.115 665 Y CB -0.956 37.499 38.460 -0.009 0.000 0.969 665 Y HN -0.067 nan 8.280 nan 0.000 0.488 666 V N 0.348 120.458 119.914 0.328 0.000 2.313 666 V HA -0.445 3.622 4.120 -0.089 0.000 0.253 666 V C 2.303 178.580 176.094 0.306 0.000 1.070 666 V CA 2.781 65.264 62.300 0.306 0.000 1.057 666 V CB -1.583 30.405 31.823 0.275 0.000 0.653 666 V HN 0.632 nan 8.190 nan 0.000 0.450 667 T N 0.063 114.749 114.554 0.219 0.000 2.708 667 T HA -0.154 4.142 4.350 -0.089 0.000 0.266 667 T C 2.078 176.860 174.700 0.137 0.000 1.037 667 T CA 1.430 63.629 62.100 0.165 0.000 1.146 667 T CB -0.672 68.261 68.868 0.109 0.000 0.865 667 T HN 0.572 nan 8.240 nan 0.000 0.435 668 A N 1.646 124.544 122.820 0.130 0.000 1.917 668 A HA -0.068 4.198 4.320 -0.089 0.000 0.219 668 A C 2.394 180.015 177.584 0.062 0.000 1.182 668 A CA 1.552 53.634 52.037 0.074 0.000 0.633 668 A CB -0.985 18.033 19.000 0.030 0.000 0.819 668 A HN 0.587 nan 8.150 nan 0.000 0.448 669 I N -0.573 120.047 120.570 0.084 0.000 2.252 669 I HA -0.251 3.865 4.170 -0.089 0.000 0.245 669 I C 3.011 179.005 176.117 -0.205 0.000 1.102 669 I CA 0.956 62.170 61.300 -0.143 0.000 1.385 669 I CB -0.635 37.082 38.000 -0.471 0.000 1.064 669 I HN 0.375 nan 8.210 nan 0.000 0.414 670 A N 1.416 124.227 122.820 -0.015 0.000 1.859 670 A HA -0.267 4.000 4.320 -0.089 0.000 0.217 670 A C 2.147 179.782 177.584 0.084 0.000 1.198 670 A CA 2.242 54.362 52.037 0.140 0.000 0.629 670 A CB -1.086 18.055 19.000 0.235 0.000 0.830 670 A HN 0.470 nan 8.150 nan 0.000 0.446 671 N N -0.567 118.177 118.700 0.073 0.000 2.025 671 N HA -0.177 4.509 4.740 -0.089 0.000 0.194 671 N C 1.683 177.228 175.510 0.059 0.000 1.044 671 N CA 1.654 54.740 53.050 0.060 0.000 0.851 671 N CB -0.335 38.181 38.487 0.048 0.000 1.036 671 N HN 0.320 nan 8.380 nan 0.000 0.422 672 L N 2.341 123.598 121.223 0.058 0.000 2.081 672 L HA -0.145 4.142 4.340 -0.089 0.000 0.212 672 L C 2.007 178.952 176.870 0.124 0.000 1.080 672 L CA 1.690 56.594 54.840 0.107 0.000 0.754 672 L CB -0.616 41.501 42.059 0.096 0.000 0.893 672 L HN -0.017 nan 8.230 nan 0.000 0.433 673 K N 0.065 120.504 120.400 0.064 0.000 2.097 673 K HA -0.210 4.057 4.320 -0.089 0.000 0.206 673 K C 2.007 178.657 176.600 0.083 0.000 1.049 673 K CA 1.376 57.701 56.287 0.064 0.000 0.933 673 K CB -0.505 32.016 32.500 0.036 0.000 0.717 673 K HN 0.458 nan 8.250 nan 0.000 0.442 674 K N 0.662 121.108 120.400 0.076 0.000 2.173 674 K HA -0.199 4.068 4.320 -0.089 0.000 0.207 674 K C 1.906 178.535 176.600 0.050 0.000 1.046 674 K CA 1.838 58.162 56.287 0.063 0.000 0.929 674 K CB -0.278 32.254 32.500 0.053 0.000 0.720 674 K HN 0.078 nan 8.250 nan 0.000 0.453 675 c N 0.485 119.117 118.600 0.054 0.000 2.419 675 c HA 0.105 4.621 4.570 -0.089 0.000 0.283 675 c C 1.007 175.122 174.090 0.042 0.000 1.373 675 c CA 0.189 56.534 56.329 0.026 0.000 1.781 675 c CB -0.581 41.935 42.510 0.010 0.000 1.886 675 c HN 0.444 nan 8.230 nan 0.000 0.520 676 S N -1.685 114.057 115.700 0.070 0.000 2.556 676 S HA 0.422 4.839 4.470 -0.089 0.000 0.280 676 S C -0.601 174.038 174.600 0.066 0.000 1.141 676 S CA -0.466 57.773 58.200 0.064 0.000 0.883 676 S CB 1.486 64.733 63.200 0.077 0.000 1.103 676 S HN 0.403 nan 8.310 nan 0.000 0.453 677 T N 0.215 114.801 114.554 0.054 0.000 2.918 677 T HA 0.725 5.021 4.350 -0.089 0.000 0.286 677 T C 0.048 174.774 174.700 0.043 0.000 1.026 677 T CA -0.791 61.344 62.100 0.057 0.000 1.031 677 T CB 1.676 70.577 68.868 0.054 0.000 1.046 677 T HN 0.450 nan 8.240 nan 0.000 0.479 678 S N 1.931 117.659 115.700 0.047 0.000 2.554 678 S HA 0.372 4.788 4.470 -0.089 0.000 0.278 678 S C -1.427 173.183 174.600 0.018 0.000 1.242 678 S CA -1.935 56.283 58.200 0.029 0.000 1.051 678 S CB 0.699 63.920 63.200 0.036 0.000 0.986 678 S HN 0.553 nan 8.310 nan 0.000 0.502 679 P HA -0.079 nan 4.420 nan 0.000 0.219 679 P C 1.320 178.615 177.300 -0.009 0.000 1.146 679 P CA 0.654 63.748 63.100 -0.010 0.000 0.808 679 P CB 0.026 31.714 31.700 -0.019 0.000 0.779 680 L N -1.722 119.498 121.223 -0.005 0.000 2.509 680 L HA 0.088 4.375 4.340 -0.089 0.000 0.222 680 L C 1.966 178.842 176.870 0.011 0.000 1.123 680 L CA 1.025 55.862 54.840 -0.006 0.000 0.856 680 L CB -0.846 41.203 42.059 -0.018 0.000 0.985 680 L HN -0.169 nan 8.230 nan 0.000 0.456 681 L N -0.561 120.677 121.223 0.025 0.000 2.249 681 L HA 0.008 4.294 4.340 -0.089 0.000 0.207 681 L C 2.239 179.137 176.870 0.046 0.000 1.090 681 L CA 1.349 56.216 54.840 0.044 0.000 0.802 681 L CB -0.520 41.582 42.059 0.073 0.000 0.947 681 L HN 0.434 nan 8.230 nan 0.000 0.453 682 E N -0.580 119.642 120.200 0.037 0.000 2.046 682 E HA -0.130 4.167 4.350 -0.089 0.000 0.190 682 E C 2.203 178.838 176.600 0.059 0.000 0.982 682 E CA 0.994 57.419 56.400 0.042 0.000 0.800 682 E CB 0.169 29.878 29.700 0.015 0.000 0.756 682 E HN 0.434 nan 8.360 nan 0.000 0.449 683 A N 0.524 123.363 122.820 0.031 0.000 1.892 683 A HA -0.252 4.015 4.320 -0.089 0.000 0.218 683 A C 2.429 180.088 177.584 0.125 0.000 1.188 683 A CA 1.679 53.741 52.037 0.042 0.000 0.631 683 A CB -1.049 17.954 19.000 0.005 0.000 0.822 683 A HN 0.507 nan 8.150 nan 0.000 0.447 684 c N -1.137 117.511 118.600 0.080 0.000 2.432 684 c HA 0.158 4.674 4.570 -0.089 0.000 0.280 684 c C 3.247 177.387 174.090 0.083 0.000 1.353 684 c CA 0.423 56.796 56.329 0.073 0.000 1.766 684 c CB -1.437 41.084 42.510 0.018 0.000 1.924 684 c HN 0.698 nan 8.230 nan 0.000 0.509 685 A N 0.359 123.235 122.820 0.093 0.000 1.873 685 A HA -0.167 4.100 4.320 -0.089 0.000 0.215 685 A C 1.897 179.546 177.584 0.109 0.000 1.186 685 A CA 1.718 53.804 52.037 0.082 0.000 0.616 685 A CB -0.817 18.233 19.000 0.083 0.000 0.823 685 A HN 0.551 nan 8.150 nan 0.000 0.442 686 F N 0.507 120.459 119.950 0.004 0.000 2.113 686 F HA -0.086 4.387 4.527 -0.089 0.000 0.297 686 F C 1.844 177.652 175.800 0.013 0.000 1.103 686 F CA 1.380 59.385 58.000 0.009 0.000 1.248 686 F CB -0.474 38.531 39.000 0.009 0.000 0.999 686 F HN 0.143 nan 8.300 nan 0.000 0.475 687 L N 0.415 121.870 121.223 0.387 0.000 1.963 687 L HA -0.337 3.949 4.340 -0.089 0.000 0.220 687 L C 2.698 179.543 176.870 -0.042 0.000 1.076 687 L CA 2.599 57.564 54.840 0.209 0.000 0.772 687 L CB -1.289 40.883 42.059 0.188 0.000 0.892 687 L HN 0.385 nan 8.230 nan 0.000 0.435 688 T N -2.229 112.313 114.554 -0.020 0.000 2.624 688 T HA -0.317 3.979 4.350 -0.089 0.000 0.266 688 T C 1.150 175.777 174.700 -0.123 0.000 1.050 688 T CA 1.021 63.088 62.100 -0.055 0.000 1.163 688 T CB -0.447 68.404 68.868 -0.028 0.000 0.861 688 T HN 0.310 nan 8.240 nan 0.000 0.443 689 R N 0.000 120.395 120.500 -0.175 0.000 2.786 689 R HA 0.000 4.286 4.340 -0.089 0.000 0.208 689 R CA 0.000 55.958 56.100 -0.236 0.000 0.921 689 R CB 0.000 30.055 30.300 -0.408 0.000 0.687 689 R HN 0.000 nan 8.270 nan 0.000 0.535