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 2vuf_1_B DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVAXXXXXX XXXADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKCcKAD 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.681 174.600 0.135 0.000 1.055 5 S CA 0.000 58.255 58.200 0.092 0.000 1.107 5 S CB 0.000 63.237 63.200 0.062 0.000 0.593 6 E N 3.443 123.741 120.200 0.162 0.000 2.046 6 E HA -0.041 4.310 4.350 0.001 0.000 0.190 6 E C 2.016 178.766 176.600 0.250 0.000 0.982 6 E CA 1.616 58.141 56.400 0.208 0.000 0.800 6 E CB -0.965 28.834 29.700 0.166 0.000 0.756 6 E HN 1.135 nan 8.360 nan 0.000 0.449 7 V N 0.614 120.689 119.914 0.268 0.000 2.428 7 V HA -0.239 3.881 4.120 0.001 0.000 0.255 7 V C 2.628 178.928 176.094 0.343 0.000 1.080 7 V CA 2.873 65.400 62.300 0.379 0.000 1.083 7 V CB -0.786 31.288 31.823 0.419 0.000 0.665 7 V HN 0.687 nan 8.190 nan 0.000 0.461 8 A N -1.405 121.548 122.820 0.222 0.000 1.854 8 A HA -0.234 4.086 4.320 0.001 0.000 0.214 8 A C 2.185 179.918 177.584 0.250 0.000 1.192 8 A CA 1.701 53.833 52.037 0.157 0.000 0.611 8 A CB -1.126 17.915 19.000 0.068 0.000 0.832 8 A HN 0.820 nan 8.150 nan 0.000 0.442 9 H N -0.804 118.347 119.070 0.134 0.000 2.390 9 H HA -0.165 4.392 4.556 0.001 0.000 0.298 9 H C 2.200 177.629 175.328 0.168 0.000 1.106 9 H CA 1.347 57.470 56.048 0.126 0.000 1.297 9 H CB 0.156 29.980 29.762 0.103 0.000 1.375 9 H HN 0.231 nan 8.280 nan 0.000 0.509 10 R N 0.071 120.680 120.500 0.182 0.000 2.062 10 R HA -0.109 4.231 4.340 0.001 0.000 0.229 10 R C 2.279 178.764 176.300 0.307 0.000 1.128 10 R CA 0.802 56.995 56.100 0.155 0.000 0.960 10 R CB -1.409 29.036 30.300 0.242 0.000 0.855 10 R HN 0.323 nan 8.270 nan 0.000 0.432 11 F N 2.483 122.561 119.950 0.212 0.000 2.095 11 F HA -0.263 4.264 4.527 0.001 0.000 0.298 11 F C 2.641 178.454 175.800 0.022 0.000 1.104 11 F CA 2.441 60.446 58.000 0.009 0.000 1.232 11 F CB -0.550 38.274 39.000 -0.295 0.000 0.987 11 F HN 0.089 nan 8.300 nan 0.000 0.475 12 K N 0.049 120.673 120.400 0.374 0.000 1.991 12 K HA -0.194 4.126 4.320 0.001 0.000 0.212 12 K C 1.930 178.635 176.600 0.175 0.000 1.049 12 K CA 2.023 58.465 56.287 0.257 0.000 0.932 12 K CB -1.505 31.117 32.500 0.203 0.000 0.717 12 K HN 0.398 nan 8.250 nan 0.000 0.441 13 D N 0.410 120.896 120.400 0.144 0.000 2.097 13 D HA -0.069 4.571 4.640 0.001 0.000 0.195 13 D C 2.047 178.383 176.300 0.059 0.000 0.989 13 D CA 1.443 55.493 54.000 0.083 0.000 0.827 13 D CB -0.015 40.785 40.800 -0.000 0.000 0.966 13 D HN 0.423 nan 8.370 nan 0.000 0.456 14 L N -0.348 120.910 121.223 0.059 0.000 2.068 14 L HA 0.141 4.481 4.340 0.001 0.000 0.204 14 L C 1.163 178.034 176.870 0.002 0.000 1.076 14 L CA 0.704 55.565 54.840 0.036 0.000 0.753 14 L CB -0.387 41.709 42.059 0.063 0.000 0.910 14 L HN 0.110 nan 8.230 nan 0.000 0.439 15 G N -0.024 108.740 108.800 -0.059 0.000 2.906 15 G HA2 -0.166 3.795 3.960 0.001 0.000 0.686 15 G HA3 -0.166 3.795 3.960 0.001 0.000 0.686 15 G C 0.175 174.889 174.900 -0.310 0.000 1.170 15 G CA -0.038 44.997 45.100 -0.109 0.000 0.775 15 G HN 0.241 nan 8.290 nan 0.000 0.630 16 E N 0.399 120.355 120.200 -0.406 0.000 2.108 16 E HA -0.251 4.099 4.350 0.001 0.000 0.203 16 E C 1.890 178.369 176.600 -0.201 0.000 1.022 16 E CA 2.331 58.428 56.400 -0.504 0.000 0.823 16 E CB 0.007 29.652 29.700 -0.092 0.000 0.744 16 E HN 0.760 nan 8.360 nan 0.000 0.456 17 E N -0.170 119.983 120.200 -0.078 0.000 1.999 17 E HA -0.167 4.184 4.350 0.001 0.000 0.194 17 E C 2.119 178.722 176.600 0.005 0.000 0.995 17 E CA 0.975 57.368 56.400 -0.012 0.000 0.825 17 E CB -0.223 29.482 29.700 0.008 0.000 0.777 17 E HN 0.216 nan 8.360 nan 0.000 0.459 18 N N 0.701 119.402 118.700 0.003 0.000 2.111 18 N HA -0.239 4.501 4.740 0.001 0.000 0.197 18 N C 1.556 177.072 175.510 0.010 0.000 1.011 18 N CA 1.226 54.281 53.050 0.010 0.000 0.880 18 N CB -0.583 37.910 38.487 0.010 0.000 1.031 18 N HN 0.150 nan 8.380 nan 0.000 0.444 19 F N 2.057 121.900 119.950 -0.178 0.000 2.069 19 F HA -0.209 4.318 4.527 0.001 0.000 0.298 19 F C 2.127 177.849 175.800 -0.130 0.000 1.113 19 F CA 1.721 59.606 58.000 -0.191 0.000 1.214 19 F CB -0.158 38.589 39.000 -0.423 0.000 0.978 19 F HN 0.101 nan 8.300 nan 0.000 0.474 20 K N 0.193 120.722 120.400 0.216 0.000 2.504 20 K HA 0.158 4.478 4.320 0.001 0.000 0.195 20 K C 1.674 178.258 176.600 -0.026 0.000 1.036 20 K CA 0.848 57.198 56.287 0.104 0.000 0.984 20 K CB -0.266 32.312 32.500 0.129 0.000 0.788 20 K HN 0.311 nan 8.250 nan 0.000 0.488 21 A N 1.890 124.694 122.820 -0.027 0.000 1.887 21 A HA 0.115 4.435 4.320 0.001 0.000 0.212 21 A C 2.126 179.670 177.584 -0.066 0.000 1.198 21 A CA 0.292 52.316 52.037 -0.022 0.000 0.628 21 A CB -0.433 18.572 19.000 0.007 0.000 0.847 21 A HN 0.211 nan 8.150 nan 0.000 0.449 22 L N 0.015 121.179 121.223 -0.099 0.000 2.012 22 L HA -0.182 4.159 4.340 0.001 0.000 0.210 22 L C 2.506 179.296 176.870 -0.133 0.000 1.073 22 L CA 1.374 56.144 54.840 -0.117 0.000 0.748 22 L CB -0.801 41.172 42.059 -0.143 0.000 0.891 22 L HN 0.235 nan 8.230 nan 0.000 0.431 23 V N -0.090 119.690 119.914 -0.224 0.000 2.392 23 V HA -0.290 3.831 4.120 0.001 0.000 0.249 23 V C 2.399 178.394 176.094 -0.165 0.000 1.059 23 V CA 1.606 63.788 62.300 -0.196 0.000 1.051 23 V CB -0.515 31.059 31.823 -0.416 0.000 0.658 23 V HN 0.309 nan 8.190 nan 0.000 0.455 24 L N 0.183 121.290 121.223 -0.194 0.000 1.976 24 L HA -0.131 4.209 4.340 0.001 0.000 0.209 24 L C 2.238 179.060 176.870 -0.081 0.000 1.071 24 L CA 1.886 56.626 54.840 -0.166 0.000 0.746 24 L CB -0.587 41.432 42.059 -0.065 0.000 0.890 24 L HN 0.206 nan 8.230 nan 0.000 0.432 25 I N -0.216 120.313 120.570 -0.068 0.000 2.145 25 I HA -0.416 3.754 4.170 0.001 0.000 0.244 25 I C 2.589 178.649 176.117 -0.095 0.000 1.075 25 I CA 1.514 62.767 61.300 -0.079 0.000 1.332 25 I CB -0.810 37.139 38.000 -0.085 0.000 1.033 25 I HN 0.447 nan 8.210 nan 0.000 0.410 26 A N 0.910 123.683 122.820 -0.078 0.000 1.835 26 A HA -0.218 4.103 4.320 0.001 0.000 0.215 26 A C 2.097 179.567 177.584 -0.191 0.000 1.199 26 A CA 1.685 53.625 52.037 -0.162 0.000 0.615 26 A CB -1.151 17.813 19.000 -0.060 0.000 0.838 26 A HN 0.300 nan 8.150 nan 0.000 0.444 27 F N 0.332 120.078 119.950 -0.341 0.000 2.091 27 F HA -0.212 4.315 4.527 0.000 0.000 0.299 27 F C 2.862 178.407 175.800 -0.425 0.000 1.103 27 F CA 1.039 58.799 58.000 -0.400 0.000 1.228 27 F CB -0.959 37.689 39.000 -0.586 0.000 0.984 27 F HN 0.262 nan 8.300 nan 0.000 0.477 28 A N -0.750 121.953 122.820 -0.195 0.000 2.024 28 A HA -0.227 4.093 4.320 0.001 0.000 0.220 28 A C 2.106 179.683 177.584 -0.012 0.000 1.164 28 A CA 1.691 53.729 52.037 0.002 0.000 0.643 28 A CB -0.673 18.363 19.000 0.059 0.000 0.806 28 A HN 0.534 nan 8.150 nan 0.000 0.451 29 Q N -2.310 117.425 119.800 -0.109 0.000 2.331 29 Q HA -0.032 4.309 4.340 0.001 0.000 0.203 29 Q C 1.466 177.433 176.000 -0.054 0.000 0.944 29 Q CA 0.737 56.458 55.803 -0.137 0.000 0.892 29 Q CB -0.037 28.560 28.738 -0.235 0.000 0.983 29 Q HN 0.780 nan 8.270 nan 0.000 0.482 30 Y N -0.213 120.003 120.300 -0.140 0.000 2.314 30 Y HA 0.101 4.652 4.550 0.000 0.000 0.294 30 Y C 1.140 176.964 175.900 -0.127 0.000 1.119 30 Y CA 0.263 58.237 58.100 -0.209 0.000 1.179 30 Y CB 0.190 38.362 38.460 -0.478 0.000 1.025 30 Y HN -0.037 nan 8.280 nan 0.000 0.541 31 L N 0.164 121.476 121.223 0.150 0.000 2.495 31 L HA 0.452 4.792 4.340 0.001 0.000 0.248 31 L C 0.719 177.727 176.870 0.230 0.000 1.229 31 L CA -0.427 54.516 54.840 0.171 0.000 0.942 31 L CB -0.201 41.978 42.059 0.199 0.000 1.242 31 L HN 0.075 nan 8.230 nan 0.000 0.484 32 Q N 0.138 120.017 119.800 0.133 0.000 2.364 32 Q HA -0.090 4.250 4.340 0.001 0.000 0.209 32 Q C 2.354 178.395 176.000 0.067 0.000 0.977 32 Q CA 2.172 58.021 55.803 0.077 0.000 0.885 32 Q CB 0.090 28.838 28.738 0.016 0.000 0.941 32 Q HN 0.997 nan 8.270 nan 0.000 0.464 33 Q N -0.207 119.641 119.800 0.079 0.000 2.297 33 Q HA 0.060 4.400 4.340 0.001 0.000 0.203 33 Q C 1.250 177.286 176.000 0.059 0.000 0.931 33 Q CA 0.710 56.548 55.803 0.058 0.000 0.885 33 Q CB -0.493 28.272 28.738 0.045 0.000 0.991 33 Q HN 0.418 nan 8.270 nan 0.000 0.498 34 C N 2.086 121.404 119.300 0.031 0.000 2.692 34 C HA 0.301 4.761 4.460 0.001 0.000 0.409 34 C C -1.908 173.041 174.990 -0.068 0.000 1.284 34 C CA -0.844 58.128 59.018 -0.077 0.000 1.909 34 C CB 0.505 28.121 27.740 -0.207 0.000 2.713 34 C HN 0.533 nan 8.230 nan 0.000 0.649 35 P HA 0.069 nan 4.420 nan 0.000 0.271 35 P C 0.527 177.695 177.300 -0.220 0.000 1.218 35 P CA -0.236 62.834 63.100 -0.049 0.000 0.780 35 P CB 0.236 31.904 31.700 -0.054 0.000 0.901 36 F N 3.310 122.955 119.950 -0.509 0.000 2.091 36 F HA -0.268 4.259 4.527 0.001 0.000 0.299 36 F C 1.625 177.172 175.800 -0.422 0.000 1.103 36 F CA 2.031 59.498 58.000 -0.889 0.000 1.228 36 F CB -0.820 37.739 39.000 -0.736 0.000 0.984 36 F HN 0.302 nan 8.300 nan 0.000 0.477 37 E N 0.603 120.545 120.200 -0.430 0.000 2.049 37 E HA -0.243 4.107 4.350 0.001 0.000 0.198 37 E C 1.823 178.214 176.600 -0.348 0.000 1.007 37 E CA 1.996 58.125 56.400 -0.452 0.000 0.809 37 E CB -0.765 28.798 29.700 -0.227 0.000 0.749 37 E HN 0.474 nan 8.360 nan 0.000 0.450 38 D N -0.675 119.577 120.400 -0.246 0.000 2.123 38 D HA -0.150 4.491 4.640 0.001 0.000 0.196 38 D C 1.762 177.988 176.300 -0.123 0.000 0.992 38 D CA 1.391 55.286 54.000 -0.174 0.000 0.833 38 D CB -0.253 40.453 40.800 -0.158 0.000 0.954 38 D HN 0.399 nan 8.370 nan 0.000 0.455 39 H N -0.526 118.439 119.070 -0.175 0.000 2.299 39 H HA -0.052 4.505 4.556 0.001 0.000 0.302 39 H C 2.166 177.320 175.328 -0.290 0.000 1.078 39 H CA 0.993 56.946 56.048 -0.158 0.000 1.323 39 H CB 0.085 29.806 29.762 -0.069 0.000 1.381 39 H HN -0.055 nan 8.280 nan 0.000 0.498 40 V N 1.186 120.948 119.914 -0.255 0.000 2.380 40 V HA -0.326 3.794 4.120 0.001 0.000 0.251 40 V C 2.667 178.613 176.094 -0.248 0.000 1.063 40 V CA 2.410 64.517 62.300 -0.322 0.000 1.055 40 V CB -1.154 30.340 31.823 -0.548 0.000 0.657 40 V HN 0.585 nan 8.190 nan 0.000 0.455 41 K N 0.527 120.796 120.400 -0.219 0.000 1.985 41 K HA -0.106 4.214 4.320 0.001 0.000 0.210 41 K C 2.062 178.580 176.600 -0.138 0.000 1.047 41 K CA 2.052 58.248 56.287 -0.153 0.000 0.932 41 K CB -1.090 31.337 32.500 -0.122 0.000 0.716 41 K HN 0.536 nan 8.250 nan 0.000 0.439 42 L N 0.900 122.043 121.223 -0.134 0.000 2.083 42 L HA -0.160 4.181 4.340 0.001 0.000 0.209 42 L C 2.666 179.327 176.870 -0.348 0.000 1.083 42 L CA 1.049 55.799 54.840 -0.149 0.000 0.752 42 L CB -0.822 41.233 42.059 -0.007 0.000 0.899 42 L HN 0.207 nan 8.230 nan 0.000 0.433 43 V N 0.184 119.808 119.914 -0.484 0.000 2.287 43 V HA -0.284 3.837 4.120 0.001 0.000 0.248 43 V C 2.312 178.261 176.094 -0.241 0.000 1.053 43 V CA 1.990 63.971 62.300 -0.532 0.000 1.027 43 V CB -0.709 30.860 31.823 -0.424 0.000 0.646 43 V HN 0.488 nan 8.190 nan 0.000 0.447 44 N N 0.141 118.749 118.700 -0.153 0.000 2.080 44 N HA -0.162 4.578 4.740 0.001 0.000 0.189 44 N C 1.886 177.388 175.510 -0.014 0.000 1.036 44 N CA 1.518 54.534 53.050 -0.057 0.000 0.846 44 N CB -0.371 38.082 38.487 -0.058 0.000 1.015 44 N HN 0.582 nan 8.380 nan 0.000 0.423 45 E N 0.349 120.527 120.200 -0.036 0.000 2.147 45 E HA -0.155 4.196 4.350 0.001 0.000 0.199 45 E C 1.905 178.539 176.600 0.058 0.000 1.005 45 E CA 0.948 57.352 56.400 0.006 0.000 0.810 45 E CB 0.056 29.743 29.700 -0.020 0.000 0.736 45 E HN 0.099 nan 8.360 nan 0.000 0.460 46 V N 0.678 120.605 119.914 0.021 0.000 2.323 46 V HA -0.229 3.892 4.120 0.001 0.000 0.244 46 V C 2.268 178.525 176.094 0.271 0.000 1.041 46 V CA 2.147 64.508 62.300 0.102 0.000 1.025 46 V CB -0.675 31.122 31.823 -0.042 0.000 0.656 46 V HN 0.347 nan 8.190 nan 0.000 0.451 47 T N -0.409 114.290 114.554 0.242 0.000 2.746 47 T HA -0.234 4.117 4.350 0.001 0.000 0.267 47 T C 1.510 176.313 174.700 0.170 0.000 1.039 47 T CA 1.386 63.647 62.100 0.268 0.000 1.142 47 T CB -0.293 68.709 68.868 0.223 0.000 0.866 47 T HN 0.575 nan 8.240 nan 0.000 0.444 48 E N -0.333 119.950 120.200 0.138 0.000 2.322 48 E HA 0.046 4.396 4.350 0.001 0.000 0.195 48 E C 0.389 177.087 176.600 0.163 0.000 1.198 48 E CA -0.024 56.433 56.400 0.095 0.000 1.132 48 E CB -0.230 29.511 29.700 0.068 0.000 1.213 48 E HN 0.591 nan 8.360 nan 0.000 0.450 49 F N -1.595 118.361 119.950 0.010 0.000 2.897 49 F HA 0.341 4.868 4.527 0.001 0.000 0.377 49 F C 1.509 177.312 175.800 0.005 0.000 0.917 49 F CA 0.616 58.627 58.000 0.019 0.000 1.079 49 F CB -0.083 38.952 39.000 0.060 0.000 1.068 49 F HN 0.084 nan 8.300 nan 0.000 0.581 50 A N 1.222 124.100 122.820 0.097 0.000 1.929 50 A HA 0.018 4.339 4.320 0.001 0.000 0.216 50 A C 2.194 179.548 177.584 -0.382 0.000 1.176 50 A CA 2.105 54.116 52.037 -0.043 0.000 0.628 50 A CB -1.071 17.945 19.000 0.026 0.000 0.816 50 A HN 0.317 nan 8.150 nan 0.000 0.444 51 K N -0.330 119.830 120.400 -0.401 0.000 2.057 51 K HA -0.130 4.191 4.320 0.001 0.000 0.206 51 K C 2.299 178.698 176.600 -0.336 0.000 1.050 51 K CA 2.375 58.386 56.287 -0.458 0.000 0.935 51 K CB -1.931 30.385 32.500 -0.307 0.000 0.715 51 K HN 0.816 nan 8.250 nan 0.000 0.439 52 T N -1.361 113.010 114.554 -0.305 0.000 2.746 52 T HA -0.190 4.161 4.350 0.001 0.000 0.267 52 T C 2.217 176.739 174.700 -0.297 0.000 1.039 52 T CA 1.674 63.605 62.100 -0.281 0.000 1.142 52 T CB -1.104 67.589 68.868 -0.292 0.000 0.866 52 T HN 0.482 nan 8.240 nan 0.000 0.444 53 c N 1.161 119.528 118.600 -0.388 0.000 2.419 53 c HA 0.084 4.655 4.570 0.001 0.000 0.283 53 c C 2.900 176.874 174.090 -0.194 0.000 1.373 53 c CA 0.306 56.462 56.329 -0.289 0.000 1.781 53 c CB -1.338 41.003 42.510 -0.281 0.000 1.886 53 c HN 0.515 nan 8.230 nan 0.000 0.520 54 V N 1.326 121.097 119.914 -0.239 0.000 2.307 54 V HA -0.178 3.942 4.120 0.001 0.000 0.245 54 V C 2.661 178.665 176.094 -0.150 0.000 1.045 54 V CA 2.245 64.420 62.300 -0.208 0.000 1.024 54 V CB -1.293 30.338 31.823 -0.320 0.000 0.651 54 V HN 0.587 nan 8.190 nan 0.000 0.449 55 A N 0.211 122.937 122.820 -0.157 0.000 1.825 55 A HA -0.020 4.301 4.320 0.001 0.000 0.214 55 A C 1.463 178.992 177.584 -0.092 0.000 1.206 55 A CA 1.523 53.491 52.037 -0.114 0.000 0.609 55 A CB -1.056 17.875 19.000 -0.113 0.000 0.851 55 A HN 0.585 nan 8.150 nan 0.000 0.445 56 D N 0.278 120.617 120.400 -0.102 0.000 2.373 56 D HA 0.518 5.159 4.640 0.001 0.000 0.227 56 D C -0.159 176.093 176.300 -0.081 0.000 1.091 56 D CA -0.361 53.592 54.000 -0.078 0.000 0.840 56 D CB 0.142 40.898 40.800 -0.074 0.000 1.060 56 D HN 0.542 nan 8.370 nan 0.000 0.502 57 E N 0.334 120.502 120.200 -0.054 0.000 2.330 57 E HA 0.191 4.542 4.350 0.001 0.000 0.210 57 E C 0.491 177.080 176.600 -0.018 0.000 1.256 57 E CA 0.306 56.684 56.400 -0.037 0.000 1.346 57 E CB 0.018 29.706 29.700 -0.021 0.000 1.308 57 E HN 0.564 nan 8.360 nan 0.000 0.441 58 S N -2.266 113.420 115.700 -0.024 0.000 2.857 58 S HA 0.292 4.762 4.470 0.001 0.000 0.238 58 S C 1.069 175.668 174.600 -0.002 0.000 0.875 58 S CA 0.010 58.210 58.200 -0.001 0.000 1.368 58 S CB 0.108 63.310 63.200 0.003 0.000 1.238 58 S HN 0.213 nan 8.310 nan 0.000 0.635 59 A N 2.585 125.386 122.820 -0.031 0.000 3.071 59 A HA 0.233 4.553 4.320 0.001 0.000 0.173 59 A C 2.086 179.687 177.584 0.028 0.000 0.902 59 A CA 2.096 54.116 52.037 -0.028 0.000 1.098 59 A CB -1.491 17.451 19.000 -0.097 0.000 0.802 59 A HN 1.110 nan 8.150 nan 0.000 0.562 60 E N -1.267 118.976 120.200 0.072 0.000 2.216 60 E HA 0.040 4.390 4.350 0.001 0.000 0.192 60 E C 1.018 177.729 176.600 0.186 0.000 0.973 60 E CA 1.196 57.685 56.400 0.148 0.000 0.851 60 E CB -0.365 29.472 29.700 0.228 0.000 0.804 60 E HN 0.754 nan 8.360 nan 0.000 0.477 61 N N -1.976 116.877 118.700 0.255 0.000 1.872 61 N HA -0.022 4.719 4.740 0.001 0.000 0.223 61 N C 1.091 176.758 175.510 0.262 0.000 1.424 61 N CA 0.483 53.687 53.050 0.255 0.000 0.710 61 N CB -0.390 38.261 38.487 0.274 0.000 1.074 61 N HN 0.327 nan 8.380 nan 0.000 0.544 62 c N 1.522 120.244 118.600 0.203 0.000 2.370 62 c HA -0.129 4.441 4.570 0.001 0.000 0.311 62 c C 2.216 176.381 174.090 0.125 0.000 1.407 62 c CA 0.989 57.391 56.329 0.122 0.000 1.807 62 c CB -1.140 41.349 42.510 -0.035 0.000 1.782 62 c HN 0.460 nan 8.230 nan 0.000 0.565 63 D N 0.483 120.955 120.400 0.120 0.000 2.277 63 D HA -0.006 4.634 4.640 0.001 0.000 0.209 63 D C 0.969 177.338 176.300 0.116 0.000 0.970 63 D CA 0.379 54.438 54.000 0.098 0.000 0.874 63 D CB -0.014 40.831 40.800 0.076 0.000 0.982 63 D HN 0.481 nan 8.370 nan 0.000 0.504 64 K N 0.825 121.311 120.400 0.143 0.000 2.455 64 K HA 0.028 4.348 4.320 0.001 0.000 0.269 64 K C 0.600 177.286 176.600 0.144 0.000 0.972 64 K CA 0.081 56.452 56.287 0.140 0.000 0.938 64 K CB 0.431 33.025 32.500 0.156 0.000 0.931 64 K HN 0.048 nan 8.250 nan 0.000 0.507 65 S N 1.228 117.001 115.700 0.121 0.000 2.586 65 S HA 0.144 4.614 4.470 0.001 0.000 0.274 65 S C 1.372 176.017 174.600 0.075 0.000 1.281 65 S CA -0.774 57.489 58.200 0.104 0.000 1.035 65 S CB 0.682 63.948 63.200 0.109 0.000 0.962 65 S HN 0.557 nan 8.310 nan 0.000 0.512 66 L N 1.428 122.627 121.223 -0.040 0.000 2.051 66 L HA -0.211 4.129 4.340 0.001 0.000 0.214 66 L C 2.764 179.372 176.870 -0.436 0.000 1.076 66 L CA 1.746 56.373 54.840 -0.355 0.000 0.758 66 L CB -0.914 40.759 42.059 -0.642 0.000 0.890 66 L HN 0.800 nan 8.230 nan 0.000 0.433 67 H N -0.430 118.529 119.070 -0.186 0.000 2.319 67 H HA -0.141 4.415 4.556 0.000 0.000 0.299 67 H C 2.351 177.712 175.328 0.056 0.000 1.092 67 H CA 2.051 58.065 56.048 -0.057 0.000 1.302 67 H CB -0.398 29.357 29.762 -0.011 0.000 1.373 67 H HN 0.401 nan 8.280 nan 0.000 0.497 68 T N 1.704 116.366 114.554 0.180 0.000 2.595 68 T HA -0.151 4.200 4.350 0.001 0.000 0.264 68 T C 2.453 177.252 174.700 0.165 0.000 1.058 68 T CA 1.351 63.540 62.100 0.149 0.000 1.166 68 T CB -0.623 68.317 68.868 0.119 0.000 0.863 68 T HN 0.048 nan 8.240 nan 0.000 0.415 69 L N 0.070 121.412 121.223 0.199 0.000 1.944 69 L HA -0.079 4.261 4.340 0.001 0.000 0.218 69 L C 2.414 179.461 176.870 0.294 0.000 1.075 69 L CA 1.711 56.684 54.840 0.222 0.000 0.767 69 L CB -1.062 41.185 42.059 0.314 0.000 0.890 69 L HN 0.121 nan 8.230 nan 0.000 0.434 70 F N 0.317 120.286 119.950 0.031 0.000 2.147 70 F HA -0.228 4.299 4.527 0.000 0.000 0.301 70 F C 2.403 178.145 175.800 -0.098 0.000 1.084 70 F CA 1.233 59.203 58.000 -0.051 0.000 1.268 70 F CB -1.793 37.136 39.000 -0.119 0.000 1.009 70 F HN 0.121 nan 8.300 nan 0.000 0.486 71 G N -0.340 108.600 108.800 0.233 0.000 2.511 71 G HA2 -0.318 3.642 3.960 0.001 0.000 0.216 71 G HA3 -0.318 3.642 3.960 0.001 0.000 0.216 71 G C 1.551 176.544 174.900 0.155 0.000 1.218 71 G CA 1.656 46.896 45.100 0.233 0.000 0.788 71 G HN 0.414 nan 8.290 nan 0.000 0.560 72 D N 1.291 121.762 120.400 0.118 0.000 2.103 72 D HA -0.161 4.480 4.640 0.001 0.000 0.190 72 D C 2.317 178.656 176.300 0.064 0.000 0.997 72 D CA 1.902 55.949 54.000 0.078 0.000 0.833 72 D CB -0.510 40.319 40.800 0.049 0.000 0.961 72 D HN 0.220 nan 8.370 nan 0.000 0.447 73 K N -0.130 120.306 120.400 0.060 0.000 2.127 73 K HA -0.148 4.172 4.320 0.001 0.000 0.212 73 K C 2.385 179.046 176.600 0.101 0.000 1.050 73 K CA 1.071 57.408 56.287 0.083 0.000 0.929 73 K CB -0.638 31.951 32.500 0.149 0.000 0.715 73 K HN 0.522 nan 8.250 nan 0.000 0.457 74 L N -0.107 121.134 121.223 0.031 0.000 2.217 74 L HA -0.117 4.224 4.340 0.001 0.000 0.211 74 L C 2.328 179.231 176.870 0.056 0.000 1.107 74 L CA 0.475 55.325 54.840 0.016 0.000 0.783 74 L CB -0.315 41.621 42.059 -0.204 0.000 0.919 74 L HN 0.115 nan 8.230 nan 0.000 0.442 75 c N -0.076 118.570 118.600 0.076 0.000 2.511 75 c HA -0.052 4.518 4.570 0.001 0.000 0.277 75 c C 2.579 176.701 174.090 0.054 0.000 1.451 75 c CA 1.123 57.502 56.329 0.082 0.000 1.735 75 c CB -1.549 41.015 42.510 0.090 0.000 1.704 75 c HN 0.607 nan 8.230 nan 0.000 0.571 76 T N -2.158 112.427 114.554 0.050 0.000 3.129 76 T HA 0.133 4.484 4.350 0.001 0.000 0.251 76 T C 0.695 175.414 174.700 0.031 0.000 1.117 76 T CA 1.072 63.193 62.100 0.036 0.000 1.034 76 T CB -0.208 68.679 68.868 0.032 0.000 0.968 76 T HN 0.544 nan 8.240 nan 0.000 0.526 77 V N -3.151 116.786 119.914 0.038 0.000 3.590 77 V HA 0.806 4.927 4.120 0.001 0.000 0.389 77 V C 0.263 176.375 176.094 0.030 0.000 1.545 77 V CA -0.814 61.502 62.300 0.028 0.000 1.448 77 V CB -0.807 31.030 31.823 0.024 0.000 1.105 77 V HN 0.524 nan 8.190 nan 0.000 0.537 89 D N 0.144 120.487 120.400 -0.096 0.000 2.317 89 D HA 0.005 4.646 4.640 0.001 0.000 0.211 89 D C 1.490 177.691 176.300 -0.165 0.000 0.966 89 D CA 1.366 55.304 54.000 -0.103 0.000 0.876 89 D CB -0.928 39.825 40.800 -0.077 0.000 0.927 89 D HN 0.326 nan 8.370 nan 0.000 0.519 90 c N -0.228 118.224 118.600 -0.246 0.000 2.486 90 c HA 0.002 4.572 4.570 0.001 0.000 0.279 90 c C 2.932 176.800 174.090 -0.370 0.000 1.302 90 c CA 0.251 56.337 56.329 -0.404 0.000 1.720 90 c CB -0.881 41.241 42.510 -0.646 0.000 2.030 90 c HN 0.517 nan 8.230 nan 0.000 0.490 91 c N 0.915 119.388 118.600 -0.212 0.000 2.413 91 c HA -0.114 4.456 4.570 0.001 0.000 0.277 91 c C 3.073 177.101 174.090 -0.104 0.000 1.228 91 c CA 1.346 57.606 56.329 -0.114 0.000 1.731 91 c CB -1.508 40.998 42.510 -0.006 0.000 2.042 91 c HN 0.701 nan 8.230 nan 0.000 0.468 92 A N 0.963 123.731 122.820 -0.088 0.000 1.909 92 A HA -0.125 4.196 4.320 0.001 0.000 0.221 92 A C 1.691 179.229 177.584 -0.076 0.000 1.223 92 A CA 2.900 54.896 52.037 -0.067 0.000 0.658 92 A CB -1.299 17.664 19.000 -0.061 0.000 0.831 92 A HN 0.731 nan 8.150 nan 0.000 0.462 93 K N -1.933 118.401 120.400 -0.109 0.000 2.191 93 K HA 0.418 4.738 4.320 0.001 0.000 0.244 93 K C 0.265 176.807 176.600 -0.095 0.000 1.083 93 K CA 1.171 57.394 56.287 -0.106 0.000 0.800 93 K CB -0.905 31.511 32.500 -0.141 0.000 1.088 93 K HN 1.741 nan 8.250 nan 0.000 0.525 94 Q N 0.790 120.539 119.800 -0.085 0.000 2.359 94 Q HA 0.496 4.836 4.340 0.001 0.000 0.274 94 Q C -0.483 175.476 176.000 -0.068 0.000 1.074 94 Q CA -0.779 54.987 55.803 -0.062 0.000 0.810 94 Q CB 0.892 29.608 28.738 -0.037 0.000 1.342 94 Q HN 0.697 nan 8.270 nan 0.000 0.427 95 E N 1.944 122.115 120.200 -0.050 0.000 2.653 95 E HA -0.009 4.341 4.350 0.001 0.000 0.264 95 E C -1.440 175.122 176.600 -0.063 0.000 0.949 95 E CA -0.776 55.590 56.400 -0.056 0.000 0.953 95 E CB 0.806 30.497 29.700 -0.016 0.000 0.925 95 E HN 0.567 nan 8.360 nan 0.000 0.475 96 P HA 0.009 nan 4.420 nan 0.000 0.245 96 P C 1.085 178.311 177.300 -0.124 0.000 1.206 96 P CA 1.082 64.106 63.100 -0.127 0.000 0.781 96 P CB 0.319 31.936 31.700 -0.138 0.000 0.994 97 E N 0.938 121.074 120.200 -0.107 0.000 2.108 97 E HA -0.352 3.998 4.350 0.001 0.000 0.203 97 E C 2.298 178.788 176.600 -0.184 0.000 1.022 97 E CA 2.573 58.902 56.400 -0.118 0.000 0.823 97 E CB -1.600 28.041 29.700 -0.097 0.000 0.744 97 E HN 0.350 nan 8.360 nan 0.000 0.456 98 R N 1.164 121.535 120.500 -0.215 0.000 2.070 98 R HA -0.091 4.249 4.340 0.001 0.000 0.233 98 R C 2.279 178.255 176.300 -0.540 0.000 1.137 98 R CA 1.987 57.856 56.100 -0.386 0.000 0.945 98 R CB -1.665 28.460 30.300 -0.292 0.000 0.845 98 R HN 0.745 nan 8.270 nan 0.000 0.430 99 N N -0.002 118.547 118.700 -0.251 0.000 2.018 99 N HA -0.213 4.528 4.740 0.001 0.000 0.196 99 N C 1.557 177.008 175.510 -0.098 0.000 1.043 99 N CA 1.771 54.781 53.050 -0.067 0.000 0.856 99 N CB -0.103 38.416 38.487 0.054 0.000 1.042 99 N HN 0.526 nan 8.380 nan 0.000 0.423 100 E N 0.815 120.956 120.200 -0.099 0.000 2.130 100 E HA -0.208 4.142 4.350 0.001 0.000 0.196 100 E C 2.166 178.734 176.600 -0.053 0.000 0.998 100 E CA 0.621 56.993 56.400 -0.047 0.000 0.806 100 E CB -1.028 28.639 29.700 -0.055 0.000 0.738 100 E HN 0.497 nan 8.360 nan 0.000 0.459 101 c N 0.310 118.811 118.600 -0.165 0.000 2.413 101 c HA -0.189 4.381 4.570 0.001 0.000 0.276 101 c C 2.546 176.592 174.090 -0.073 0.000 1.236 101 c CA 0.554 56.787 56.329 -0.159 0.000 1.735 101 c CB -1.325 40.965 42.510 -0.368 0.000 2.031 101 c HN 0.270 nan 8.230 nan 0.000 0.474 102 F N 1.326 121.182 119.950 -0.156 0.000 2.046 102 F HA -0.076 4.452 4.527 0.000 0.000 0.297 102 F C 2.265 178.029 175.800 -0.060 0.000 1.123 102 F CA 1.717 59.556 58.000 -0.269 0.000 1.199 102 F CB -1.397 37.093 39.000 -0.849 0.000 0.972 102 F HN 0.168 nan 8.300 nan 0.000 0.474 103 L N -0.372 120.966 121.223 0.192 0.000 2.051 103 L HA -0.291 4.049 4.340 0.001 0.000 0.214 103 L C 2.494 179.479 176.870 0.193 0.000 1.076 103 L CA 1.892 56.876 54.840 0.241 0.000 0.758 103 L CB -1.603 40.585 42.059 0.216 0.000 0.890 103 L HN 0.393 nan 8.230 nan 0.000 0.433 104 Q N -0.940 118.949 119.800 0.148 0.000 2.307 104 Q HA -0.064 4.276 4.340 0.001 0.000 0.216 104 Q C 0.800 176.807 176.000 0.011 0.000 0.931 104 Q CA 0.778 56.628 55.803 0.078 0.000 0.953 104 Q CB -0.960 27.796 28.738 0.031 0.000 1.006 104 Q HN 0.644 nan 8.270 nan 0.000 0.472 105 H N -1.634 117.483 119.070 0.079 0.000 3.367 105 H HA 0.260 4.816 4.556 0.001 0.000 0.257 105 H C -0.254 175.124 175.328 0.084 0.000 1.201 105 H CA -0.427 55.664 56.048 0.073 0.000 1.102 105 H CB 0.963 30.770 29.762 0.076 0.000 1.656 105 H HN 0.347 nan 8.280 nan 0.000 0.662 106 K N 1.385 121.886 120.400 0.169 0.000 2.382 106 K HA 0.014 4.334 4.320 0.001 0.000 0.275 106 K C -0.420 176.240 176.600 0.100 0.000 1.009 106 K CA 0.119 56.469 56.287 0.104 0.000 0.970 106 K CB 0.610 33.102 32.500 -0.013 0.000 0.934 106 K HN 0.143 nan 8.250 nan 0.000 0.479 107 D N 2.535 122.978 120.400 0.072 0.000 2.392 107 D HA 0.054 4.694 4.640 0.001 0.000 0.228 107 D C 0.032 176.363 176.300 0.051 0.000 1.074 107 D CA -0.252 53.781 54.000 0.054 0.000 0.838 107 D CB 0.868 41.690 40.800 0.037 0.000 1.067 107 D HN 0.406 nan 8.370 nan 0.000 0.511 108 D N 2.462 122.907 120.400 0.075 0.000 2.350 108 D HA -0.136 4.504 4.640 0.001 0.000 0.216 108 D C 0.156 176.450 176.300 -0.011 0.000 0.968 108 D CA 0.645 54.686 54.000 0.069 0.000 0.894 108 D CB 0.411 41.255 40.800 0.072 0.000 0.909 108 D HN 0.267 nan 8.370 nan 0.000 0.520 109 N N 0.548 119.237 118.700 -0.018 0.000 2.711 109 N HA 0.177 4.917 4.740 0.001 0.000 0.263 109 N C -2.829 172.660 175.510 -0.034 0.000 1.667 109 N CA -1.418 51.607 53.050 -0.041 0.000 0.785 109 N CB 0.903 39.371 38.487 -0.032 0.000 1.231 109 N HN -0.225 nan 8.380 nan 0.000 0.503 110 P HA 0.104 nan 4.420 nan 0.000 0.268 110 P C -0.087 177.195 177.300 -0.029 0.000 1.208 110 P CA -0.016 63.065 63.100 -0.031 0.000 0.777 110 P CB 0.616 32.288 31.700 -0.046 0.000 0.875 111 N N 1.758 120.448 118.700 -0.016 0.000 2.758 111 N HA 0.121 4.861 4.740 0.001 0.000 0.293 111 N C -0.779 174.723 175.510 -0.012 0.000 1.273 111 N CA -0.027 53.016 53.050 -0.012 0.000 1.022 111 N CB -0.854 37.631 38.487 -0.003 0.000 1.334 111 N HN 0.284 nan 8.380 nan 0.000 0.519 112 L N 0.645 121.854 121.223 -0.023 0.000 2.375 112 L HA 0.500 4.840 4.340 0.001 0.000 0.271 112 L C -1.637 175.222 176.870 -0.019 0.000 1.107 112 L CA -1.913 52.914 54.840 -0.023 0.000 0.806 112 L CB 0.265 42.297 42.059 -0.045 0.000 1.146 112 L HN 0.087 nan 8.230 nan 0.000 0.447 113 P HA 0.139 nan 4.420 nan 0.000 0.267 113 P C -0.040 177.255 177.300 -0.009 0.000 1.205 113 P CA -0.173 62.924 63.100 -0.004 0.000 0.765 113 P CB 0.411 32.114 31.700 0.005 0.000 0.828 114 R N 1.487 121.983 120.500 -0.007 0.000 2.644 114 R HA 0.331 4.671 4.340 0.001 0.000 0.265 114 R C 0.226 176.525 176.300 -0.002 0.000 0.985 114 R CA 0.711 56.808 56.100 -0.006 0.000 1.097 114 R CB -1.349 28.951 30.300 0.001 0.000 0.931 114 R HN 0.605 nan 8.270 nan 0.000 0.419 115 L N 2.510 123.732 121.223 -0.003 0.000 2.260 115 L HA 0.698 5.038 4.340 0.001 0.000 0.289 115 L C 0.523 177.403 176.870 0.017 0.000 1.057 115 L CA -0.573 54.268 54.840 0.001 0.000 0.811 115 L CB 0.914 42.965 42.059 -0.014 0.000 1.184 115 L HN 1.093 nan 8.230 nan 0.000 0.429 116 V N 4.885 124.813 119.914 0.023 0.000 2.472 116 V HA 0.726 4.847 4.120 0.001 0.000 0.290 116 V C 0.586 176.708 176.094 0.047 0.000 1.037 116 V CA -0.793 61.526 62.300 0.033 0.000 0.908 116 V CB 1.737 33.578 31.823 0.030 0.000 0.985 116 V HN 1.154 nan 8.190 nan 0.000 0.454 117 R N 6.127 126.661 120.500 0.057 0.000 2.234 117 R HA 0.589 4.929 4.340 0.001 0.000 0.324 117 R C -2.490 173.857 176.300 0.079 0.000 1.054 117 R CA -1.196 54.952 56.100 0.080 0.000 0.912 117 R CB 0.291 30.643 30.300 0.088 0.000 1.030 117 R HN 0.514 nan 8.270 nan 0.000 0.455 118 P HA 0.064 nan 4.420 nan 0.000 0.285 118 P C -0.321 177.032 177.300 0.088 0.000 1.282 118 P CA -0.126 63.026 63.100 0.087 0.000 0.778 118 P CB 0.201 31.962 31.700 0.101 0.000 1.222 119 E N -0.386 119.861 120.200 0.078 0.000 2.373 119 E HA 0.119 4.470 4.350 0.001 0.000 0.267 119 E C 1.365 178.016 176.600 0.085 0.000 1.032 119 E CA -0.292 56.148 56.400 0.067 0.000 0.889 119 E CB -0.471 29.260 29.700 0.053 0.000 0.984 119 E HN 0.257 nan 8.360 nan 0.000 0.425 120 V N 2.156 122.110 119.914 0.066 0.000 2.311 120 V HA -0.377 3.743 4.120 0.001 0.000 0.256 120 V C 2.648 178.798 176.094 0.093 0.000 1.077 120 V CA 3.301 65.641 62.300 0.066 0.000 1.067 120 V CB -1.319 30.516 31.823 0.021 0.000 0.659 120 V HN 0.976 nan 8.190 nan 0.000 0.451 121 D N -0.885 119.558 120.400 0.073 0.000 2.103 121 D HA -0.116 4.524 4.640 0.001 0.000 0.199 121 D C 2.106 178.460 176.300 0.090 0.000 0.978 121 D CA 1.599 55.642 54.000 0.071 0.000 0.829 121 D CB -0.473 40.355 40.800 0.048 0.000 0.981 121 D HN 0.295 nan 8.370 nan 0.000 0.464 122 V N 0.574 120.545 119.914 0.095 0.000 2.282 122 V HA -0.325 3.795 4.120 0.001 0.000 0.249 122 V C 2.809 178.993 176.094 0.149 0.000 1.057 122 V CA 2.180 64.543 62.300 0.105 0.000 1.032 122 V CB -0.645 31.239 31.823 0.101 0.000 0.645 122 V HN 0.516 nan 8.190 nan 0.000 0.447 123 M N -0.730 118.997 119.600 0.210 0.000 2.126 123 M HA -0.224 4.256 4.480 0.001 0.000 0.259 123 M C 2.458 178.892 176.300 0.223 0.000 1.073 123 M CA 2.318 57.816 55.300 0.330 0.000 1.103 123 M CB -0.890 32.025 32.600 0.525 0.000 1.284 123 M HN 0.390 nan 8.290 nan 0.000 0.420 124 c N 0.386 119.134 118.600 0.247 0.000 2.397 124 c HA -0.180 4.391 4.570 0.001 0.000 0.282 124 c C 2.860 176.995 174.090 0.076 0.000 1.252 124 c CA 1.417 57.857 56.329 0.185 0.000 1.811 124 c CB -1.357 41.252 42.510 0.165 0.000 2.027 124 c HN 0.619 nan 8.230 nan 0.000 0.503 125 T N 0.549 115.138 114.554 0.059 0.000 2.732 125 T HA -0.038 4.312 4.350 0.001 0.000 0.261 125 T C 2.176 176.864 174.700 -0.020 0.000 1.040 125 T CA 1.493 63.604 62.100 0.018 0.000 1.145 125 T CB -0.376 68.514 68.868 0.038 0.000 0.866 125 T HN 0.633 nan 8.240 nan 0.000 0.427 126 A N 1.213 124.047 122.820 0.024 0.000 1.908 126 A HA -0.082 4.239 4.320 0.001 0.000 0.218 126 A C 2.014 179.485 177.584 -0.188 0.000 1.181 126 A CA 1.544 53.611 52.037 0.050 0.000 0.627 126 A CB -0.988 18.181 19.000 0.282 0.000 0.818 126 A HN 0.487 nan 8.150 nan 0.000 0.445 127 F N 0.882 120.306 119.950 -0.876 0.000 2.102 127 F HA -0.153 4.374 4.527 0.001 0.000 0.298 127 F C 2.671 178.101 175.800 -0.618 0.000 1.105 127 F CA 2.292 59.418 58.000 -1.457 0.000 1.239 127 F CB -1.110 36.929 39.000 -1.601 0.000 0.991 127 F HN 0.475 nan 8.300 nan 0.000 0.474 128 H N -0.939 117.851 119.070 -0.466 0.000 2.363 128 H HA -0.059 4.497 4.556 0.001 0.000 0.301 128 H C 1.902 177.052 175.328 -0.297 0.000 1.074 128 H CA 1.559 57.347 56.048 -0.434 0.000 1.354 128 H CB -1.207 28.424 29.762 -0.218 0.000 1.397 128 H HN 0.270 nan 8.280 nan 0.000 0.516 129 D N 0.621 120.909 120.400 -0.187 0.000 2.212 129 D HA -0.110 4.530 4.640 0.001 0.000 0.197 129 D C 0.535 176.764 176.300 -0.118 0.000 1.004 129 D CA 1.753 55.686 54.000 -0.112 0.000 0.864 129 D CB -0.424 40.345 40.800 -0.052 0.000 1.027 129 D HN 0.568 nan 8.370 nan 0.000 0.455 130 N N 0.053 118.700 118.700 -0.090 0.000 2.569 130 N HA 0.032 4.772 4.740 0.001 0.000 0.254 130 N C -0.015 175.463 175.510 -0.053 0.000 1.004 130 N CA -0.124 52.893 53.050 -0.055 0.000 0.904 130 N CB 1.491 39.987 38.487 0.016 0.000 1.165 130 N HN 0.056 nan 8.380 nan 0.000 0.513 131 E N 2.175 122.285 120.200 -0.149 0.000 2.112 131 E HA -0.103 4.247 4.350 0.001 0.000 0.190 131 E C 0.324 176.970 176.600 0.078 0.000 0.979 131 E CA 0.917 57.228 56.400 -0.149 0.000 0.814 131 E CB 0.383 29.853 29.700 -0.382 0.000 0.762 131 E HN 0.532 nan 8.360 nan 0.000 0.460 132 E N 0.033 120.261 120.200 0.047 0.000 2.058 132 E HA -0.147 4.204 4.350 0.001 0.000 0.194 132 E C 2.022 178.718 176.600 0.160 0.000 0.997 132 E CA 1.847 58.302 56.400 0.092 0.000 0.801 132 E CB -0.456 29.275 29.700 0.051 0.000 0.746 132 E HN 0.125 nan 8.360 nan 0.000 0.450 133 T N 0.433 115.091 114.554 0.174 0.000 2.867 133 T HA -0.094 4.257 4.350 0.001 0.000 0.268 133 T C 1.358 176.210 174.700 0.254 0.000 1.057 133 T CA 0.632 62.883 62.100 0.252 0.000 1.136 133 T CB -0.368 68.645 68.868 0.242 0.000 0.874 133 T HN 0.087 nan 8.240 nan 0.000 0.466 134 F N 1.985 121.977 119.950 0.070 0.000 2.025 134 F HA -0.143 4.385 4.527 0.001 0.000 0.297 134 F C 1.996 177.844 175.800 0.080 0.000 1.132 134 F CA 1.431 59.457 58.000 0.043 0.000 1.191 134 F CB -0.615 38.415 39.000 0.050 0.000 0.963 134 F HN 0.060 nan 8.300 nan 0.000 0.481 135 L N -0.118 121.276 121.223 0.285 0.000 2.042 135 L HA -0.271 4.070 4.340 0.001 0.000 0.210 135 L C 2.402 179.369 176.870 0.161 0.000 1.076 135 L CA 1.749 56.723 54.840 0.224 0.000 0.749 135 L CB -0.889 41.313 42.059 0.238 0.000 0.893 135 L HN 0.145 nan 8.230 nan 0.000 0.432 136 K N 0.607 121.100 120.400 0.155 0.000 2.152 136 K HA -0.220 4.101 4.320 0.001 0.000 0.206 136 K C 2.531 179.115 176.600 -0.027 0.000 1.048 136 K CA 1.898 58.281 56.287 0.160 0.000 0.933 136 K CB -0.353 32.343 32.500 0.326 0.000 0.721 136 K HN 0.360 nan 8.250 nan 0.000 0.447 137 K N 1.043 121.289 120.400 -0.256 0.000 2.057 137 K HA -0.185 4.136 4.320 0.001 0.000 0.206 137 K C 1.845 178.310 176.600 -0.224 0.000 1.050 137 K CA 1.562 57.514 56.287 -0.559 0.000 0.935 137 K CB -1.245 30.935 32.500 -0.534 0.000 0.715 137 K HN 0.267 nan 8.250 nan 0.000 0.439 138 Y N 1.515 121.658 120.300 -0.263 0.000 2.053 138 Y HA -0.213 4.338 4.550 0.001 0.000 0.277 138 Y C 2.095 177.844 175.900 -0.251 0.000 1.159 138 Y CA 2.065 59.991 58.100 -0.290 0.000 1.125 138 Y CB -0.389 37.908 38.460 -0.272 0.000 0.969 138 Y HN 0.152 nan 8.280 nan 0.000 0.492 139 L N -1.118 120.010 121.223 -0.158 0.000 1.956 139 L HA -0.310 4.030 4.340 0.001 0.000 0.216 139 L C 2.441 179.169 176.870 -0.235 0.000 1.073 139 L CA 2.127 56.819 54.840 -0.247 0.000 0.762 139 L CB -1.452 40.581 42.059 -0.045 0.000 0.889 139 L HN 0.364 nan 8.230 nan 0.000 0.433 140 Y N 1.179 121.356 120.300 -0.206 0.000 2.029 140 Y HA -0.369 4.182 4.550 0.001 0.000 0.269 140 Y C 2.670 178.461 175.900 -0.181 0.000 1.201 140 Y CA 2.117 60.136 58.100 -0.135 0.000 1.115 140 Y CB -0.379 38.022 38.460 -0.100 0.000 0.945 140 Y HN 0.178 nan 8.280 nan 0.000 0.497 141 E N 0.371 120.344 120.200 -0.378 0.000 2.013 141 E HA -0.216 4.134 4.350 0.001 0.000 0.202 141 E C 2.316 178.657 176.600 -0.431 0.000 1.018 141 E CA 1.768 57.889 56.400 -0.465 0.000 0.834 141 E CB -0.687 28.831 29.700 -0.303 0.000 0.770 141 E HN 0.507 nan 8.360 nan 0.000 0.459 142 I N 1.158 121.414 120.570 -0.524 0.000 2.151 142 I HA -0.243 3.928 4.170 0.001 0.000 0.243 142 I C 2.320 178.225 176.117 -0.353 0.000 1.080 142 I CA 1.469 62.453 61.300 -0.527 0.000 1.339 142 I CB -1.750 35.682 38.000 -0.946 0.000 1.039 142 I HN -0.024 nan 8.210 nan 0.000 0.409 143 A N 1.038 123.635 122.820 -0.372 0.000 2.209 143 A HA -0.144 4.177 4.320 0.001 0.000 0.212 143 A C 2.318 179.811 177.584 -0.150 0.000 1.158 143 A CA 1.099 53.001 52.037 -0.224 0.000 0.742 143 A CB -0.620 18.257 19.000 -0.204 0.000 0.790 143 A HN 0.640 nan 8.150 nan 0.000 0.472 144 R N -1.384 118.988 120.500 -0.214 0.000 2.254 144 R HA 0.196 4.537 4.340 0.001 0.000 0.193 144 R C 1.456 177.683 176.300 -0.122 0.000 0.929 144 R CA 0.229 56.218 56.100 -0.186 0.000 1.038 144 R CB -0.109 29.988 30.300 -0.340 0.000 1.009 144 R HN 0.314 nan 8.270 nan 0.000 0.512 145 R N 0.093 120.540 120.500 -0.087 0.000 2.300 145 R HA 0.114 4.454 4.340 0.001 0.000 0.199 145 R C -0.390 175.780 176.300 -0.217 0.000 0.920 145 R CA 0.359 56.397 56.100 -0.104 0.000 1.046 145 R CB 0.318 30.584 30.300 -0.058 0.000 0.984 145 R HN 0.344 nan 8.270 nan 0.000 0.493 146 H N -0.144 118.909 119.070 -0.029 0.000 2.538 146 H HA 0.138 4.694 4.556 0.001 0.000 0.239 146 H C -2.123 173.233 175.328 0.046 0.000 1.401 146 H CA -1.694 54.397 56.048 0.071 0.000 1.499 146 H CB 1.142 31.019 29.762 0.193 0.000 1.624 146 H HN -0.066 nan 8.280 nan 0.000 0.524 147 P HA -0.102 nan 4.420 nan 0.000 0.251 147 P C -0.167 176.888 177.300 -0.407 0.000 1.251 147 P CA 1.040 64.026 63.100 -0.189 0.000 0.763 147 P CB 0.041 31.579 31.700 -0.269 0.000 1.067 148 Y N -3.018 117.355 120.300 0.122 0.000 2.499 148 Y HA 0.268 4.819 4.550 0.001 0.000 0.253 148 Y C 0.962 176.946 175.900 0.140 0.000 1.105 148 Y CA -0.905 57.254 58.100 0.099 0.000 1.240 148 Y CB -0.068 38.420 38.460 0.047 0.000 1.289 148 Y HN -0.248 nan 8.280 nan 0.000 0.534 149 F N 1.817 121.861 119.950 0.155 0.000 2.579 149 F HA -0.179 4.348 4.527 0.001 0.000 0.397 149 F C 0.425 176.331 175.800 0.178 0.000 1.027 149 F CA -0.363 57.703 58.000 0.110 0.000 1.217 149 F CB 0.066 39.054 39.000 -0.020 0.000 0.986 149 F HN 0.064 nan 8.300 nan 0.000 0.551 150 Y N 7.618 127.981 120.300 0.106 0.000 2.828 150 Y HA 0.167 4.717 4.550 0.001 0.000 0.364 150 Y C 1.132 177.236 175.900 0.339 0.000 1.277 150 Y CA -0.537 57.678 58.100 0.192 0.000 1.713 150 Y CB -0.221 38.321 38.460 0.137 0.000 1.278 150 Y HN 0.767 nan 8.280 nan 0.000 0.502 151 A N 7.851 130.811 122.820 0.233 0.000 1.873 151 A HA -0.273 4.047 4.320 0.001 0.000 0.219 151 A C -0.224 177.350 177.584 -0.018 0.000 1.269 151 A CA 2.234 54.313 52.037 0.070 0.000 0.671 151 A CB -1.944 17.056 19.000 -0.001 0.000 0.842 151 A HN 0.624 nan 8.150 nan 0.000 0.460 152 P HA -0.197 nan 4.420 nan 0.000 0.215 152 P C 1.341 178.662 177.300 0.036 0.000 1.163 152 P CA 1.637 64.644 63.100 -0.154 0.000 0.894 152 P CB -0.189 31.303 31.700 -0.348 0.000 0.791 153 E N -0.942 119.291 120.200 0.054 0.000 2.130 153 E HA -0.200 4.151 4.350 0.001 0.000 0.196 153 E C 1.905 178.946 176.600 0.736 0.000 0.998 153 E CA 0.912 57.610 56.400 0.497 0.000 0.806 153 E CB -0.980 29.122 29.700 0.669 0.000 0.738 153 E HN 0.145 nan 8.360 nan 0.000 0.459 154 L N 0.913 122.420 121.223 0.475 0.000 2.046 154 L HA -0.149 4.191 4.340 0.001 0.000 0.208 154 L C 2.262 179.274 176.870 0.237 0.000 1.077 154 L CA 1.400 56.354 54.840 0.190 0.000 0.747 154 L CB -0.769 41.180 42.059 -0.183 0.000 0.896 154 L HN 0.098 nan 8.230 nan 0.000 0.432 155 L N -1.790 119.548 121.223 0.191 0.000 2.012 155 L HA -0.267 4.073 4.340 0.001 0.000 0.210 155 L C 2.530 179.520 176.870 0.199 0.000 1.073 155 L CA 1.668 56.603 54.840 0.158 0.000 0.748 155 L CB -0.931 41.196 42.059 0.114 0.000 0.891 155 L HN 0.291 nan 8.230 nan 0.000 0.431 156 F N 0.673 120.694 119.950 0.117 0.000 2.126 156 F HA -0.258 4.270 4.527 0.001 0.000 0.299 156 F C 2.162 177.947 175.800 -0.026 0.000 1.096 156 F CA 1.433 59.440 58.000 0.012 0.000 1.255 156 F CB -0.482 38.490 39.000 -0.047 0.000 0.997 156 F HN -0.134 nan 8.300 nan 0.000 0.479 157 F N 0.285 120.203 119.950 -0.053 0.000 2.234 157 F HA -0.053 4.475 4.527 0.001 0.000 0.299 157 F C 2.544 178.289 175.800 -0.091 0.000 1.087 157 F CA 1.115 59.043 58.000 -0.121 0.000 1.340 157 F CB -1.221 37.840 39.000 0.101 0.000 1.031 157 F HN 0.083 nan 8.300 nan 0.000 0.500 158 A N 0.598 123.536 122.820 0.198 0.000 1.858 158 A HA -0.215 4.105 4.320 0.001 0.000 0.216 158 A C 2.411 180.004 177.584 0.015 0.000 1.190 158 A CA 2.702 54.817 52.037 0.131 0.000 0.617 158 A CB -1.329 17.787 19.000 0.194 0.000 0.827 158 A HN 0.290 nan 8.150 nan 0.000 0.443 159 K N 0.015 120.384 120.400 -0.051 0.000 1.977 159 K HA -0.221 4.099 4.320 0.001 0.000 0.218 159 K C 2.133 178.638 176.600 -0.159 0.000 1.051 159 K CA 1.926 58.155 56.287 -0.096 0.000 0.953 159 K CB -1.018 31.400 32.500 -0.136 0.000 0.727 159 K HN 0.606 nan 8.250 nan 0.000 0.445 160 R N -1.578 118.716 120.500 -0.343 0.000 2.133 160 R HA -0.180 4.161 4.340 0.001 0.000 0.247 160 R C 2.340 178.562 176.300 -0.129 0.000 1.151 160 R CA 1.888 57.805 56.100 -0.305 0.000 0.971 160 R CB -0.642 29.364 30.300 -0.490 0.000 0.866 160 R HN 0.681 nan 8.270 nan 0.000 0.447 161 Y N 1.723 121.868 120.300 -0.257 0.000 2.114 161 Y HA -0.254 4.296 4.550 0.001 0.000 0.284 161 Y C 2.448 178.290 175.900 -0.097 0.000 1.143 161 Y CA 1.627 59.571 58.100 -0.260 0.000 1.135 161 Y CB -0.297 37.782 38.460 -0.634 0.000 0.980 161 Y HN -0.106 nan 8.280 nan 0.000 0.499 162 K N -0.086 120.266 120.400 -0.081 0.000 2.032 162 K HA -0.193 4.128 4.320 0.001 0.000 0.209 162 K C 2.248 178.801 176.600 -0.079 0.000 1.048 162 K CA 1.383 57.631 56.287 -0.064 0.000 0.927 162 K CB -0.490 32.059 32.500 0.081 0.000 0.712 162 K HN 0.352 nan 8.250 nan 0.000 0.441 163 A N 0.900 123.679 122.820 -0.067 0.000 2.032 163 A HA -0.184 4.136 4.320 0.001 0.000 0.221 163 A C 2.239 179.752 177.584 -0.118 0.000 1.165 163 A CA 2.030 54.026 52.037 -0.069 0.000 0.645 163 A CB -0.731 18.220 19.000 -0.083 0.000 0.807 163 A HN 0.533 nan 8.150 nan 0.000 0.453 164 A N -1.140 121.566 122.820 -0.190 0.000 1.855 164 A HA 0.075 4.395 4.320 0.001 0.000 0.215 164 A C 1.940 179.292 177.584 -0.388 0.000 1.191 164 A CA 1.397 53.264 52.037 -0.283 0.000 0.613 164 A CB -0.720 18.070 19.000 -0.351 0.000 0.829 164 A HN 0.451 nan 8.150 nan 0.000 0.442 165 F N 0.747 120.378 119.950 -0.532 0.000 2.134 165 F HA -0.144 4.383 4.527 0.001 0.000 0.299 165 F C 2.778 178.334 175.800 -0.407 0.000 1.097 165 F CA 1.827 59.397 58.000 -0.717 0.000 1.264 165 F CB -0.916 37.100 39.000 -1.640 0.000 1.001 165 F HN 0.139 nan 8.300 nan 0.000 0.479 166 T N -0.412 114.118 114.554 -0.040 0.000 2.570 166 T HA -0.322 4.029 4.350 0.001 0.000 0.266 166 T C 1.868 176.605 174.700 0.062 0.000 1.071 166 T CA 1.954 64.156 62.100 0.171 0.000 1.172 166 T CB -0.455 68.490 68.868 0.129 0.000 0.864 166 T HN 0.378 nan 8.240 nan 0.000 0.421 167 E N -0.183 120.007 120.200 -0.017 0.000 2.005 167 E HA -0.178 4.172 4.350 0.001 0.000 0.198 167 E C 2.535 179.106 176.600 -0.048 0.000 1.010 167 E CA 1.724 58.104 56.400 -0.034 0.000 0.825 167 E CB -0.347 29.318 29.700 -0.059 0.000 0.769 167 E HN 0.496 nan 8.360 nan 0.000 0.456 168 c N 0.716 119.252 118.600 -0.105 0.000 2.391 168 c HA -0.193 4.378 4.570 0.001 0.000 0.276 168 c C 2.771 176.821 174.090 -0.066 0.000 1.217 168 c CA 0.741 57.000 56.329 -0.117 0.000 1.766 168 c CB -1.096 41.283 42.510 -0.219 0.000 2.046 168 c HN 0.638 nan 8.230 nan 0.000 0.475 169 c N 0.392 118.977 118.600 -0.026 0.000 2.503 169 c HA 0.118 4.688 4.570 0.001 0.000 0.285 169 c C 2.331 176.446 174.090 0.042 0.000 1.473 169 c CA 1.451 57.808 56.329 0.046 0.000 1.708 169 c CB -2.320 40.289 42.510 0.165 0.000 1.638 169 c HN 0.835 nan 8.230 nan 0.000 0.585 170 Q N -1.013 118.797 119.800 0.018 0.000 2.086 170 Q HA 0.681 5.022 4.340 0.001 0.000 0.220 170 Q C 0.251 176.250 176.000 -0.002 0.000 0.792 170 Q CA 0.632 56.442 55.803 0.012 0.000 1.062 170 Q CB 0.062 28.810 28.738 0.015 0.000 1.198 170 Q HN 0.627 nan 8.270 nan 0.000 0.466 171 A N -0.050 122.764 122.820 -0.010 0.000 2.303 171 A HA 0.842 5.163 4.320 0.001 0.000 0.317 171 A C 1.630 179.207 177.584 -0.012 0.000 1.149 171 A CA 0.185 52.212 52.037 -0.016 0.000 0.822 171 A CB 0.639 19.622 19.000 -0.028 0.000 1.131 171 A HN 1.116 nan 8.150 nan 0.000 0.493 172 A N 0.990 123.803 122.820 -0.011 0.000 1.903 172 A HA -0.135 4.185 4.320 0.001 0.000 0.219 172 A C 0.994 178.573 177.584 -0.010 0.000 1.191 172 A CA 2.303 54.335 52.037 -0.008 0.000 0.638 172 A CB -0.256 18.739 19.000 -0.008 0.000 0.823 172 A HN 0.741 nan 8.150 nan 0.000 0.451 173 D N -1.553 118.838 120.400 -0.014 0.000 2.456 173 D HA 0.484 5.124 4.640 0.001 0.000 0.287 173 D C 1.189 177.474 176.300 -0.026 0.000 1.186 173 D CA 0.570 54.560 54.000 -0.016 0.000 0.916 173 D CB 0.569 41.359 40.800 -0.016 0.000 1.029 173 D HN 0.238 nan 8.370 nan 0.000 0.498 174 K N 1.524 121.909 120.400 -0.025 0.000 2.074 174 K HA -0.137 4.183 4.320 0.001 0.000 0.209 174 K C 1.952 178.519 176.600 -0.056 0.000 1.048 174 K CA 1.773 58.035 56.287 -0.041 0.000 0.926 174 K CB -0.836 31.649 32.500 -0.025 0.000 0.713 174 K HN 0.448 nan 8.250 nan 0.000 0.444 175 A N 1.035 123.834 122.820 -0.036 0.000 1.865 175 A HA 0.178 4.498 4.320 0.001 0.000 0.217 175 A C 2.800 180.358 177.584 -0.044 0.000 1.191 175 A CA 2.506 54.522 52.037 -0.036 0.000 0.623 175 A CB -1.070 17.920 19.000 -0.017 0.000 0.826 175 A HN 1.141 nan 8.150 nan 0.000 0.444 176 A N -1.658 121.141 122.820 -0.035 0.000 2.125 176 A HA -0.121 4.199 4.320 0.001 0.000 0.219 176 A C 2.246 179.803 177.584 -0.045 0.000 1.156 176 A CA 1.725 53.742 52.037 -0.033 0.000 0.671 176 A CB -1.080 17.906 19.000 -0.024 0.000 0.794 176 A HN 0.851 nan 8.150 nan 0.000 0.459 177 c N -2.320 116.243 118.600 -0.062 0.000 2.541 177 c HA 0.339 4.909 4.570 0.001 0.000 0.284 177 c C 2.875 176.895 174.090 -0.115 0.000 1.341 177 c CA 1.099 57.381 56.329 -0.079 0.000 1.732 177 c CB -0.865 41.596 42.510 -0.081 0.000 2.126 177 c HN 0.651 nan 8.230 nan 0.000 0.505 178 L N 1.441 122.571 121.223 -0.156 0.000 1.993 178 L HA 0.150 4.490 4.340 0.001 0.000 0.206 178 L C 2.584 179.361 176.870 -0.156 0.000 1.074 178 L CA 2.467 57.168 54.840 -0.231 0.000 0.746 178 L CB -1.872 39.982 42.059 -0.341 0.000 0.896 178 L HN 0.575 nan 8.230 nan 0.000 0.435 179 L N -0.362 120.798 121.223 -0.104 0.000 2.058 179 L HA -0.288 4.052 4.340 0.001 0.000 0.226 179 L C 0.684 177.531 176.870 -0.039 0.000 1.089 179 L CA 2.320 57.127 54.840 -0.055 0.000 0.799 179 L CB -2.018 40.022 42.059 -0.032 0.000 0.900 179 L HN 0.356 nan 8.230 nan 0.000 0.442 180 P HA -0.167 nan 4.420 nan 0.000 0.212 180 P C 1.728 179.014 177.300 -0.022 0.000 1.180 180 P CA 2.273 65.360 63.100 -0.023 0.000 0.906 180 P CB -0.090 31.595 31.700 -0.025 0.000 0.782 181 K N -0.297 120.074 120.400 -0.048 0.000 2.218 181 K HA -0.129 4.191 4.320 0.001 0.000 0.205 181 K C 2.171 178.756 176.600 -0.026 0.000 1.046 181 K CA 2.353 58.611 56.287 -0.049 0.000 0.933 181 K CB -2.156 30.285 32.500 -0.098 0.000 0.728 181 K HN 0.188 nan 8.250 nan 0.000 0.454 182 L N 0.058 121.259 121.223 -0.037 0.000 2.418 182 L HA 0.100 4.440 4.340 0.001 0.000 0.218 182 L C 2.051 178.954 176.870 0.055 0.000 1.125 182 L CA 1.977 56.829 54.840 0.020 0.000 0.835 182 L CB -0.596 41.460 42.059 -0.006 0.000 0.953 182 L HN 0.474 nan 8.230 nan 0.000 0.454 183 D N -0.204 120.217 120.400 0.036 0.000 2.183 183 D HA 0.072 4.713 4.640 0.001 0.000 0.205 183 D C 2.418 178.757 176.300 0.065 0.000 0.962 183 D CA 1.429 55.458 54.000 0.048 0.000 0.849 183 D CB 0.074 40.894 40.800 0.033 0.000 0.978 183 D HN 0.660 nan 8.370 nan 0.000 0.488 184 E N 0.761 120.997 120.200 0.061 0.000 2.204 184 E HA -0.045 4.305 4.350 0.001 0.000 0.194 184 E C 2.139 178.815 176.600 0.126 0.000 0.989 184 E CA 0.495 56.943 56.400 0.079 0.000 0.824 184 E CB -0.826 28.909 29.700 0.058 0.000 0.756 184 E HN 0.272 nan 8.360 nan 0.000 0.477 185 L N -0.725 120.579 121.223 0.135 0.000 2.554 185 L HA 0.079 4.419 4.340 0.001 0.000 0.226 185 L C 2.703 179.693 176.870 0.199 0.000 1.137 185 L CA 0.950 55.920 54.840 0.218 0.000 0.863 185 L CB 0.051 42.236 42.059 0.210 0.000 0.985 185 L HN 0.365 nan 8.230 nan 0.000 0.451 186 R N 0.315 120.894 120.500 0.133 0.000 2.052 186 R HA -0.103 4.238 4.340 0.001 0.000 0.224 186 R C 1.745 178.102 176.300 0.094 0.000 1.165 186 R CA 1.508 57.665 56.100 0.096 0.000 0.939 186 R CB -0.281 30.065 30.300 0.077 0.000 0.834 186 R HN 0.137 nan 8.270 nan 0.000 0.435 187 D N 0.702 121.161 120.400 0.099 0.000 2.108 187 D HA -0.249 4.391 4.640 0.001 0.000 0.190 187 D C 1.746 178.120 176.300 0.124 0.000 0.995 187 D CA 1.769 55.827 54.000 0.097 0.000 0.834 187 D CB -0.486 40.365 40.800 0.085 0.000 0.967 187 D HN 0.483 nan 8.370 nan 0.000 0.446 188 E N 0.417 120.725 120.200 0.181 0.000 2.187 188 E HA -0.182 4.169 4.350 0.001 0.000 0.199 188 E C 2.064 178.829 176.600 0.275 0.000 1.004 188 E CA 1.342 57.909 56.400 0.278 0.000 0.813 188 E CB -0.210 29.724 29.700 0.391 0.000 0.736 188 E HN 0.298 nan 8.360 nan 0.000 0.468 189 G N 0.563 109.450 108.800 0.146 0.000 2.394 189 G HA2 -0.218 3.743 3.960 0.001 0.000 0.215 189 G HA3 -0.218 3.743 3.960 0.001 0.000 0.215 189 G C 1.425 176.273 174.900 -0.086 0.000 1.165 189 G CA 0.672 45.683 45.100 -0.149 0.000 0.784 189 G HN 0.167 nan 8.290 nan 0.000 0.535 190 K N 0.735 121.134 120.400 -0.002 0.000 2.025 190 K HA 0.119 4.439 4.320 0.001 0.000 0.207 190 K C 2.934 179.540 176.600 0.010 0.000 1.049 190 K CA 0.991 57.294 56.287 0.027 0.000 0.933 190 K CB -0.255 32.294 32.500 0.083 0.000 0.714 190 K HN 0.226 nan 8.250 nan 0.000 0.438 191 A N 1.121 123.970 122.820 0.047 0.000 1.883 191 A HA -0.244 4.076 4.320 0.001 0.000 0.217 191 A C 2.255 179.842 177.584 0.006 0.000 1.186 191 A CA 2.248 54.325 52.037 0.067 0.000 0.624 191 A CB -0.939 18.122 19.000 0.101 0.000 0.822 191 A HN 0.304 nan 8.150 nan 0.000 0.444 192 S N -0.914 114.770 115.700 -0.026 0.000 2.400 192 S HA -0.144 4.326 4.470 0.001 0.000 0.232 192 S C 2.244 176.626 174.600 -0.362 0.000 1.025 192 S CA 1.920 60.052 58.200 -0.113 0.000 0.993 192 S CB -0.401 62.755 63.200 -0.074 0.000 0.808 192 S HN 0.611 nan 8.310 nan 0.000 0.478 193 S N 0.047 115.479 115.700 -0.445 0.000 2.414 193 S HA 0.173 4.643 4.470 0.001 0.000 0.227 193 S C 1.968 176.468 174.600 -0.167 0.000 1.022 193 S CA 1.026 58.962 58.200 -0.441 0.000 0.958 193 S CB -0.593 62.478 63.200 -0.214 0.000 0.797 193 S HN 0.676 nan 8.310 nan 0.000 0.493 194 A N 2.082 124.844 122.820 -0.096 0.000 1.828 194 A HA -0.105 4.215 4.320 0.001 0.000 0.215 194 A C 2.000 179.515 177.584 -0.115 0.000 1.203 194 A CA 1.737 53.729 52.037 -0.075 0.000 0.614 194 A CB -0.853 18.125 19.000 -0.037 0.000 0.844 194 A HN 0.585 nan 8.150 nan 0.000 0.445 195 K N -1.064 119.275 120.400 -0.101 0.000 2.097 195 K HA -0.328 3.993 4.320 0.001 0.000 0.214 195 K C 2.339 178.820 176.600 -0.198 0.000 1.052 195 K CA 2.200 58.406 56.287 -0.135 0.000 0.932 195 K CB -0.240 32.211 32.500 -0.082 0.000 0.716 195 K HN 0.518 nan 8.250 nan 0.000 0.455 196 Q N 0.664 120.355 119.800 -0.182 0.000 2.119 196 Q HA -0.136 4.205 4.340 0.001 0.000 0.201 196 Q C 1.988 177.895 176.000 -0.155 0.000 0.972 196 Q CA 1.386 57.081 55.803 -0.181 0.000 0.847 196 Q CB -0.034 28.623 28.738 -0.135 0.000 0.903 196 Q HN 0.077 nan 8.270 nan 0.000 0.433 197 R N -0.242 120.172 120.500 -0.143 0.000 2.115 197 R HA -0.086 4.255 4.340 0.001 0.000 0.230 197 R C 1.804 177.966 176.300 -0.230 0.000 1.111 197 R CA 0.944 56.931 56.100 -0.190 0.000 0.976 197 R CB -0.771 29.440 30.300 -0.148 0.000 0.870 197 R HN 0.390 nan 8.270 nan 0.000 0.445 198 L N 0.741 121.838 121.223 -0.210 0.000 2.027 198 L HA -0.067 4.273 4.340 0.001 0.000 0.206 198 L C 1.580 178.311 176.870 -0.233 0.000 1.074 198 L CA 1.922 56.630 54.840 -0.220 0.000 0.745 198 L CB -0.629 41.276 42.059 -0.256 0.000 0.898 198 L HN 0.096 nan 8.230 nan 0.000 0.433 199 K N -1.033 119.200 120.400 -0.279 0.000 1.991 199 K HA -0.203 4.117 4.320 0.001 0.000 0.212 199 K C 2.145 178.627 176.600 -0.198 0.000 1.049 199 K CA 1.995 58.130 56.287 -0.253 0.000 0.932 199 K CB -0.703 31.581 32.500 -0.360 0.000 0.717 199 K HN 0.440 nan 8.250 nan 0.000 0.441 200 c N 0.561 119.047 118.600 -0.190 0.000 2.413 200 c HA -0.140 4.430 4.570 0.001 0.000 0.276 200 c C 2.913 176.912 174.090 -0.152 0.000 1.248 200 c CA 0.836 57.074 56.329 -0.152 0.000 1.742 200 c CB -1.031 41.399 42.510 -0.132 0.000 2.017 200 c HN 0.577 nan 8.230 nan 0.000 0.481 201 A N 0.584 123.298 122.820 -0.177 0.000 1.883 201 A HA -0.181 4.139 4.320 0.001 0.000 0.217 201 A C 2.233 179.844 177.584 0.044 0.000 1.186 201 A CA 2.424 54.402 52.037 -0.100 0.000 0.624 201 A CB -0.954 17.997 19.000 -0.082 0.000 0.822 201 A HN 0.572 nan 8.150 nan 0.000 0.444 202 S N 0.125 115.873 115.700 0.080 0.000 2.377 202 S HA -0.224 4.246 4.470 0.001 0.000 0.224 202 S C 1.869 176.590 174.600 0.202 0.000 1.042 202 S CA 1.809 60.144 58.200 0.224 0.000 1.086 202 S CB -0.737 62.549 63.200 0.143 0.000 0.995 202 S HN 0.484 nan 8.310 nan 0.000 0.428 203 L N 1.177 122.445 121.223 0.075 0.000 2.013 203 L HA -0.249 4.092 4.340 0.001 0.000 0.212 203 L C 3.303 180.177 176.870 0.008 0.000 1.073 203 L CA 2.023 56.877 54.840 0.024 0.000 0.753 203 L CB -1.085 40.902 42.059 -0.120 0.000 0.890 203 L HN 0.514 nan 8.230 nan 0.000 0.432 204 Q N 0.127 119.911 119.800 -0.027 0.000 2.123 204 Q HA -0.136 4.205 4.340 0.001 0.000 0.199 204 Q C 2.374 178.304 176.000 -0.117 0.000 0.966 204 Q CA 2.069 57.841 55.803 -0.051 0.000 0.845 204 Q CB -0.729 27.981 28.738 -0.047 0.000 0.907 204 Q HN 0.598 nan 8.270 nan 0.000 0.439 205 K N -0.830 119.451 120.400 -0.197 0.000 2.202 205 K HA 0.338 4.658 4.320 0.001 0.000 0.201 205 K C 1.664 177.838 176.600 -0.710 0.000 1.051 205 K CA 1.085 57.075 56.287 -0.496 0.000 0.977 205 K CB -0.104 31.973 32.500 -0.704 0.000 0.792 205 K HN 0.578 nan 8.250 nan 0.000 0.469 206 F N -0.386 119.564 119.950 0.000 0.000 2.717 206 F HA 0.434 4.962 4.527 0.001 0.000 0.297 206 F C 1.306 177.127 175.800 0.035 0.000 1.113 206 F CA 0.188 58.197 58.000 0.016 0.000 1.319 206 F CB 0.994 40.004 39.000 0.017 0.000 1.097 206 F HN 0.487 nan 8.300 nan 0.000 0.595 207 G N 0.677 109.569 108.800 0.152 0.000 2.603 207 G HA2 -0.206 3.755 3.960 0.001 0.000 0.686 207 G HA3 -0.206 3.755 3.960 0.001 0.000 0.686 207 G C 0.329 175.331 174.900 0.170 0.000 1.286 207 G CA -0.110 45.064 45.100 0.124 0.000 0.871 207 G HN 0.201 nan 8.290 nan 0.000 0.568 208 E N -0.155 120.131 120.200 0.144 0.000 2.017 208 E HA -0.155 4.196 4.350 0.001 0.000 0.193 208 E C 2.476 179.203 176.600 0.213 0.000 0.997 208 E CA 1.221 57.731 56.400 0.184 0.000 0.804 208 E CB -0.099 29.681 29.700 0.133 0.000 0.757 208 E HN 0.535 nan 8.360 nan 0.000 0.448 209 R N 0.010 120.605 120.500 0.159 0.000 2.153 209 R HA -0.257 4.083 4.340 0.001 0.000 0.252 209 R C 2.126 178.515 176.300 0.148 0.000 1.158 209 R CA 1.614 57.799 56.100 0.142 0.000 0.975 209 R CB -0.314 30.056 30.300 0.117 0.000 0.871 209 R HN 0.269 nan 8.270 nan 0.000 0.450 210 A N -0.010 122.912 122.820 0.170 0.000 1.872 210 A HA -0.158 4.162 4.320 0.001 0.000 0.214 210 A C 1.949 179.637 177.584 0.174 0.000 1.187 210 A CA 1.145 53.275 52.037 0.154 0.000 0.614 210 A CB -0.756 18.351 19.000 0.179 0.000 0.826 210 A HN 0.487 nan 8.150 nan 0.000 0.442 211 F N 0.887 120.906 119.950 0.115 0.000 2.095 211 F HA -0.177 4.351 4.527 0.001 0.000 0.298 211 F C 2.144 178.063 175.800 0.199 0.000 1.104 211 F CA 2.235 60.315 58.000 0.133 0.000 1.232 211 F CB -0.244 38.806 39.000 0.083 0.000 0.987 211 F HN 0.129 nan 8.300 nan 0.000 0.475 212 K N 0.215 120.711 120.400 0.160 0.000 2.032 212 K HA -0.192 4.128 4.320 0.001 0.000 0.209 212 K C 2.346 178.937 176.600 -0.016 0.000 1.048 212 K CA 1.487 57.818 56.287 0.073 0.000 0.927 212 K CB -0.728 31.857 32.500 0.142 0.000 0.712 212 K HN 0.356 nan 8.250 nan 0.000 0.441 213 A N 0.906 123.745 122.820 0.031 0.000 1.873 213 A HA -0.243 4.077 4.320 0.001 0.000 0.218 213 A C 1.984 179.528 177.584 -0.067 0.000 1.193 213 A CA 1.829 53.871 52.037 0.008 0.000 0.629 213 A CB -1.201 17.822 19.000 0.039 0.000 0.826 213 A HN 0.634 nan 8.150 nan 0.000 0.447 214 W N 0.502 121.663 121.300 -0.230 0.000 2.315 214 W HA -0.216 4.444 4.660 0.000 0.000 0.323 214 W C 2.550 178.871 176.519 -0.329 0.000 1.233 214 W CA 2.824 59.993 57.345 -0.293 0.000 1.267 214 W CB -0.521 28.716 29.460 -0.371 0.000 1.160 214 W HN 0.405 nan 8.180 nan 0.000 0.474 215 A N 0.013 122.568 122.820 -0.442 0.000 1.873 215 A HA -0.267 4.053 4.320 0.001 0.000 0.218 215 A C 2.076 179.397 177.584 -0.438 0.000 1.193 215 A CA 2.971 54.688 52.037 -0.533 0.000 0.629 215 A CB -1.451 17.370 19.000 -0.297 0.000 0.826 215 A HN 0.259 nan 8.150 nan 0.000 0.447 216 V N -0.213 119.551 119.914 -0.249 0.000 2.278 216 V HA -0.348 3.773 4.120 0.001 0.000 0.251 216 V C 3.051 179.014 176.094 -0.220 0.000 1.062 216 V CA 2.421 64.635 62.300 -0.144 0.000 1.038 216 V CB -1.342 30.467 31.823 -0.023 0.000 0.646 216 V HN 0.679 nan 8.190 nan 0.000 0.447 217 A N -0.025 122.607 122.820 -0.315 0.000 1.873 217 A HA -0.232 4.089 4.320 0.001 0.000 0.215 217 A C 2.298 179.618 177.584 -0.439 0.000 1.186 217 A CA 2.054 53.889 52.037 -0.335 0.000 0.616 217 A CB -0.531 18.272 19.000 -0.328 0.000 0.823 217 A HN 0.494 nan 8.150 nan 0.000 0.442 218 R N 0.176 120.247 120.500 -0.715 0.000 2.073 218 R HA -0.035 4.306 4.340 0.001 0.000 0.234 218 R C 1.892 177.867 176.300 -0.542 0.000 1.134 218 R CA 1.825 57.484 56.100 -0.735 0.000 0.952 218 R CB -0.720 28.808 30.300 -1.287 0.000 0.850 218 R HN 0.507 nan 8.270 nan 0.000 0.433 219 L N -0.429 120.490 121.223 -0.507 0.000 2.027 219 L HA -0.065 4.275 4.340 0.001 0.000 0.206 219 L C 2.335 178.975 176.870 -0.384 0.000 1.074 219 L CA 1.453 55.993 54.840 -0.499 0.000 0.745 219 L CB -0.642 41.248 42.059 -0.283 0.000 0.898 219 L HN 0.181 nan 8.230 nan 0.000 0.433 220 S N -0.494 115.069 115.700 -0.228 0.000 2.420 220 S HA -0.253 4.217 4.470 0.001 0.000 0.237 220 S C 1.963 176.468 174.600 -0.158 0.000 1.023 220 S CA 1.371 59.496 58.200 -0.125 0.000 0.991 220 S CB -0.200 62.940 63.200 -0.100 0.000 0.792 220 S HN 0.463 nan 8.310 nan 0.000 0.488 221 Q N -0.139 119.519 119.800 -0.237 0.000 2.163 221 Q HA 0.132 4.472 4.340 0.001 0.000 0.198 221 Q C 2.467 178.336 176.000 -0.219 0.000 0.954 221 Q CA 0.506 56.185 55.803 -0.206 0.000 0.851 221 Q CB 0.005 28.617 28.738 -0.210 0.000 0.928 221 Q HN 0.399 nan 8.270 nan 0.000 0.459 222 R N -0.125 120.149 120.500 -0.378 0.000 2.075 222 R HA -0.045 4.295 4.340 0.001 0.000 0.232 222 R C 0.087 176.278 176.300 -0.182 0.000 1.126 222 R CA 0.824 56.654 56.100 -0.450 0.000 0.963 222 R CB 0.213 29.946 30.300 -0.944 0.000 0.858 222 R HN 0.102 nan 8.270 nan 0.000 0.435 223 F N 1.207 121.125 119.950 -0.054 0.000 2.366 223 F HA 0.306 4.834 4.527 0.001 0.000 0.328 223 F C -1.609 174.167 175.800 -0.039 0.000 1.180 223 F CA -3.465 54.513 58.000 -0.038 0.000 1.232 223 F CB 0.794 39.781 39.000 -0.022 0.000 1.513 223 F HN -0.072 nan 8.300 nan 0.000 0.540 224 P HA -0.170 nan 4.420 nan 0.000 0.225 224 P C 1.343 178.666 177.300 0.039 0.000 1.148 224 P CA 1.439 64.553 63.100 0.024 0.000 0.779 224 P CB 0.228 31.913 31.700 -0.026 0.000 0.780 225 K N 0.267 120.704 120.400 0.062 0.000 2.186 225 K HA 0.313 4.633 4.320 0.001 0.000 0.202 225 K C 1.568 178.196 176.600 0.047 0.000 1.052 225 K CA 0.821 57.130 56.287 0.037 0.000 0.965 225 K CB -1.168 31.344 32.500 0.020 0.000 0.746 225 K HN 0.356 nan 8.250 nan 0.000 0.457 226 A N 1.622 124.489 122.820 0.077 0.000 2.520 226 A HA 0.286 4.607 4.320 0.001 0.000 0.235 226 A C 0.001 177.637 177.584 0.087 0.000 1.065 226 A CA -0.137 51.943 52.037 0.071 0.000 0.764 226 A CB -0.044 19.026 19.000 0.115 0.000 1.002 226 A HN 0.613 nan 8.150 nan 0.000 0.502 227 E N 0.178 120.426 120.200 0.079 0.000 2.318 227 E HA 0.235 4.586 4.350 0.001 0.000 0.265 227 E C 0.395 177.088 176.600 0.154 0.000 1.069 227 E CA -0.502 55.965 56.400 0.112 0.000 0.893 227 E CB 0.526 30.281 29.700 0.091 0.000 1.076 227 E HN 0.626 nan 8.360 nan 0.000 0.414 228 F N 2.329 122.305 119.950 0.043 0.000 2.043 228 F HA -0.303 4.225 4.527 0.001 0.000 0.297 228 F C 2.025 177.859 175.800 0.056 0.000 1.118 228 F CA 2.325 60.354 58.000 0.048 0.000 1.202 228 F CB -0.661 38.372 39.000 0.056 0.000 0.965 228 F HN 0.579 nan 8.300 nan 0.000 0.482 229 A N -0.774 121.970 122.820 -0.127 0.000 2.024 229 A HA -0.224 4.097 4.320 0.001 0.000 0.220 229 A C 2.053 179.552 177.584 -0.142 0.000 1.164 229 A CA 1.836 53.746 52.037 -0.213 0.000 0.643 229 A CB -0.843 18.134 19.000 -0.039 0.000 0.806 229 A HN 0.518 nan 8.150 nan 0.000 0.451 230 E N 0.024 120.194 120.200 -0.049 0.000 2.015 230 E HA -0.099 4.252 4.350 0.001 0.000 0.191 230 E C 1.914 178.507 176.600 -0.011 0.000 0.991 230 E CA 1.568 57.973 56.400 0.008 0.000 0.802 230 E CB -0.552 29.176 29.700 0.046 0.000 0.759 230 E HN 0.217 nan 8.360 nan 0.000 0.447 231 V N 0.718 120.624 119.914 -0.013 0.000 2.250 231 V HA -0.336 3.785 4.120 0.001 0.000 0.250 231 V C 2.372 178.407 176.094 -0.097 0.000 1.060 231 V CA 2.205 64.507 62.300 0.003 0.000 1.030 231 V CB -0.954 30.895 31.823 0.042 0.000 0.643 231 V HN 0.252 nan 8.190 nan 0.000 0.445 232 S N -0.241 115.281 115.700 -0.296 0.000 2.402 232 S HA -0.280 4.190 4.470 0.001 0.000 0.233 232 S C 2.279 176.793 174.600 -0.142 0.000 1.030 232 S CA 2.132 60.146 58.200 -0.310 0.000 1.003 232 S CB -0.570 62.301 63.200 -0.549 0.000 0.813 232 S HN 0.805 nan 8.310 nan 0.000 0.477 233 K N 1.270 121.602 120.400 -0.114 0.000 2.116 233 K HA 0.231 4.551 4.320 0.001 0.000 0.203 233 K C 1.968 178.529 176.600 -0.063 0.000 1.052 233 K CA 1.058 57.292 56.287 -0.088 0.000 0.952 233 K CB -1.148 31.294 32.500 -0.097 0.000 0.729 233 K HN 0.409 nan 8.250 nan 0.000 0.446 234 L N 0.616 121.833 121.223 -0.011 0.000 2.083 234 L HA -0.154 4.186 4.340 0.001 0.000 0.209 234 L C 2.582 179.495 176.870 0.071 0.000 1.083 234 L CA 0.935 55.806 54.840 0.052 0.000 0.752 234 L CB -0.444 41.698 42.059 0.139 0.000 0.899 234 L HN 0.196 nan 8.230 nan 0.000 0.433 235 V N -0.695 119.248 119.914 0.048 0.000 2.307 235 V HA -0.262 3.858 4.120 0.001 0.000 0.245 235 V C 2.535 178.701 176.094 0.120 0.000 1.045 235 V CA 2.320 64.666 62.300 0.077 0.000 1.024 235 V CB -0.875 30.965 31.823 0.028 0.000 0.651 235 V HN 0.472 nan 8.190 nan 0.000 0.449 236 T N -0.421 114.172 114.554 0.065 0.000 2.746 236 T HA -0.190 4.160 4.350 0.001 0.000 0.267 236 T C 1.635 176.384 174.700 0.081 0.000 1.039 236 T CA 1.669 63.812 62.100 0.072 0.000 1.142 236 T CB -0.348 68.535 68.868 0.024 0.000 0.866 236 T HN 0.463 nan 8.240 nan 0.000 0.444 237 D N 0.959 121.390 120.400 0.051 0.000 2.077 237 D HA -0.037 4.603 4.640 0.001 0.000 0.193 237 D C 2.125 178.496 176.300 0.118 0.000 0.989 237 D CA 0.636 54.664 54.000 0.048 0.000 0.831 237 D CB -0.663 40.136 40.800 -0.002 0.000 0.979 237 D HN 0.102 nan 8.370 nan 0.000 0.449 238 L N 1.167 122.496 121.223 0.177 0.000 1.997 238 L HA -0.224 4.117 4.340 0.001 0.000 0.216 238 L C 2.297 179.394 176.870 0.378 0.000 1.074 238 L CA 1.948 56.968 54.840 0.300 0.000 0.763 238 L CB -1.218 41.056 42.059 0.358 0.000 0.890 238 L HN 0.020 nan 8.230 nan 0.000 0.434 239 T N -0.366 114.426 114.554 0.396 0.000 2.737 239 T HA -0.251 4.099 4.350 0.001 0.000 0.269 239 T C 2.059 176.829 174.700 0.117 0.000 1.040 239 T CA 2.216 64.524 62.100 0.346 0.000 1.142 239 T CB -0.392 68.693 68.868 0.363 0.000 0.861 239 T HN 0.614 nan 8.240 nan 0.000 0.456 240 K N 0.837 121.305 120.400 0.113 0.000 2.062 240 K HA 0.092 4.412 4.320 0.001 0.000 0.205 240 K C 2.459 179.085 176.600 0.044 0.000 1.051 240 K CA 1.208 57.532 56.287 0.063 0.000 0.941 240 K CB -1.226 31.309 32.500 0.058 0.000 0.719 240 K HN 0.301 nan 8.250 nan 0.000 0.440 241 V N 1.368 121.311 119.914 0.050 0.000 2.220 241 V HA -0.313 3.807 4.120 0.001 0.000 0.246 241 V C 2.507 178.572 176.094 -0.049 0.000 1.049 241 V CA 1.975 64.273 62.300 -0.003 0.000 1.003 241 V CB -0.678 31.127 31.823 -0.030 0.000 0.634 241 V HN 0.708 nan 8.190 nan 0.000 0.444 242 H N -0.381 118.693 119.070 0.007 0.000 2.421 242 H HA -0.117 4.439 4.556 0.001 0.000 0.298 242 H C 2.485 177.717 175.328 -0.159 0.000 1.087 242 H CA 1.923 57.895 56.048 -0.127 0.000 1.330 242 H CB -0.432 29.116 29.762 -0.356 0.000 1.388 242 H HN 0.411 nan 8.280 nan 0.000 0.526 243 T N 0.725 115.247 114.554 -0.053 0.000 2.708 243 T HA -0.137 4.213 4.350 0.001 0.000 0.266 243 T C 1.961 176.668 174.700 0.012 0.000 1.037 243 T CA 1.455 63.525 62.100 -0.050 0.000 1.146 243 T CB -0.039 68.813 68.868 -0.026 0.000 0.865 243 T HN 0.437 nan 8.240 nan 0.000 0.435 244 E N -0.119 120.097 120.200 0.026 0.000 2.023 244 E HA -0.136 4.215 4.350 0.001 0.000 0.196 244 E C 2.557 179.190 176.600 0.054 0.000 1.003 244 E CA 1.342 57.767 56.400 0.042 0.000 0.809 244 E CB -0.302 29.417 29.700 0.031 0.000 0.755 244 E HN 0.382 nan 8.360 nan 0.000 0.449 245 c N 0.196 118.837 118.600 0.069 0.000 2.376 245 c HA -0.254 4.317 4.570 0.001 0.000 0.275 245 c C 2.919 177.077 174.090 0.113 0.000 1.200 245 c CA 0.880 57.274 56.329 0.109 0.000 1.756 245 c CB -0.893 41.753 42.510 0.227 0.000 2.050 245 c HN 0.654 nan 8.230 nan 0.000 0.460 246 c N -0.801 117.871 118.600 0.119 0.000 2.401 246 c HA -0.185 4.386 4.570 0.001 0.000 0.276 246 c C 2.919 177.104 174.090 0.158 0.000 1.233 246 c CA 1.919 58.341 56.329 0.156 0.000 1.753 246 c CB -2.164 40.404 42.510 0.096 0.000 2.029 246 c HN 0.895 nan 8.230 nan 0.000 0.478 247 H N -1.557 117.586 119.070 0.122 0.000 2.546 247 H HA 0.350 4.906 4.556 0.001 0.000 0.277 247 H C 2.147 177.583 175.328 0.179 0.000 1.004 247 H CA 1.722 57.861 56.048 0.151 0.000 1.231 247 H CB -0.567 29.272 29.762 0.129 0.000 1.382 247 H HN 0.838 nan 8.280 nan 0.000 0.580 248 G N 0.162 109.018 108.800 0.092 0.000 2.176 248 G HA2 -0.204 3.756 3.960 0.001 0.000 0.232 248 G HA3 -0.204 3.756 3.960 0.001 0.000 0.232 248 G C 0.029 174.889 174.900 -0.068 0.000 0.986 248 G CA 0.259 45.348 45.100 -0.019 0.000 0.643 248 G HN 0.604 nan 8.290 nan 0.000 0.522 249 D N 1.706 122.098 120.400 -0.014 0.000 2.982 249 D HA 0.295 4.935 4.640 0.001 0.000 0.238 249 D C 2.349 178.606 176.300 -0.072 0.000 1.168 249 D CA -0.196 53.757 54.000 -0.078 0.000 0.947 249 D CB -0.336 40.463 40.800 -0.001 0.000 1.147 249 D HN 0.469 nan 8.370 nan 0.000 0.450 250 L N -0.626 120.546 121.223 -0.085 0.000 2.021 250 L HA -0.252 4.088 4.340 0.001 0.000 0.215 250 L C 2.295 179.122 176.870 -0.071 0.000 1.074 250 L CA 1.142 55.944 54.840 -0.065 0.000 0.760 250 L CB -0.680 41.333 42.059 -0.076 0.000 0.889 250 L HN 0.275 nan 8.230 nan 0.000 0.433 251 L N -0.135 121.033 121.223 -0.092 0.000 1.956 251 L HA -0.255 4.085 4.340 0.001 0.000 0.216 251 L C 2.680 179.512 176.870 -0.063 0.000 1.073 251 L CA 1.628 56.417 54.840 -0.086 0.000 0.762 251 L CB -0.661 41.347 42.059 -0.085 0.000 0.889 251 L HN 0.232 nan 8.230 nan 0.000 0.433 252 E N -0.329 119.835 120.200 -0.061 0.000 2.065 252 E HA -0.305 4.046 4.350 0.001 0.000 0.201 252 E C 2.252 178.838 176.600 -0.023 0.000 1.016 252 E CA 1.861 58.239 56.400 -0.036 0.000 0.818 252 E CB -0.890 28.799 29.700 -0.018 0.000 0.749 252 E HN 0.627 nan 8.360 nan 0.000 0.453 253 c N 1.096 119.684 118.600 -0.020 0.000 2.398 253 c HA -0.176 4.394 4.570 0.001 0.000 0.276 253 c C 2.811 176.886 174.090 -0.026 0.000 1.222 253 c CA 1.525 57.850 56.329 -0.007 0.000 1.746 253 c CB -1.168 41.349 42.510 0.011 0.000 2.039 253 c HN 0.465 nan 8.230 nan 0.000 0.470 254 A N 0.159 122.951 122.820 -0.047 0.000 1.883 254 A HA -0.183 4.138 4.320 0.001 0.000 0.217 254 A C 2.101 179.666 177.584 -0.032 0.000 1.186 254 A CA 2.282 54.286 52.037 -0.056 0.000 0.624 254 A CB -1.048 17.918 19.000 -0.058 0.000 0.822 254 A HN 0.737 nan 8.150 nan 0.000 0.444 255 D N 0.031 120.412 120.400 -0.032 0.000 2.095 255 D HA -0.171 4.469 4.640 0.001 0.000 0.192 255 D C 1.398 177.698 176.300 -0.001 0.000 0.990 255 D CA 1.529 55.514 54.000 -0.026 0.000 0.836 255 D CB -0.443 40.315 40.800 -0.069 0.000 0.979 255 D HN 0.364 nan 8.370 nan 0.000 0.447 256 D N 0.071 120.472 120.400 0.002 0.000 2.220 256 D HA -0.220 4.421 4.640 0.001 0.000 0.198 256 D C 2.104 178.424 176.300 0.033 0.000 1.001 256 D CA 0.711 54.725 54.000 0.023 0.000 0.875 256 D CB -0.198 40.616 40.800 0.023 0.000 0.921 256 D HN 0.302 nan 8.370 nan 0.000 0.454 257 R N 0.435 120.948 120.500 0.021 0.000 2.115 257 R HA -0.030 4.310 4.340 0.001 0.000 0.226 257 R C 2.124 178.451 176.300 0.046 0.000 1.100 257 R CA 1.095 57.217 56.100 0.036 0.000 0.980 257 R CB 0.025 30.324 30.300 -0.001 0.000 0.875 257 R HN 0.088 nan 8.270 nan 0.000 0.445 258 A N 1.232 124.072 122.820 0.034 0.000 1.872 258 A HA -0.136 4.184 4.320 0.001 0.000 0.214 258 A C 1.603 179.225 177.584 0.064 0.000 1.187 258 A CA 1.526 53.589 52.037 0.043 0.000 0.614 258 A CB -0.420 18.600 19.000 0.033 0.000 0.826 258 A HN 0.317 nan 8.150 nan 0.000 0.442 259 D N -0.091 120.348 120.400 0.065 0.000 2.103 259 D HA -0.199 4.442 4.640 0.001 0.000 0.190 259 D C 1.861 178.232 176.300 0.119 0.000 0.997 259 D CA 1.695 55.748 54.000 0.088 0.000 0.833 259 D CB -0.652 40.194 40.800 0.077 0.000 0.961 259 D HN 0.326 nan 8.370 nan 0.000 0.447 260 L N 0.772 122.058 121.223 0.105 0.000 2.137 260 L HA -0.208 4.133 4.340 0.001 0.000 0.213 260 L C 2.113 179.084 176.870 0.169 0.000 1.085 260 L CA 1.994 56.916 54.840 0.135 0.000 0.760 260 L CB -0.427 41.698 42.059 0.110 0.000 0.893 260 L HN -0.000 nan 8.230 nan 0.000 0.434 261 A N -1.413 121.481 122.820 0.123 0.000 1.930 261 A HA -0.131 4.189 4.320 0.001 0.000 0.215 261 A C 2.365 179.999 177.584 0.083 0.000 1.176 261 A CA 1.478 53.574 52.037 0.099 0.000 0.632 261 A CB -0.418 18.625 19.000 0.072 0.000 0.819 261 A HN 0.356 nan 8.150 nan 0.000 0.445 262 K N -1.377 119.077 120.400 0.090 0.000 2.002 262 K HA -0.151 4.169 4.320 0.001 0.000 0.209 262 K C 1.983 178.619 176.600 0.060 0.000 1.048 262 K CA 1.423 57.749 56.287 0.065 0.000 0.930 262 K CB -1.217 31.328 32.500 0.075 0.000 0.714 262 K HN 0.740 nan 8.250 nan 0.000 0.438 263 Y N 0.999 121.309 120.300 0.016 0.000 2.165 263 Y HA -0.197 4.353 4.550 0.001 0.000 0.286 263 Y C 1.946 177.841 175.900 -0.008 0.000 1.155 263 Y CA 1.745 59.850 58.100 0.009 0.000 1.164 263 Y CB -0.240 38.231 38.460 0.020 0.000 0.978 263 Y HN 0.057 nan 8.280 nan 0.000 0.513 264 I N -1.440 119.205 120.570 0.124 0.000 2.202 264 I HA -0.344 3.826 4.170 0.001 0.000 0.242 264 I C 2.462 178.511 176.117 -0.113 0.000 1.091 264 I CA 1.105 62.413 61.300 0.013 0.000 1.368 264 I CB -0.727 37.314 38.000 0.069 0.000 1.058 264 I HN 0.303 nan 8.210 nan 0.000 0.410 265 c N 0.776 119.335 118.600 -0.069 0.000 2.425 265 c HA -0.137 4.433 4.570 0.001 0.000 0.277 265 c C 2.668 176.689 174.090 -0.116 0.000 1.280 265 c CA 0.810 57.091 56.329 -0.079 0.000 1.744 265 c CB -1.022 41.465 42.510 -0.037 0.000 1.989 265 c HN 0.488 nan 8.230 nan 0.000 0.491 266 E N 1.055 121.164 120.200 -0.152 0.000 2.023 266 E HA -0.183 4.168 4.350 0.001 0.000 0.196 266 E C 1.119 177.596 176.600 -0.204 0.000 1.003 266 E CA 1.420 57.717 56.400 -0.171 0.000 0.809 266 E CB -0.313 29.261 29.700 -0.210 0.000 0.755 266 E HN 0.685 nan 8.360 nan 0.000 0.449 267 N N 1.169 119.684 118.700 -0.309 0.000 2.471 267 N HA -0.072 4.668 4.740 0.001 0.000 0.205 267 N C 1.117 176.510 175.510 -0.194 0.000 1.251 267 N CA 0.026 52.918 53.050 -0.263 0.000 0.843 267 N CB 0.019 38.291 38.487 -0.358 0.000 1.044 267 N HN 0.205 nan 8.380 nan 0.000 0.461 268 Q N 0.769 120.466 119.800 -0.171 0.000 2.197 268 Q HA -0.330 4.011 4.340 0.001 0.000 0.211 268 Q C 1.591 177.509 176.000 -0.136 0.000 0.993 268 Q CA 2.300 58.010 55.803 -0.155 0.000 0.883 268 Q CB -0.276 28.393 28.738 -0.115 0.000 0.916 268 Q HN 0.647 nan 8.270 nan 0.000 0.418 269 D N -0.757 119.578 120.400 -0.108 0.000 2.178 269 D HA -0.051 4.589 4.640 0.001 0.000 0.202 269 D C 1.789 178.040 176.300 -0.082 0.000 0.974 269 D CA 1.130 55.080 54.000 -0.083 0.000 0.841 269 D CB -0.437 40.324 40.800 -0.064 0.000 0.953 269 D HN 0.409 nan 8.370 nan 0.000 0.478 270 S N -0.925 114.718 115.700 -0.095 0.000 2.527 270 S HA 0.218 4.688 4.470 0.001 0.000 0.222 270 S C 1.655 176.199 174.600 -0.094 0.000 0.985 270 S CA 0.205 58.360 58.200 -0.076 0.000 0.921 270 S CB 0.103 63.264 63.200 -0.066 0.000 0.772 270 S HN 0.624 nan 8.310 nan 0.000 0.529 271 I N -0.905 119.565 120.570 -0.166 0.000 4.049 271 I HA 0.219 4.390 4.170 0.001 0.000 0.237 271 I C 0.882 176.822 176.117 -0.294 0.000 1.076 271 I CA 0.065 61.195 61.300 -0.283 0.000 1.610 271 I CB 0.126 37.828 38.000 -0.496 0.000 1.544 271 I HN 0.110 nan 8.210 nan 0.000 0.458 272 S N -0.580 114.922 115.700 -0.330 0.000 2.627 272 S HA 0.341 4.811 4.470 0.001 0.000 0.283 272 S C 0.427 174.967 174.600 -0.101 0.000 1.127 272 S CA -0.018 58.078 58.200 -0.174 0.000 0.863 272 S CB 1.684 64.786 63.200 -0.163 0.000 1.121 272 S HN 0.310 nan 8.310 nan 0.000 0.479 273 S N 1.335 117.012 115.700 -0.038 0.000 2.503 273 S HA 0.209 4.679 4.470 0.001 0.000 0.215 273 S C 0.803 175.394 174.600 -0.014 0.000 1.003 273 S CA -0.265 57.918 58.200 -0.029 0.000 0.910 273 S CB -0.156 63.033 63.200 -0.017 0.000 0.790 273 S HN 0.635 nan 8.310 nan 0.000 0.514 274 K N 1.385 121.790 120.400 0.007 0.000 2.505 274 K HA 0.298 4.618 4.320 0.001 0.000 0.192 274 K C 1.733 178.346 176.600 0.022 0.000 1.025 274 K CA 0.732 57.033 56.287 0.023 0.000 1.086 274 K CB -0.552 31.977 32.500 0.050 0.000 0.840 274 K HN 0.555 nan 8.250 nan 0.000 0.514 275 L N 0.462 121.681 121.223 -0.006 0.000 2.567 275 L HA 0.123 4.463 4.340 0.001 0.000 0.225 275 L C 2.575 179.436 176.870 -0.014 0.000 1.119 275 L CA 1.527 56.359 54.840 -0.013 0.000 0.871 275 L CB -1.618 40.401 42.059 -0.066 0.000 1.036 275 L HN 0.273 nan 8.230 nan 0.000 0.459 276 K N 0.848 121.239 120.400 -0.016 0.000 1.972 276 K HA -0.281 4.040 4.320 0.001 0.000 0.227 276 K C 2.288 178.886 176.600 -0.003 0.000 1.046 276 K CA 3.233 59.512 56.287 -0.013 0.000 1.013 276 K CB -1.677 30.816 32.500 -0.011 0.000 0.741 276 K HN 1.083 nan 8.250 nan 0.000 0.446 277 E N -0.207 119.995 120.200 0.004 0.000 2.132 277 E HA -0.343 4.007 4.350 0.001 0.000 0.218 277 E C 2.299 178.908 176.600 0.014 0.000 1.058 277 E CA 1.708 58.115 56.400 0.011 0.000 0.882 277 E CB -2.091 27.619 29.700 0.015 0.000 0.774 277 E HN 0.732 nan 8.360 nan 0.000 0.467 278 c N 0.431 119.041 118.600 0.017 0.000 2.391 278 c HA -0.195 4.375 4.570 0.001 0.000 0.276 278 c C 3.046 177.144 174.090 0.014 0.000 1.217 278 c CA 0.913 57.254 56.329 0.019 0.000 1.766 278 c CB -1.723 40.801 42.510 0.024 0.000 2.046 278 c HN 0.776 nan 8.230 nan 0.000 0.475 279 c N 0.056 118.659 118.600 0.006 0.000 2.500 279 c HA 0.083 4.653 4.570 0.001 0.000 0.273 279 c C 2.822 176.916 174.090 0.006 0.000 1.428 279 c CA 1.202 57.532 56.329 0.002 0.000 1.766 279 c CB -1.733 40.769 42.510 -0.012 0.000 1.817 279 c HN 0.815 nan 8.230 nan 0.000 0.543 280 E N 1.145 121.350 120.200 0.008 0.000 2.122 280 E HA -0.065 4.286 4.350 0.001 0.000 0.190 280 E C 1.275 177.886 176.600 0.018 0.000 0.977 280 E CA 0.711 57.117 56.400 0.011 0.000 0.820 280 E CB -0.204 29.502 29.700 0.010 0.000 0.770 280 E HN 0.655 nan 8.360 nan 0.000 0.462 281 K N 0.843 121.257 120.400 0.023 0.000 2.285 281 K HA 0.327 4.648 4.320 0.001 0.000 0.255 281 K C -2.278 174.343 176.600 0.033 0.000 1.000 281 K CA -0.687 55.619 56.287 0.031 0.000 0.887 281 K CB 0.283 32.805 32.500 0.036 0.000 0.997 281 K HN 0.358 nan 8.250 nan 0.000 0.510 282 P HA 0.095 nan 4.420 nan 0.000 0.274 282 P C 0.996 178.325 177.300 0.049 0.000 1.237 282 P CA -0.586 62.542 63.100 0.047 0.000 0.793 282 P CB 0.309 32.044 31.700 0.057 0.000 0.977 283 L N 2.891 124.142 121.223 0.047 0.000 2.054 283 L HA -0.296 4.044 4.340 0.001 0.000 0.240 283 L C 1.763 178.661 176.870 0.047 0.000 1.107 283 L CA 2.185 57.052 54.840 0.045 0.000 0.833 283 L CB -1.693 40.394 42.059 0.046 0.000 0.929 283 L HN 0.342 nan 8.230 nan 0.000 0.447 284 L N -0.968 120.299 121.223 0.073 0.000 1.955 284 L HA -0.233 4.107 4.340 0.001 0.000 0.213 284 L C 2.961 179.827 176.870 -0.007 0.000 1.072 284 L CA 2.315 57.209 54.840 0.089 0.000 0.755 284 L CB -1.648 40.545 42.059 0.224 0.000 0.888 284 L HN 0.583 nan 8.230 nan 0.000 0.432 285 E N 0.665 120.889 120.200 0.041 0.000 2.219 285 E HA -0.300 4.050 4.350 0.001 0.000 0.198 285 E C 2.117 178.683 176.600 -0.056 0.000 0.998 285 E CA 1.850 58.212 56.400 -0.063 0.000 0.818 285 E CB -0.576 29.181 29.700 0.095 0.000 0.741 285 E HN 0.490 nan 8.360 nan 0.000 0.477 286 K N -0.256 120.140 120.400 -0.007 0.000 2.001 286 K HA -0.087 4.233 4.320 0.001 0.000 0.208 286 K C 2.657 179.258 176.600 0.002 0.000 1.048 286 K CA 1.257 57.548 56.287 0.006 0.000 0.932 286 K CB -0.195 32.317 32.500 0.021 0.000 0.715 286 K HN 0.340 nan 8.250 nan 0.000 0.437 287 S N -0.194 115.507 115.700 0.001 0.000 2.351 287 S HA -0.222 4.248 4.470 0.001 0.000 0.220 287 S C 1.790 176.386 174.600 -0.007 0.000 1.035 287 S CA 1.776 59.987 58.200 0.018 0.000 1.031 287 S CB -0.561 62.652 63.200 0.023 0.000 0.928 287 S HN 0.516 nan 8.310 nan 0.000 0.433 288 H N -0.087 118.856 119.070 -0.213 0.000 2.353 288 H HA -0.152 4.404 4.556 0.001 0.000 0.298 288 H C 2.472 177.690 175.328 -0.183 0.000 1.103 288 H CA 1.978 57.844 56.048 -0.304 0.000 1.293 288 H CB -0.678 28.524 29.762 -0.932 0.000 1.372 288 H HN 0.448 nan 8.280 nan 0.000 0.501 289 c N -0.108 118.451 118.600 -0.068 0.000 2.436 289 c HA -0.116 4.454 4.570 0.001 0.000 0.277 289 c C 2.761 176.837 174.090 -0.023 0.000 1.241 289 c CA 1.125 57.441 56.329 -0.022 0.000 1.721 289 c CB -1.329 41.190 42.510 0.015 0.000 2.043 289 c HN 0.695 nan 8.230 nan 0.000 0.472 290 I N 1.646 122.223 120.570 0.011 0.000 2.099 290 I HA -0.222 3.948 4.170 0.001 0.000 0.239 290 I C 2.869 179.028 176.117 0.071 0.000 1.066 290 I CA 1.911 63.254 61.300 0.071 0.000 1.324 290 I CB -0.914 37.146 38.000 0.100 0.000 1.037 290 I HN 0.394 nan 8.210 nan 0.000 0.401 291 A N -0.041 122.803 122.820 0.039 0.000 2.148 291 A HA -0.226 4.094 4.320 0.001 0.000 0.222 291 A C 1.684 179.258 177.584 -0.017 0.000 1.161 291 A CA 1.926 53.987 52.037 0.040 0.000 0.662 291 A CB -0.572 18.458 19.000 0.050 0.000 0.799 291 A HN 0.637 nan 8.150 nan 0.000 0.466 292 E N -1.232 118.930 120.200 -0.064 0.000 2.968 292 E HA 0.258 4.609 4.350 0.001 0.000 0.202 292 E C -0.425 176.165 176.600 -0.016 0.000 0.979 292 E CA -0.358 56.008 56.400 -0.056 0.000 1.192 292 E CB 0.909 30.539 29.700 -0.117 0.000 1.059 292 E HN 0.265 nan 8.360 nan 0.000 0.470 293 V N 1.945 121.868 119.914 0.016 0.000 3.051 293 V HA 0.033 4.153 4.120 0.001 0.000 0.306 293 V C 0.373 176.481 176.094 0.024 0.000 1.083 293 V CA -0.141 62.184 62.300 0.042 0.000 1.104 293 V CB 1.221 33.107 31.823 0.105 0.000 1.027 293 V HN 0.333 nan 8.190 nan 0.000 0.483 294 E N 4.862 125.076 120.200 0.023 0.000 2.374 294 E HA 0.260 4.610 4.350 0.001 0.000 0.260 294 E C -0.197 176.412 176.600 0.016 0.000 1.101 294 E CA -0.635 55.766 56.400 0.001 0.000 0.907 294 E CB 0.117 29.814 29.700 -0.005 0.000 1.014 294 E HN 0.829 nan 8.360 nan 0.000 0.427 295 N N 2.035 120.725 118.700 -0.018 0.000 2.518 295 N HA 0.068 4.809 4.740 0.001 0.000 0.266 295 N C -0.127 175.399 175.510 0.026 0.000 1.196 295 N CA -0.059 52.986 53.050 -0.010 0.000 0.947 295 N CB 0.420 38.871 38.487 -0.060 0.000 1.098 295 N HN 0.804 nan 8.380 nan 0.000 0.450 296 D N -0.342 120.104 120.400 0.076 0.000 2.339 296 D HA 0.144 4.785 4.640 0.001 0.000 0.245 296 D C 0.391 176.700 176.300 0.015 0.000 1.115 296 D CA -0.323 53.708 54.000 0.051 0.000 0.917 296 D CB 0.390 41.232 40.800 0.069 0.000 1.192 296 D HN 0.571 nan 8.370 nan 0.000 0.428 297 E N 1.462 121.661 120.200 -0.002 0.000 2.537 297 E HA -0.005 4.345 4.350 0.001 0.000 0.269 297 E C 0.151 176.736 176.600 -0.024 0.000 1.038 297 E CA 0.181 56.570 56.400 -0.019 0.000 0.977 297 E CB 0.073 29.761 29.700 -0.020 0.000 0.973 297 E HN 0.670 nan 8.360 nan 0.000 0.456 298 M N 2.117 121.690 119.600 -0.044 0.000 2.180 298 M HA 0.347 4.827 4.480 0.001 0.000 0.358 298 M C -2.175 174.095 176.300 -0.050 0.000 1.233 298 M CA -1.659 53.607 55.300 -0.057 0.000 1.114 298 M CB 1.132 33.677 32.600 -0.092 0.000 1.594 298 M HN 0.295 nan 8.290 nan 0.000 0.467 299 P HA -0.045 nan 4.420 nan 0.000 0.259 299 P C -0.127 177.147 177.300 -0.044 0.000 1.163 299 P CA 0.201 63.279 63.100 -0.036 0.000 0.760 299 P CB 0.445 32.126 31.700 -0.032 0.000 0.762 300 A N 3.666 126.465 122.820 -0.036 0.000 1.863 300 A HA -0.139 4.181 4.320 0.001 0.000 0.218 300 A C 1.290 178.850 177.584 -0.040 0.000 1.233 300 A CA 2.238 54.253 52.037 -0.037 0.000 0.655 300 A CB -1.734 17.250 19.000 -0.027 0.000 0.839 300 A HN 0.605 nan 8.150 nan 0.000 0.454 301 D N -0.466 119.914 120.400 -0.033 0.000 2.454 301 D HA 0.609 5.250 4.640 0.001 0.000 0.225 301 D C -0.715 175.564 176.300 -0.035 0.000 1.081 301 D CA -0.385 53.595 54.000 -0.033 0.000 0.864 301 D CB 0.223 41.009 40.800 -0.024 0.000 1.040 301 D HN 0.364 nan 8.370 nan 0.000 0.517 302 L N 3.063 124.258 121.223 -0.046 0.000 2.305 302 L HA 0.506 4.846 4.340 0.001 0.000 0.284 302 L C -1.610 175.234 176.870 -0.042 0.000 1.013 302 L CA -1.582 53.229 54.840 -0.049 0.000 0.819 302 L CB 2.122 44.136 42.059 -0.074 0.000 1.227 302 L HN 0.480 nan 8.230 nan 0.000 0.417 303 P HA -0.014 nan 4.420 nan 0.000 0.267 303 P C -0.248 177.043 177.300 -0.015 0.000 1.201 303 P CA -0.190 62.899 63.100 -0.018 0.000 0.775 303 P CB 0.917 32.609 31.700 -0.013 0.000 0.854 304 S N 0.578 116.277 115.700 -0.002 0.000 2.564 304 S HA 0.087 4.558 4.470 0.001 0.000 0.278 304 S C 1.620 176.257 174.600 0.061 0.000 1.333 304 S CA -0.678 57.534 58.200 0.019 0.000 1.048 304 S CB -0.119 63.095 63.200 0.024 0.000 0.900 304 S HN 0.383 nan 8.310 nan 0.000 0.505 305 L N 4.212 125.504 121.223 0.115 0.000 2.046 305 L HA -0.112 4.229 4.340 0.001 0.000 0.208 305 L C 2.898 179.965 176.870 0.328 0.000 1.077 305 L CA 1.614 56.612 54.840 0.263 0.000 0.747 305 L CB -0.968 41.260 42.059 0.283 0.000 0.896 305 L HN 0.889 nan 8.230 nan 0.000 0.432 306 A N 0.162 123.079 122.820 0.162 0.000 2.042 306 A HA -0.269 4.052 4.320 0.001 0.000 0.222 306 A C 2.543 180.135 177.584 0.014 0.000 1.167 306 A CA 1.811 53.803 52.037 -0.075 0.000 0.649 306 A CB -0.685 18.138 19.000 -0.294 0.000 0.809 306 A HN 0.458 nan 8.150 nan 0.000 0.457 307 A N -0.104 122.731 122.820 0.026 0.000 1.884 307 A HA -0.241 4.080 4.320 0.001 0.000 0.219 307 A C 1.665 179.229 177.584 -0.033 0.000 1.197 307 A CA 2.036 54.070 52.037 -0.004 0.000 0.637 307 A CB -0.442 18.552 19.000 -0.010 0.000 0.827 307 A HN 0.499 nan 8.150 nan 0.000 0.450 308 D N -2.682 117.651 120.400 -0.112 0.000 2.407 308 D HA 0.204 4.844 4.640 0.001 0.000 0.208 308 D C 0.428 176.502 176.300 -0.376 0.000 1.083 308 D CA 0.287 54.109 54.000 -0.297 0.000 0.844 308 D CB 0.189 40.675 40.800 -0.524 0.000 0.967 308 D HN 0.475 nan 8.370 nan 0.000 0.506 309 F N -0.454 119.600 119.950 0.172 0.000 2.728 309 F HA 0.149 4.676 4.527 0.001 0.000 0.314 309 F C 1.773 177.679 175.800 0.178 0.000 1.094 309 F CA 0.016 58.157 58.000 0.236 0.000 1.217 309 F CB 0.744 39.876 39.000 0.220 0.000 1.056 309 F HN -0.209 nan 8.300 nan 0.000 0.577 310 V N -1.650 118.397 119.914 0.221 0.000 3.141 310 V HA 0.054 4.175 4.120 0.001 0.000 0.225 310 V C 1.669 177.893 176.094 0.217 0.000 1.352 310 V CA 0.423 62.815 62.300 0.153 0.000 1.316 310 V CB 0.339 32.122 31.823 -0.066 0.000 1.126 310 V HN 0.009 nan 8.190 nan 0.000 0.493 311 E N 0.666 120.928 120.200 0.104 0.000 2.076 311 E HA -0.003 4.347 4.350 0.001 0.000 0.190 311 E C 1.257 177.925 176.600 0.114 0.000 0.979 311 E CA 0.784 57.238 56.400 0.090 0.000 0.807 311 E CB 0.068 29.783 29.700 0.025 0.000 0.761 311 E HN 0.408 nan 8.360 nan 0.000 0.454 312 S N 0.008 115.764 115.700 0.093 0.000 2.550 312 S HA -0.004 4.467 4.470 0.001 0.000 0.285 312 S C 0.926 175.610 174.600 0.140 0.000 1.326 312 S CA 0.884 59.132 58.200 0.080 0.000 1.037 312 S CB 0.964 64.191 63.200 0.045 0.000 0.838 312 S HN 0.268 nan 8.310 nan 0.000 0.519 313 K N 1.326 121.785 120.400 0.098 0.000 2.353 313 K HA 0.261 4.581 4.320 0.001 0.000 0.195 313 K C 1.304 177.964 176.600 0.099 0.000 1.031 313 K CA 1.064 57.418 56.287 0.111 0.000 1.079 313 K CB -1.145 31.388 32.500 0.056 0.000 0.857 313 K HN 0.917 nan 8.250 nan 0.000 0.535 314 D N 0.178 120.615 120.400 0.063 0.000 2.342 314 D HA 0.345 4.985 4.640 0.001 0.000 0.221 314 D C 1.720 178.010 176.300 -0.017 0.000 1.101 314 D CA 0.670 54.681 54.000 0.019 0.000 0.837 314 D CB -0.305 40.490 40.800 -0.008 0.000 0.938 314 D HN 0.112 nan 8.370 nan 0.000 0.508 315 V N 0.267 120.205 119.914 0.039 0.000 2.219 315 V HA -0.329 3.792 4.120 0.001 0.000 0.248 315 V C 2.898 178.927 176.094 -0.108 0.000 1.053 315 V CA 2.144 64.430 62.300 -0.023 0.000 1.009 315 V CB -0.888 30.891 31.823 -0.073 0.000 0.636 315 V HN 0.746 nan 8.190 nan 0.000 0.445 316 c N 0.017 118.633 118.600 0.026 0.000 2.403 316 c HA -0.162 4.409 4.570 0.001 0.000 0.279 316 c C 3.164 177.275 174.090 0.035 0.000 1.269 316 c CA 1.453 57.827 56.329 0.075 0.000 1.774 316 c CB -1.437 41.158 42.510 0.141 0.000 1.993 316 c HN 0.727 nan 8.230 nan 0.000 0.496 317 K N 0.950 121.336 120.400 -0.023 0.000 2.001 317 K HA -0.140 4.180 4.320 0.001 0.000 0.208 317 K C 1.666 178.192 176.600 -0.124 0.000 1.048 317 K CA 1.830 58.087 56.287 -0.049 0.000 0.932 317 K CB -1.021 31.456 32.500 -0.038 0.000 0.715 317 K HN 0.618 nan 8.250 nan 0.000 0.437 318 N N -0.616 117.934 118.700 -0.250 0.000 2.149 318 N HA -0.150 4.590 4.740 0.001 0.000 0.188 318 N C 1.737 176.993 175.510 -0.422 0.000 1.019 318 N CA 1.676 54.482 53.050 -0.406 0.000 0.857 318 N CB -0.385 37.663 38.487 -0.731 0.000 0.997 318 N HN 0.595 nan 8.380 nan 0.000 0.426 319 Y N 1.541 121.497 120.300 -0.574 0.000 2.274 319 Y HA -0.057 4.494 4.550 0.001 0.000 0.290 319 Y C 2.246 178.094 175.900 -0.088 0.000 1.145 319 Y CA 1.181 59.128 58.100 -0.255 0.000 1.203 319 Y CB -0.351 38.034 38.460 -0.125 0.000 0.984 319 Y HN 0.065 nan 8.280 nan 0.000 0.533 320 A N -0.095 122.630 122.820 -0.157 0.000 1.975 320 A HA 0.043 4.363 4.320 0.001 0.000 0.215 320 A C 2.113 179.610 177.584 -0.144 0.000 1.170 320 A CA 1.472 53.399 52.037 -0.184 0.000 0.656 320 A CB -1.071 17.885 19.000 -0.073 0.000 0.821 320 A HN 0.514 nan 8.150 nan 0.000 0.449 321 E N -0.456 119.679 120.200 -0.108 0.000 2.072 321 E HA 0.410 4.760 4.350 0.001 0.000 0.190 321 E C 0.969 177.544 176.600 -0.041 0.000 0.982 321 E CA 1.222 57.584 56.400 -0.063 0.000 0.803 321 E CB -0.403 29.268 29.700 -0.048 0.000 0.755 321 E HN 1.370 nan 8.360 nan 0.000 0.453 322 A N -0.977 121.823 122.820 -0.034 0.000 3.156 322 A HA 0.605 4.925 4.320 0.001 0.000 0.311 322 A C 1.310 178.941 177.584 0.078 0.000 1.129 322 A CA 0.669 52.727 52.037 0.035 0.000 0.809 322 A CB 0.257 19.317 19.000 0.100 0.000 1.257 322 A HN 0.499 nan 8.150 nan 0.000 0.491 323 K N 0.500 120.873 120.400 -0.044 0.000 1.991 323 K HA -0.209 4.111 4.320 0.001 0.000 0.212 323 K C 1.369 178.085 176.600 0.193 0.000 1.049 323 K CA 2.276 58.544 56.287 -0.031 0.000 0.932 323 K CB -0.879 31.464 32.500 -0.262 0.000 0.717 323 K HN 0.652 nan 8.250 nan 0.000 0.441 324 D N 0.307 120.788 120.400 0.136 0.000 2.106 324 D HA -0.134 4.506 4.640 0.001 0.000 0.191 324 D C 2.036 178.474 176.300 0.229 0.000 0.997 324 D CA 1.890 55.993 54.000 0.171 0.000 0.834 324 D CB -0.321 40.558 40.800 0.131 0.000 0.956 324 D HN 0.213 nan 8.370 nan 0.000 0.448 325 V N 0.814 120.875 119.914 0.246 0.000 2.295 325 V HA -0.218 3.902 4.120 0.001 0.000 0.246 325 V C 2.221 178.507 176.094 0.321 0.000 1.049 325 V CA 1.329 63.811 62.300 0.303 0.000 1.024 325 V CB -0.671 31.325 31.823 0.287 0.000 0.648 325 V HN 0.130 nan 8.190 nan 0.000 0.447 326 F N 0.176 120.243 119.950 0.194 0.000 2.043 326 F HA -0.265 4.262 4.527 0.001 0.000 0.297 326 F C 2.244 178.209 175.800 0.276 0.000 1.121 326 F CA 1.856 60.011 58.000 0.258 0.000 1.199 326 F CB -0.094 39.102 39.000 0.327 0.000 0.968 326 F HN 0.017 nan 8.300 nan 0.000 0.478 327 L N -0.212 121.190 121.223 0.299 0.000 2.079 327 L HA -0.218 4.123 4.340 0.001 0.000 0.210 327 L C 2.758 179.683 176.870 0.090 0.000 1.081 327 L CA 1.315 56.258 54.840 0.172 0.000 0.752 327 L CB -1.519 40.683 42.059 0.240 0.000 0.896 327 L HN 0.367 nan 8.230 nan 0.000 0.433 328 G N -0.547 108.322 108.800 0.115 0.000 2.418 328 G HA2 -0.270 3.690 3.960 0.001 0.000 0.217 328 G HA3 -0.270 3.690 3.960 0.001 0.000 0.217 328 G C 1.639 176.432 174.900 -0.179 0.000 1.158 328 G CA 0.617 45.779 45.100 0.104 0.000 0.771 328 G HN 0.198 nan 8.290 nan 0.000 0.545 329 M N -0.707 118.655 119.600 -0.397 0.000 2.132 329 M HA 0.082 4.563 4.480 0.001 0.000 0.263 329 M C 2.291 178.356 176.300 -0.391 0.000 1.065 329 M CA 1.029 55.949 55.300 -0.633 0.000 1.122 329 M CB -0.294 32.071 32.600 -0.392 0.000 1.365 329 M HN 0.287 nan 8.290 nan 0.000 0.411 330 F N 1.146 120.742 119.950 -0.589 0.000 2.095 330 F HA -0.277 4.250 4.527 0.001 0.000 0.298 330 F C 1.960 177.426 175.800 -0.557 0.000 1.104 330 F CA 1.506 58.894 58.000 -1.019 0.000 1.232 330 F CB -0.404 37.916 39.000 -1.134 0.000 0.987 330 F HN 0.008 nan 8.300 nan 0.000 0.475 331 L N 0.360 121.367 121.223 -0.359 0.000 1.989 331 L HA -0.150 4.190 4.340 0.001 0.000 0.211 331 L C 2.891 179.578 176.870 -0.304 0.000 1.071 331 L CA 2.764 57.423 54.840 -0.302 0.000 0.749 331 L CB -1.908 40.094 42.059 -0.094 0.000 0.890 331 L HN 0.394 nan 8.230 nan 0.000 0.431 332 Y N -1.032 119.136 120.300 -0.219 0.000 2.128 332 Y HA -0.235 4.316 4.550 0.001 0.000 0.284 332 Y C 2.466 178.258 175.900 -0.180 0.000 1.154 332 Y CA 2.074 60.096 58.100 -0.130 0.000 1.149 332 Y CB -0.948 37.517 38.460 0.008 0.000 0.976 332 Y HN 0.354 nan 8.280 nan 0.000 0.505 333 E N -1.214 118.830 120.200 -0.260 0.000 2.110 333 E HA -0.162 4.188 4.350 0.001 0.000 0.193 333 E C 1.927 178.349 176.600 -0.297 0.000 0.988 333 E CA 1.443 57.708 56.400 -0.225 0.000 0.804 333 E CB -0.634 28.980 29.700 -0.144 0.000 0.745 333 E HN 0.879 nan 8.360 nan 0.000 0.458 334 Y N 1.043 121.012 120.300 -0.551 0.000 2.220 334 Y HA -0.098 4.452 4.550 0.001 0.000 0.291 334 Y C 2.274 177.997 175.900 -0.295 0.000 1.129 334 Y CA 1.081 58.884 58.100 -0.495 0.000 1.161 334 Y CB -0.431 37.529 38.460 -0.834 0.000 0.997 334 Y HN 0.011 nan 8.280 nan 0.000 0.522 335 A N 1.274 124.036 122.820 -0.097 0.000 1.834 335 A HA -0.276 4.044 4.320 0.001 0.000 0.216 335 A C 2.327 179.833 177.584 -0.130 0.000 1.203 335 A CA 2.450 54.425 52.037 -0.103 0.000 0.621 335 A CB -1.072 17.837 19.000 -0.150 0.000 0.841 335 A HN 0.564 nan 8.150 nan 0.000 0.446 336 R N -0.289 120.126 120.500 -0.142 0.000 2.174 336 R HA -0.205 4.135 4.340 0.001 0.000 0.253 336 R C 1.826 178.009 176.300 -0.194 0.000 1.165 336 R CA 2.030 58.047 56.100 -0.139 0.000 0.984 336 R CB -0.477 29.762 30.300 -0.101 0.000 0.873 336 R HN 0.528 nan 8.270 nan 0.000 0.456 337 R N -0.513 119.826 120.500 -0.267 0.000 2.275 337 R HA 0.096 4.437 4.340 0.001 0.000 0.199 337 R C 0.104 175.974 176.300 -0.718 0.000 0.989 337 R CA 0.392 56.229 56.100 -0.439 0.000 1.016 337 R CB 0.227 30.231 30.300 -0.493 0.000 0.918 337 R HN 0.368 nan 8.270 nan 0.000 0.473 338 H N 0.464 119.337 119.070 -0.328 0.000 2.569 338 H HA 0.155 4.711 4.556 0.001 0.000 0.247 338 H C -2.022 173.132 175.328 -0.290 0.000 1.346 338 H CA -1.753 54.032 56.048 -0.438 0.000 1.502 338 H CB 1.694 30.966 29.762 -0.817 0.000 1.512 338 H HN 0.018 nan 8.280 nan 0.000 0.502 339 P HA -0.001 nan 4.420 nan 0.000 0.255 339 P C 0.585 177.872 177.300 -0.022 0.000 1.248 339 P CA 0.370 63.421 63.100 -0.082 0.000 0.807 339 P CB 0.450 32.092 31.700 -0.097 0.000 1.150 340 D N -2.128 118.275 120.400 0.005 0.000 2.349 340 D HA -0.026 4.615 4.640 0.001 0.000 0.214 340 D C 0.051 176.521 176.300 0.284 0.000 1.063 340 D CA -0.154 53.908 54.000 0.104 0.000 0.847 340 D CB -0.317 40.544 40.800 0.102 0.000 0.933 340 D HN 0.049 nan 8.370 nan 0.000 0.513 341 Y N 1.688 121.994 120.300 0.009 0.000 2.419 341 Y HA 0.369 4.920 4.550 0.001 0.000 0.328 341 Y C 1.225 177.093 175.900 -0.052 0.000 1.162 341 Y CA -2.418 55.656 58.100 -0.042 0.000 1.174 341 Y CB 1.496 39.903 38.460 -0.090 0.000 1.228 341 Y HN -0.109 nan 8.280 nan 0.000 0.473 342 S N -0.189 115.554 115.700 0.072 0.000 2.624 342 S HA 0.232 4.702 4.470 0.001 0.000 0.263 342 S C 0.835 175.436 174.600 0.003 0.000 1.287 342 S CA -0.603 57.612 58.200 0.025 0.000 0.990 342 S CB 0.880 64.075 63.200 -0.009 0.000 0.950 342 S HN 0.376 nan 8.310 nan 0.000 0.561 343 V N 1.458 121.374 119.914 0.003 0.000 2.667 343 V HA -0.106 4.014 4.120 0.001 0.000 0.252 343 V C 2.435 178.516 176.094 -0.022 0.000 1.065 343 V CA 1.540 63.814 62.300 -0.043 0.000 1.083 343 V CB -0.802 30.997 31.823 -0.040 0.000 0.692 343 V HN 0.848 nan 8.190 nan 0.000 0.468 344 V N -1.594 118.320 119.914 -0.001 0.000 2.453 344 V HA -0.147 3.974 4.120 0.001 0.000 0.247 344 V C 2.355 178.386 176.094 -0.106 0.000 1.048 344 V CA 1.594 63.871 62.300 -0.039 0.000 1.049 344 V CB -0.889 30.909 31.823 -0.043 0.000 0.672 344 V HN 0.456 nan 8.190 nan 0.000 0.457 345 L N 0.121 121.262 121.223 -0.136 0.000 2.017 345 L HA -0.055 4.285 4.340 0.001 0.000 0.208 345 L C 2.297 179.000 176.870 -0.278 0.000 1.073 345 L CA 1.822 56.521 54.840 -0.235 0.000 0.745 345 L CB -0.764 41.100 42.059 -0.324 0.000 0.894 345 L HN 0.261 nan 8.230 nan 0.000 0.432 346 L N -1.114 119.989 121.223 -0.201 0.000 1.970 346 L HA -0.273 4.067 4.340 0.001 0.000 0.212 346 L C 2.563 179.286 176.870 -0.245 0.000 1.071 346 L CA 1.668 56.367 54.840 -0.234 0.000 0.751 346 L CB -0.570 41.401 42.059 -0.148 0.000 0.889 346 L HN 0.277 nan 8.230 nan 0.000 0.432 347 L N -0.773 120.354 121.223 -0.161 0.000 2.189 347 L HA -0.253 4.088 4.340 0.001 0.000 0.214 347 L C 2.792 179.584 176.870 -0.129 0.000 1.097 347 L CA 1.179 55.949 54.840 -0.117 0.000 0.764 347 L CB -0.413 41.607 42.059 -0.066 0.000 0.900 347 L HN 0.268 nan 8.230 nan 0.000 0.436 348 R N -0.374 120.021 120.500 -0.175 0.000 2.055 348 R HA -0.066 4.274 4.340 0.001 0.000 0.226 348 R C 2.282 178.448 176.300 -0.224 0.000 1.135 348 R CA 0.932 56.929 56.100 -0.172 0.000 0.959 348 R CB -0.430 29.762 30.300 -0.180 0.000 0.854 348 R HN 0.261 nan 8.270 nan 0.000 0.431 349 L N 0.775 121.744 121.223 -0.423 0.000 1.990 349 L HA -0.254 4.087 4.340 0.001 0.000 0.213 349 L C 2.795 179.471 176.870 -0.323 0.000 1.072 349 L CA 1.591 55.979 54.840 -0.753 0.000 0.755 349 L CB -0.827 40.383 42.059 -1.416 0.000 0.889 349 L HN 0.273 nan 8.230 nan 0.000 0.432 350 A N -0.030 122.685 122.820 -0.175 0.000 1.892 350 A HA -0.288 4.032 4.320 0.001 0.000 0.218 350 A C 2.537 180.131 177.584 0.016 0.000 1.188 350 A CA 2.531 54.594 52.037 0.043 0.000 0.631 350 A CB -0.657 18.382 19.000 0.066 0.000 0.822 350 A HN 0.258 nan 8.150 nan 0.000 0.447 351 K N -1.170 119.221 120.400 -0.014 0.000 2.097 351 K HA -0.088 4.232 4.320 0.001 0.000 0.205 351 K C 2.263 178.872 176.600 0.015 0.000 1.050 351 K CA 1.999 58.287 56.287 0.002 0.000 0.938 351 K CB -1.179 31.312 32.500 -0.015 0.000 0.718 351 K HN 0.668 nan 8.250 nan 0.000 0.442 352 T N 0.012 114.589 114.554 0.038 0.000 2.788 352 T HA -0.086 4.264 4.350 0.001 0.000 0.268 352 T C 1.341 176.113 174.700 0.120 0.000 1.044 352 T CA 1.667 63.829 62.100 0.102 0.000 1.139 352 T CB -0.448 68.544 68.868 0.207 0.000 0.867 352 T HN 0.529 nan 8.240 nan 0.000 0.454 353 Y N 1.887 122.174 120.300 -0.021 0.000 2.089 353 Y HA -0.117 4.433 4.550 0.001 0.000 0.282 353 Y C 2.520 178.277 175.900 -0.238 0.000 1.139 353 Y CA 1.891 59.869 58.100 -0.203 0.000 1.123 353 Y CB -0.554 37.535 38.460 -0.619 0.000 0.980 353 Y HN 0.273 nan 8.280 nan 0.000 0.493 354 E N -0.908 119.186 120.200 -0.178 0.000 2.065 354 E HA -0.260 4.090 4.350 0.001 0.000 0.201 354 E C 1.968 178.467 176.600 -0.168 0.000 1.016 354 E CA 2.383 58.673 56.400 -0.183 0.000 0.818 354 E CB -0.335 29.376 29.700 0.020 0.000 0.749 354 E HN 0.483 nan 8.360 nan 0.000 0.453 355 T N -0.042 114.461 114.554 -0.085 0.000 2.833 355 T HA -0.127 4.223 4.350 0.001 0.000 0.269 355 T C 1.746 176.386 174.700 -0.100 0.000 1.054 355 T CA 1.579 63.646 62.100 -0.055 0.000 1.135 355 T CB -0.335 68.521 68.868 -0.020 0.000 0.869 355 T HN 0.272 nan 8.240 nan 0.000 0.466 356 T N 2.206 116.658 114.554 -0.169 0.000 2.698 356 T HA 0.101 4.452 4.350 0.001 0.000 0.260 356 T C 2.005 176.564 174.700 -0.234 0.000 1.044 356 T CA 0.755 62.750 62.100 -0.175 0.000 1.149 356 T CB -0.464 68.292 68.868 -0.187 0.000 0.864 356 T HN 0.232 nan 8.240 nan 0.000 0.419 357 L N 0.856 121.790 121.223 -0.481 0.000 2.013 357 L HA -0.202 4.138 4.340 0.001 0.000 0.212 357 L C 2.762 179.468 176.870 -0.274 0.000 1.073 357 L CA 1.566 56.087 54.840 -0.533 0.000 0.753 357 L CB -0.614 40.763 42.059 -1.137 0.000 0.890 357 L HN 0.288 nan 8.230 nan 0.000 0.432 358 E N 0.762 120.841 120.200 -0.203 0.000 2.048 358 E HA -0.295 4.055 4.350 0.001 0.000 0.202 358 E C 2.301 178.919 176.600 0.030 0.000 1.021 358 E CA 2.658 59.084 56.400 0.045 0.000 0.825 358 E CB -0.076 29.662 29.700 0.063 0.000 0.756 358 E HN 0.343 nan 8.360 nan 0.000 0.454 359 K N -0.498 119.896 120.400 -0.010 0.000 1.984 359 K HA -0.073 4.248 4.320 0.001 0.000 0.209 359 K C 2.458 179.062 176.600 0.008 0.000 1.046 359 K CA 1.295 57.583 56.287 0.001 0.000 0.934 359 K CB -1.429 31.066 32.500 -0.010 0.000 0.717 359 K HN 0.485 nan 8.250 nan 0.000 0.438 360 c N 0.905 119.506 118.600 0.002 0.000 2.376 360 c HA -0.155 4.416 4.570 0.001 0.000 0.275 360 c C 3.092 177.214 174.090 0.053 0.000 1.200 360 c CA 1.100 57.448 56.329 0.032 0.000 1.756 360 c CB -1.593 40.977 42.510 0.101 0.000 2.050 360 c HN 0.794 nan 8.230 nan 0.000 0.460 361 c N 0.847 119.491 118.600 0.074 0.000 2.409 361 c HA -0.048 4.522 4.570 0.001 0.000 0.288 361 c C 2.852 176.982 174.090 0.067 0.000 1.395 361 c CA 1.105 57.492 56.329 0.097 0.000 1.792 361 c CB -1.788 40.806 42.510 0.139 0.000 1.847 361 c HN 0.745 nan 8.230 nan 0.000 0.534 362 A N 0.240 123.090 122.820 0.049 0.000 2.030 362 A HA 0.497 4.818 4.320 0.001 0.000 0.215 362 A C 1.536 179.130 177.584 0.017 0.000 1.164 362 A CA 0.884 52.941 52.037 0.033 0.000 0.697 362 A CB -0.540 18.477 19.000 0.030 0.000 0.827 362 A HN 0.528 nan 8.150 nan 0.000 0.457 363 A N -0.596 122.230 122.820 0.010 0.000 2.454 363 A HA 0.427 4.747 4.320 0.001 0.000 0.256 363 A C 1.775 179.352 177.584 -0.011 0.000 1.132 363 A CA 0.516 52.549 52.037 -0.006 0.000 0.810 363 A CB -0.410 18.578 19.000 -0.019 0.000 1.083 363 A HN 1.169 nan 8.150 nan 0.000 0.516 364 A N -0.719 122.088 122.820 -0.021 0.000 1.832 364 A HA 0.341 4.661 4.320 0.001 0.000 0.214 364 A C 1.296 178.860 177.584 -0.034 0.000 1.200 364 A CA 1.989 54.012 52.037 -0.023 0.000 0.610 364 A CB -1.068 17.917 19.000 -0.024 0.000 0.842 364 A HN 1.481 nan 8.150 nan 0.000 0.444 365 D N -0.512 119.855 120.400 -0.054 0.000 2.462 365 D HA 0.530 5.170 4.640 0.001 0.000 0.249 365 D C -1.894 174.325 176.300 -0.135 0.000 1.117 365 D CA -1.238 52.714 54.000 -0.081 0.000 0.900 365 D CB 0.620 41.373 40.800 -0.080 0.000 1.039 365 D HN 0.179 nan 8.370 nan 0.000 0.516 366 P HA -0.169 nan 4.420 nan 0.000 0.215 366 P C 1.764 178.636 177.300 -0.713 0.000 1.157 366 P CA 1.418 64.374 63.100 -0.241 0.000 0.868 366 P CB 0.045 31.725 31.700 -0.033 0.000 0.788 367 H N -1.114 117.559 119.070 -0.663 0.000 2.520 367 H HA -0.164 4.392 4.556 0.001 0.000 0.295 367 H C 1.889 176.840 175.328 -0.627 0.000 1.096 367 H CA 2.076 57.627 56.048 -0.829 0.000 1.249 367 H CB -0.623 28.968 29.762 -0.286 0.000 1.365 367 H HN 0.316 nan 8.280 nan 0.000 0.556 368 E N -1.329 118.620 120.200 -0.418 0.000 2.251 368 E HA -0.010 4.340 4.350 0.001 0.000 0.194 368 E C 2.405 178.873 176.600 -0.221 0.000 0.964 368 E CA 0.544 56.796 56.400 -0.246 0.000 0.868 368 E CB -1.387 28.221 29.700 -0.152 0.000 0.828 368 E HN 0.726 nan 8.360 nan 0.000 0.481 369 c N 0.685 119.134 118.600 -0.251 0.000 2.440 369 c HA -0.049 4.521 4.570 0.001 0.000 0.278 369 c C 2.412 176.461 174.090 -0.069 0.000 1.295 369 c CA 1.542 57.790 56.329 -0.136 0.000 1.738 369 c CB -1.097 41.355 42.510 -0.097 0.000 1.987 369 c HN 0.817 nan 8.230 nan 0.000 0.492 370 Y N 0.163 120.436 120.300 -0.046 0.000 2.458 370 Y HA 0.620 5.170 4.550 0.001 0.000 0.256 370 Y C 1.843 177.727 175.900 -0.027 0.000 1.159 370 Y CA -0.130 57.940 58.100 -0.050 0.000 1.261 370 Y CB -1.495 36.921 38.460 -0.073 0.000 1.119 370 Y HN 0.142 nan 8.280 nan 0.000 0.524 371 A N 1.192 124.031 122.820 0.031 0.000 1.948 371 A HA -0.141 4.180 4.320 0.001 0.000 0.220 371 A C 1.687 179.298 177.584 0.045 0.000 1.177 371 A CA 1.660 53.727 52.037 0.050 0.000 0.636 371 A CB -0.597 18.364 19.000 -0.065 0.000 0.815 371 A HN 0.207 nan 8.150 nan 0.000 0.449 372 K N -0.529 119.889 120.400 0.030 0.000 2.969 372 K HA 0.370 4.691 4.320 0.001 0.000 0.222 372 K C 0.950 177.567 176.600 0.027 0.000 1.172 372 K CA 0.434 56.732 56.287 0.019 0.000 1.192 372 K CB -0.055 32.448 32.500 0.006 0.000 1.111 372 K HN 0.391 nan 8.250 nan 0.000 0.457 373 V N -0.226 119.723 119.914 0.058 0.000 2.407 373 V HA -0.075 4.046 4.120 0.001 0.000 0.245 373 V C 1.535 177.524 176.094 -0.175 0.000 1.041 373 V CA 1.736 64.034 62.300 -0.004 0.000 1.040 373 V CB -0.433 31.443 31.823 0.089 0.000 0.671 373 V HN 0.561 nan 8.190 nan 0.000 0.455 374 F N 1.126 120.848 119.950 -0.379 0.000 2.202 374 F HA -0.131 4.396 4.527 0.001 0.000 0.301 374 F C 2.126 177.787 175.800 -0.232 0.000 1.082 374 F CA 1.678 59.407 58.000 -0.452 0.000 1.313 374 F CB -1.160 37.815 39.000 -0.042 0.000 1.024 374 F HN 0.311 nan 8.300 nan 0.000 0.495 375 D N 0.115 120.556 120.400 0.069 0.000 2.182 375 D HA -0.144 4.497 4.640 0.001 0.000 0.201 375 D C 2.345 178.669 176.300 0.040 0.000 0.986 375 D CA 1.583 55.622 54.000 0.064 0.000 0.847 375 D CB -0.237 40.590 40.800 0.044 0.000 0.942 375 D HN 0.452 nan 8.370 nan 0.000 0.467 376 E N -0.320 119.863 120.200 -0.028 0.000 2.418 376 E HA -0.075 4.275 4.350 0.001 0.000 0.197 376 E C 1.551 178.258 176.600 0.178 0.000 1.026 376 E CA 0.407 56.825 56.400 0.030 0.000 0.862 376 E CB -0.792 28.907 29.700 -0.003 0.000 0.799 376 E HN 0.210 nan 8.360 nan 0.000 0.518 377 F N 0.997 120.959 119.950 0.020 0.000 2.149 377 F HA 0.103 4.631 4.527 0.001 0.000 0.294 377 F C 3.137 178.911 175.800 -0.044 0.000 1.095 377 F CA 0.926 58.898 58.000 -0.048 0.000 1.276 377 F CB -0.945 38.002 39.000 -0.088 0.000 1.023 377 F HN 0.367 nan 8.300 nan 0.000 0.480 378 K N 0.695 121.222 120.400 0.211 0.000 2.090 378 K HA -0.262 4.059 4.320 0.001 0.000 0.218 378 K C -0.153 176.478 176.600 0.052 0.000 1.055 378 K CA 2.621 58.977 56.287 0.114 0.000 0.941 378 K CB -2.771 29.789 32.500 0.099 0.000 0.722 378 K HN 0.247 nan 8.250 nan 0.000 0.458 379 P HA -0.108 nan 4.420 nan 0.000 0.213 379 P C 1.576 178.863 177.300 -0.022 0.000 1.170 379 P CA 1.189 64.298 63.100 0.015 0.000 0.898 379 P CB -0.114 31.601 31.700 0.024 0.000 0.787 380 L N -1.303 119.903 121.223 -0.029 0.000 2.129 380 L HA -0.167 4.174 4.340 0.001 0.000 0.212 380 L C 2.261 179.025 176.870 -0.177 0.000 1.087 380 L CA 1.291 56.072 54.840 -0.100 0.000 0.757 380 L CB -1.032 40.952 42.059 -0.125 0.000 0.896 380 L HN -0.097 nan 8.230 nan 0.000 0.434 381 V N 0.250 120.051 119.914 -0.189 0.000 2.488 381 V HA -0.185 3.935 4.120 0.001 0.000 0.246 381 V C 2.404 178.389 176.094 -0.183 0.000 1.046 381 V CA 1.788 63.912 62.300 -0.292 0.000 1.053 381 V CB -0.442 31.203 31.823 -0.297 0.000 0.679 381 V HN 0.624 nan 8.190 nan 0.000 0.458 382 E N 0.110 120.255 120.200 -0.093 0.000 2.299 382 E HA -0.176 4.175 4.350 0.001 0.000 0.193 382 E C 2.030 178.599 176.600 -0.051 0.000 0.998 382 E CA 0.752 57.119 56.400 -0.054 0.000 0.851 382 E CB -0.294 29.395 29.700 -0.018 0.000 0.795 382 E HN 0.553 nan 8.360 nan 0.000 0.492 383 E N 1.903 122.067 120.200 -0.060 0.000 2.058 383 E HA -0.128 4.222 4.350 0.001 0.000 0.194 383 E C -0.546 176.024 176.600 -0.049 0.000 0.997 383 E CA 1.574 57.946 56.400 -0.047 0.000 0.801 383 E CB -0.741 28.929 29.700 -0.050 0.000 0.746 383 E HN 0.299 nan 8.360 nan 0.000 0.450 384 P HA -0.020 nan 4.420 nan 0.000 0.217 384 P C 1.415 178.685 177.300 -0.050 0.000 1.154 384 P CA 1.080 64.140 63.100 -0.067 0.000 0.841 384 P CB -0.069 31.566 31.700 -0.108 0.000 0.790 385 Q N -0.544 119.218 119.800 -0.063 0.000 2.096 385 Q HA -0.180 4.160 4.340 0.001 0.000 0.204 385 Q C 1.811 177.803 176.000 -0.014 0.000 0.982 385 Q CA 1.355 57.138 55.803 -0.034 0.000 0.850 385 Q CB -0.475 28.244 28.738 -0.033 0.000 0.901 385 Q HN 0.293 nan 8.270 nan 0.000 0.422 386 N N 0.647 119.339 118.700 -0.014 0.000 2.216 386 N HA -0.106 4.634 4.740 0.001 0.000 0.183 386 N C 1.812 177.325 175.510 0.005 0.000 1.017 386 N CA 0.538 53.587 53.050 -0.002 0.000 0.861 386 N CB -0.284 38.202 38.487 -0.001 0.000 0.986 386 N HN 0.222 nan 8.380 nan 0.000 0.428 387 L N 1.042 122.266 121.223 0.001 0.000 1.990 387 L HA -0.182 4.159 4.340 0.001 0.000 0.213 387 L C 1.825 178.708 176.870 0.022 0.000 1.072 387 L CA 1.329 56.179 54.840 0.015 0.000 0.755 387 L CB -0.204 41.861 42.059 0.011 0.000 0.889 387 L HN 0.019 nan 8.230 nan 0.000 0.432 388 I N -0.024 120.551 120.570 0.008 0.000 2.226 388 I HA -0.295 3.876 4.170 0.001 0.000 0.245 388 I C 2.853 178.968 176.117 -0.003 0.000 1.100 388 I CA 1.346 62.647 61.300 0.002 0.000 1.374 388 I CB -1.517 36.479 38.000 -0.007 0.000 1.057 388 I HN 0.237 nan 8.210 nan 0.000 0.413 389 K N 0.505 120.907 120.400 0.003 0.000 2.032 389 K HA -0.205 4.116 4.320 0.001 0.000 0.209 389 K C 2.369 178.976 176.600 0.010 0.000 1.048 389 K CA 1.753 58.043 56.287 0.005 0.000 0.927 389 K CB -0.637 31.868 32.500 0.009 0.000 0.712 389 K HN 0.485 nan 8.250 nan 0.000 0.441 390 Q N 0.134 119.948 119.800 0.022 0.000 2.020 390 Q HA -0.095 4.245 4.340 0.001 0.000 0.202 390 Q C 2.356 178.389 176.000 0.055 0.000 0.982 390 Q CA 2.106 57.932 55.803 0.039 0.000 0.838 390 Q CB -0.884 27.882 28.738 0.046 0.000 0.899 390 Q HN 0.698 nan 8.270 nan 0.000 0.423 391 N N -0.174 118.567 118.700 0.069 0.000 2.043 391 N HA -0.116 4.624 4.740 0.001 0.000 0.193 391 N C 1.862 177.327 175.510 -0.076 0.000 1.037 391 N CA 1.735 54.847 53.050 0.103 0.000 0.851 391 N CB -0.920 37.666 38.487 0.165 0.000 1.027 391 N HN 0.426 nan 8.380 nan 0.000 0.422 392 c N 0.980 119.522 118.600 -0.097 0.000 2.413 392 c HA -0.069 4.501 4.570 0.001 0.000 0.276 392 c C 2.551 176.621 174.090 -0.034 0.000 1.236 392 c CA 0.376 56.629 56.329 -0.127 0.000 1.735 392 c CB -0.969 41.486 42.510 -0.092 0.000 2.031 392 c HN 0.533 nan 8.230 nan 0.000 0.474 393 E N 0.128 120.321 120.200 -0.012 0.000 2.058 393 E HA -0.257 4.094 4.350 0.001 0.000 0.194 393 E C 1.951 178.554 176.600 0.005 0.000 0.997 393 E CA 1.335 57.739 56.400 0.006 0.000 0.801 393 E CB -0.298 29.411 29.700 0.014 0.000 0.746 393 E HN 0.494 nan 8.360 nan 0.000 0.450 394 L N 0.715 121.950 121.223 0.019 0.000 1.933 394 L HA -0.223 4.117 4.340 0.001 0.000 0.220 394 L C 2.159 179.019 176.870 -0.017 0.000 1.078 394 L CA 1.988 56.862 54.840 0.058 0.000 0.773 394 L CB -1.078 41.093 42.059 0.188 0.000 0.890 394 L HN 0.195 nan 8.230 nan 0.000 0.434 395 F N 0.391 120.054 119.950 -0.478 0.000 2.204 395 F HA -0.312 4.215 4.527 0.001 0.000 0.301 395 F C 2.195 177.819 175.800 -0.294 0.000 1.058 395 F CA 2.012 59.575 58.000 -0.727 0.000 1.313 395 F CB -0.187 38.006 39.000 -1.346 0.000 1.051 395 F HN 0.311 nan 8.300 nan 0.000 0.505 396 E N 0.261 120.412 120.200 -0.082 0.000 2.072 396 E HA -0.204 4.146 4.350 0.001 0.000 0.191 396 E C 2.484 178.993 176.600 -0.152 0.000 0.985 396 E CA 1.758 58.095 56.400 -0.105 0.000 0.801 396 E CB -0.898 28.800 29.700 -0.004 0.000 0.750 396 E HN 0.722 nan 8.360 nan 0.000 0.452 397 Q N 0.321 120.062 119.800 -0.098 0.000 2.331 397 Q HA 0.144 4.484 4.340 0.001 0.000 0.203 397 Q C 2.253 178.207 176.000 -0.077 0.000 0.944 397 Q CA 0.727 56.491 55.803 -0.066 0.000 0.892 397 Q CB -0.415 28.311 28.738 -0.021 0.000 0.983 397 Q HN 0.303 nan 8.270 nan 0.000 0.482 398 L N -1.529 119.633 121.223 -0.102 0.000 2.408 398 L HA 0.467 4.808 4.340 0.001 0.000 0.215 398 L C 1.377 178.172 176.870 -0.125 0.000 1.081 398 L CA 0.371 55.175 54.840 -0.060 0.000 0.840 398 L CB -0.032 42.056 42.059 0.048 0.000 1.002 398 L HN 0.629 nan 8.230 nan 0.000 0.468 399 G N 0.972 109.558 108.800 -0.355 0.000 2.756 399 G HA2 -0.282 3.678 3.960 0.001 0.000 0.678 399 G HA3 -0.282 3.678 3.960 0.001 0.000 0.678 399 G C 0.294 174.980 174.900 -0.357 0.000 1.349 399 G CA 0.137 44.990 45.100 -0.411 0.000 0.847 399 G HN 0.287 nan 8.290 nan 0.000 0.548 400 E N -0.968 119.129 120.200 -0.172 0.000 2.106 400 E HA -0.144 4.206 4.350 0.001 0.000 0.192 400 E C 1.954 178.718 176.600 0.274 0.000 0.984 400 E CA 1.818 58.345 56.400 0.212 0.000 0.806 400 E CB -0.136 29.740 29.700 0.293 0.000 0.750 400 E HN 0.665 nan 8.360 nan 0.000 0.458 401 Y N 1.427 121.779 120.300 0.087 0.000 2.092 401 Y HA -0.190 4.360 4.550 0.001 0.000 0.282 401 Y C 2.459 178.403 175.900 0.073 0.000 1.126 401 Y CA 2.217 60.359 58.100 0.070 0.000 1.111 401 Y CB -0.596 37.887 38.460 0.038 0.000 0.987 401 Y HN -0.172 nan 8.280 nan 0.000 0.489 402 K N 0.133 120.479 120.400 -0.090 0.000 2.160 402 K HA -0.203 4.118 4.320 0.001 0.000 0.206 402 K C 1.919 178.484 176.600 -0.057 0.000 1.047 402 K CA 1.380 57.565 56.287 -0.169 0.000 0.930 402 K CB -1.437 31.064 32.500 0.002 0.000 0.720 402 K HN 0.575 nan 8.250 nan 0.000 0.450 403 F N 2.006 121.915 119.950 -0.069 0.000 2.146 403 F HA -0.117 4.410 4.527 0.001 0.000 0.298 403 F C 2.219 178.026 175.800 0.012 0.000 1.096 403 F CA 1.452 59.471 58.000 0.033 0.000 1.275 403 F CB -0.345 38.785 39.000 0.218 0.000 1.008 403 F HN 0.164 nan 8.300 nan 0.000 0.480 404 Q N -0.164 119.531 119.800 -0.175 0.000 2.119 404 Q HA -0.177 4.164 4.340 0.001 0.000 0.201 404 Q C 1.851 177.680 176.000 -0.285 0.000 0.972 404 Q CA 1.360 57.006 55.803 -0.262 0.000 0.847 404 Q CB -0.344 28.331 28.738 -0.105 0.000 0.903 404 Q HN 0.391 nan 8.270 nan 0.000 0.433 405 N N 0.773 119.284 118.700 -0.316 0.000 2.223 405 N HA -0.117 4.624 4.740 0.001 0.000 0.185 405 N C 1.586 176.980 175.510 -0.194 0.000 1.016 405 N CA 1.192 54.076 53.050 -0.277 0.000 0.863 405 N CB -0.251 38.014 38.487 -0.370 0.000 0.983 405 N HN 0.235 nan 8.380 nan 0.000 0.429 406 A N 1.628 124.328 122.820 -0.201 0.000 1.835 406 A HA -0.073 4.248 4.320 0.001 0.000 0.215 406 A C 2.325 179.817 177.584 -0.154 0.000 1.199 406 A CA 1.034 52.985 52.037 -0.143 0.000 0.615 406 A CB -0.935 18.001 19.000 -0.107 0.000 0.838 406 A HN 0.217 nan 8.150 nan 0.000 0.444 407 L N -0.549 120.508 121.223 -0.276 0.000 2.127 407 L HA -0.187 4.154 4.340 0.001 0.000 0.211 407 L C 2.589 179.436 176.870 -0.038 0.000 1.089 407 L CA 0.797 55.543 54.840 -0.156 0.000 0.757 407 L CB -0.614 41.239 42.059 -0.342 0.000 0.899 407 L HN 0.399 nan 8.230 nan 0.000 0.434 408 L N -0.506 120.647 121.223 -0.116 0.000 2.017 408 L HA -0.210 4.130 4.340 0.001 0.000 0.208 408 L C 2.516 179.371 176.870 -0.025 0.000 1.073 408 L CA 1.307 56.100 54.840 -0.077 0.000 0.745 408 L CB -0.172 41.822 42.059 -0.108 0.000 0.894 408 L HN 0.099 nan 8.230 nan 0.000 0.432 409 V N -0.553 119.338 119.914 -0.039 0.000 2.427 409 V HA -0.240 3.880 4.120 0.001 0.000 0.248 409 V C 2.522 178.607 176.094 -0.015 0.000 1.051 409 V CA 1.485 63.769 62.300 -0.026 0.000 1.048 409 V CB -0.634 31.170 31.823 -0.032 0.000 0.666 409 V HN 0.418 nan 8.190 nan 0.000 0.456 410 R N -1.050 119.448 120.500 -0.002 0.000 2.070 410 R HA -0.158 4.182 4.340 0.001 0.000 0.233 410 R C 2.358 178.608 176.300 -0.083 0.000 1.137 410 R CA 2.043 58.120 56.100 -0.038 0.000 0.945 410 R CB -0.451 29.832 30.300 -0.028 0.000 0.845 410 R HN 0.490 nan 8.270 nan 0.000 0.430 411 Y N 0.469 120.715 120.300 -0.089 0.000 2.263 411 Y HA -0.141 4.409 4.550 0.001 0.000 0.292 411 Y C 2.625 178.472 175.900 -0.088 0.000 1.130 411 Y CA 1.415 59.464 58.100 -0.085 0.000 1.179 411 Y CB -0.460 37.930 38.460 -0.117 0.000 0.998 411 Y HN 0.057 nan 8.280 nan 0.000 0.532 412 T N 0.051 114.630 114.554 0.042 0.000 2.720 412 T HA -0.195 4.155 4.350 0.001 0.000 0.268 412 T C 1.791 176.430 174.700 -0.102 0.000 1.037 412 T CA 1.633 63.712 62.100 -0.035 0.000 1.144 412 T CB -0.181 68.666 68.868 -0.036 0.000 0.864 412 T HN 0.311 nan 8.240 nan 0.000 0.444 413 K N 1.057 121.404 120.400 -0.088 0.000 2.097 413 K HA -0.060 4.260 4.320 0.001 0.000 0.206 413 K C 2.375 178.898 176.600 -0.128 0.000 1.049 413 K CA 1.089 57.312 56.287 -0.107 0.000 0.933 413 K CB -0.113 32.343 32.500 -0.074 0.000 0.717 413 K HN 0.322 nan 8.250 nan 0.000 0.442 414 K N 0.590 120.909 120.400 -0.135 0.000 2.097 414 K HA -0.081 4.240 4.320 0.001 0.000 0.206 414 K C 0.908 177.446 176.600 -0.103 0.000 1.049 414 K CA 1.195 57.398 56.287 -0.139 0.000 0.933 414 K CB 0.201 32.567 32.500 -0.223 0.000 0.717 414 K HN 0.075 nan 8.250 nan 0.000 0.442 415 V N -2.624 117.234 119.914 -0.093 0.000 2.554 415 V HA 0.239 4.360 4.120 0.001 0.000 0.258 415 V C -2.758 173.248 176.094 -0.147 0.000 0.919 415 V CA -1.551 60.697 62.300 -0.085 0.000 0.910 415 V CB 1.256 33.077 31.823 -0.003 0.000 1.100 415 V HN -0.102 nan 8.190 nan 0.000 0.491 416 P HA -0.072 nan 4.420 nan 0.000 0.222 416 P C 1.364 178.479 177.300 -0.308 0.000 1.147 416 P CA 1.238 64.028 63.100 -0.518 0.000 0.790 416 P CB 0.296 31.155 31.700 -1.401 0.000 0.780 417 Q N -0.538 119.173 119.800 -0.149 0.000 2.124 417 Q HA -0.039 4.301 4.340 0.001 0.000 0.202 417 Q C 0.790 176.816 176.000 0.043 0.000 0.977 417 Q CA 0.512 56.328 55.803 0.022 0.000 0.850 417 Q CB -1.583 27.202 28.738 0.077 0.000 0.901 417 Q HN 0.084 nan 8.270 nan 0.000 0.429 418 V N 2.292 122.228 119.914 0.037 0.000 2.872 418 V HA -0.118 4.002 4.120 0.001 0.000 0.302 418 V C 0.643 176.761 176.094 0.041 0.000 1.166 418 V CA 0.406 62.745 62.300 0.065 0.000 1.298 418 V CB 0.233 32.080 31.823 0.040 0.000 0.894 418 V HN 0.456 nan 8.190 nan 0.000 0.509 419 S N 3.219 118.947 115.700 0.046 0.000 2.516 419 S HA 0.029 4.500 4.470 0.001 0.000 0.282 419 S C 1.261 175.868 174.600 0.012 0.000 1.286 419 S CA 0.160 58.377 58.200 0.028 0.000 1.066 419 S CB 0.993 64.205 63.200 0.021 0.000 0.884 419 S HN 0.826 nan 8.310 nan 0.000 0.491 420 T N 5.678 120.239 114.554 0.012 0.000 2.624 420 T HA -0.123 4.228 4.350 0.001 0.000 0.266 420 T C -0.874 173.817 174.700 -0.015 0.000 1.050 420 T CA 2.347 64.446 62.100 -0.001 0.000 1.163 420 T CB -1.674 67.197 68.868 0.005 0.000 0.861 420 T HN 0.625 nan 8.240 nan 0.000 0.443 421 P HA -0.167 nan 4.420 nan 0.000 0.213 421 P C 2.068 179.350 177.300 -0.030 0.000 1.170 421 P CA 2.262 65.349 63.100 -0.022 0.000 0.902 421 P CB -0.440 31.250 31.700 -0.017 0.000 0.789 422 T N -2.376 112.163 114.554 -0.026 0.000 2.720 422 T HA -0.180 4.170 4.350 0.001 0.000 0.268 422 T C 1.895 176.558 174.700 -0.062 0.000 1.037 422 T CA 1.279 63.355 62.100 -0.039 0.000 1.144 422 T CB -1.419 67.437 68.868 -0.021 0.000 0.864 422 T HN -0.054 nan 8.240 nan 0.000 0.444 423 L N 0.607 121.800 121.223 -0.050 0.000 2.013 423 L HA -0.112 4.228 4.340 0.001 0.000 0.212 423 L C 3.041 179.858 176.870 -0.089 0.000 1.073 423 L CA 1.428 56.228 54.840 -0.068 0.000 0.753 423 L CB -0.612 41.423 42.059 -0.039 0.000 0.890 423 L HN 0.202 nan 8.230 nan 0.000 0.432 424 V N -0.414 119.461 119.914 -0.066 0.000 2.295 424 V HA -0.285 3.835 4.120 0.001 0.000 0.246 424 V C 2.460 178.513 176.094 -0.068 0.000 1.049 424 V CA 2.004 64.266 62.300 -0.063 0.000 1.024 424 V CB -0.478 31.319 31.823 -0.044 0.000 0.648 424 V HN 0.509 nan 8.190 nan 0.000 0.447 425 E N 0.714 120.876 120.200 -0.064 0.000 2.017 425 E HA -0.181 4.169 4.350 0.001 0.000 0.193 425 E C 2.059 178.602 176.600 -0.096 0.000 0.997 425 E CA 2.133 58.496 56.400 -0.061 0.000 0.804 425 E CB -0.658 29.011 29.700 -0.052 0.000 0.757 425 E HN 0.251 nan 8.360 nan 0.000 0.448 426 V N 0.742 120.575 119.914 -0.135 0.000 2.250 426 V HA -0.339 3.782 4.120 0.001 0.000 0.250 426 V C 2.526 178.464 176.094 -0.260 0.000 1.060 426 V CA 2.184 64.357 62.300 -0.211 0.000 1.030 426 V CB -0.989 30.678 31.823 -0.260 0.000 0.643 426 V HN 0.294 nan 8.190 nan 0.000 0.445 427 S N -0.583 114.964 115.700 -0.254 0.000 2.359 427 S HA -0.249 4.222 4.470 0.001 0.000 0.223 427 S C 2.035 176.519 174.600 -0.193 0.000 1.039 427 S CA 1.877 59.911 58.200 -0.277 0.000 1.042 427 S CB -0.382 62.695 63.200 -0.206 0.000 0.915 427 S HN 0.553 nan 8.310 nan 0.000 0.439 428 R N 1.411 121.842 120.500 -0.114 0.000 2.097 428 R HA -0.101 4.239 4.340 0.001 0.000 0.236 428 R C 2.131 178.420 176.300 -0.017 0.000 1.135 428 R CA 1.585 57.658 56.100 -0.044 0.000 0.934 428 R CB -0.762 29.533 30.300 -0.008 0.000 0.846 428 R HN 0.397 nan 8.270 nan 0.000 0.431 429 N N 1.124 119.805 118.700 -0.033 0.000 2.036 429 N HA -0.174 4.566 4.740 0.001 0.000 0.195 429 N C 2.008 177.537 175.510 0.032 0.000 1.037 429 N CA 1.295 54.356 53.050 0.020 0.000 0.855 429 N CB -0.397 38.066 38.487 -0.039 0.000 1.033 429 N HN 0.204 nan 8.380 nan 0.000 0.423 430 L N 0.408 121.553 121.223 -0.130 0.000 2.187 430 L HA -0.129 4.212 4.340 0.001 0.000 0.213 430 L C 2.276 179.153 176.870 0.012 0.000 1.100 430 L CA 1.215 55.968 54.840 -0.144 0.000 0.765 430 L CB -0.664 41.188 42.059 -0.345 0.000 0.904 430 L HN 0.249 nan 8.230 nan 0.000 0.437 431 G N -0.589 108.210 108.800 -0.001 0.000 2.511 431 G HA2 -0.153 3.807 3.960 0.001 0.000 0.217 431 G HA3 -0.153 3.807 3.960 0.001 0.000 0.217 431 G C 1.601 176.665 174.900 0.273 0.000 1.133 431 G CA 0.043 45.215 45.100 0.120 0.000 0.792 431 G HN 0.321 nan 8.290 nan 0.000 0.539 432 K N 0.160 120.673 120.400 0.188 0.000 2.288 432 K HA 0.077 4.397 4.320 0.001 0.000 0.201 432 K C 2.258 178.840 176.600 -0.030 0.000 1.048 432 K CA 0.299 56.654 56.287 0.114 0.000 0.956 432 K CB -0.082 32.474 32.500 0.092 0.000 0.746 432 K HN 0.169 nan 8.250 nan 0.000 0.461 433 V N 1.418 121.380 119.914 0.080 0.000 2.660 433 V HA -0.212 3.908 4.120 0.001 0.000 0.257 433 V C 1.920 177.823 176.094 -0.317 0.000 1.088 433 V CA 2.199 64.470 62.300 -0.047 0.000 1.106 433 V CB -0.603 31.353 31.823 0.222 0.000 0.686 433 V HN 0.478 nan 8.190 nan 0.000 0.481 434 G N -0.264 108.209 108.800 -0.545 0.000 2.434 434 G HA2 -0.255 3.705 3.960 0.001 0.000 0.214 434 G HA3 -0.255 3.705 3.960 0.001 0.000 0.214 434 G C 1.801 175.927 174.900 -1.291 0.000 1.202 434 G CA 1.146 45.291 45.100 -1.591 0.000 0.788 434 G HN 0.711 nan 8.290 nan 0.000 0.539 435 S N -0.026 115.294 115.700 -0.633 0.000 2.428 435 S HA -0.057 4.413 4.470 0.001 0.000 0.230 435 S C 2.017 176.506 174.600 -0.185 0.000 1.014 435 S CA 1.706 59.860 58.200 -0.078 0.000 0.957 435 S CB -0.036 63.273 63.200 0.182 0.000 0.784 435 S HN 0.318 nan 8.310 nan 0.000 0.499 436 K N 0.164 120.398 120.400 -0.277 0.000 2.296 436 K HA 0.173 4.494 4.320 0.001 0.000 0.200 436 K C 1.538 177.899 176.600 -0.399 0.000 1.048 436 K CA 1.018 57.124 56.287 -0.300 0.000 0.966 436 K CB -0.879 31.384 32.500 -0.395 0.000 0.754 436 K HN 0.765 nan 8.250 nan 0.000 0.466 437 c N -2.211 116.121 118.600 -0.447 0.000 3.060 437 c HA 0.299 4.870 4.570 0.001 0.000 0.548 437 c C 2.482 176.279 174.090 -0.488 0.000 1.317 437 c CA -0.055 55.946 56.329 -0.546 0.000 2.592 437 c CB -0.472 41.855 42.510 -0.305 0.000 3.519 437 c HN 0.671 nan 8.230 nan 0.000 0.524 438 c N 2.277 120.662 118.600 -0.359 0.000 2.397 438 c HA -0.125 4.445 4.570 0.001 0.000 0.286 438 c C 3.003 177.019 174.090 -0.124 0.000 1.308 438 c CA 2.122 58.315 56.329 -0.226 0.000 1.805 438 c CB -1.670 40.689 42.510 -0.252 0.000 1.952 438 c HN 0.781 nan 8.230 nan 0.000 0.518 439 K N 0.113 120.423 120.400 -0.151 0.000 2.062 439 K HA -0.073 4.247 4.320 0.001 0.000 0.205 439 K C 0.718 177.367 176.600 0.082 0.000 1.051 439 K CA 0.860 57.136 56.287 -0.019 0.000 0.941 439 K CB -1.060 31.444 32.500 0.006 0.000 0.719 439 K HN 0.820 nan 8.250 nan 0.000 0.440 440 H N 0.748 119.806 119.070 -0.019 0.000 2.935 440 H HA 0.082 4.639 4.556 0.001 0.000 0.376 440 H C -2.076 173.248 175.328 -0.008 0.000 1.307 440 H CA -1.726 54.314 56.048 -0.013 0.000 1.442 440 H CB 0.278 30.029 29.762 -0.019 0.000 1.427 440 H HN 0.280 nan 8.280 nan 0.000 0.615 441 P HA 0.049 nan 4.420 nan 0.000 0.281 441 P C 0.046 177.386 177.300 0.066 0.000 1.249 441 P CA -0.305 62.835 63.100 0.067 0.000 0.810 441 P CB 0.803 32.523 31.700 0.035 0.000 1.008 442 E N 1.422 121.651 120.200 0.048 0.000 2.301 442 E HA -0.266 4.084 4.350 0.001 0.000 0.202 442 E C 1.865 178.498 176.600 0.055 0.000 1.017 442 E CA 1.960 58.388 56.400 0.047 0.000 0.831 442 E CB -0.600 29.123 29.700 0.039 0.000 0.742 442 E HN 0.508 nan 8.360 nan 0.000 0.491 443 A N 0.428 123.277 122.820 0.047 0.000 1.972 443 A HA -0.184 4.136 4.320 0.001 0.000 0.219 443 A C 1.669 179.281 177.584 0.047 0.000 1.169 443 A CA 1.430 53.492 52.037 0.042 0.000 0.635 443 A CB 0.006 19.016 19.000 0.017 0.000 0.810 443 A HN 0.093 nan 8.150 nan 0.000 0.446 444 K N -1.510 118.924 120.400 0.057 0.000 2.374 444 K HA 0.206 4.526 4.320 0.001 0.000 0.202 444 K C 1.731 178.411 176.600 0.133 0.000 1.040 444 K CA -0.306 56.024 56.287 0.070 0.000 1.085 444 K CB 0.410 32.914 32.500 0.006 0.000 0.873 444 K HN 0.295 nan 8.250 nan 0.000 0.539 445 R N 1.071 121.636 120.500 0.110 0.000 2.082 445 R HA -0.059 4.281 4.340 0.001 0.000 0.234 445 R C 2.288 178.618 176.300 0.049 0.000 1.136 445 R CA 1.592 57.735 56.100 0.071 0.000 0.935 445 R CB -0.215 30.106 30.300 0.035 0.000 0.842 445 R HN 0.184 nan 8.270 nan 0.000 0.430 446 M N 1.049 120.679 119.600 0.050 0.000 2.082 446 M HA -0.122 4.359 4.480 0.001 0.000 0.258 446 M C -0.824 175.503 176.300 0.044 0.000 1.071 446 M CA 1.986 57.307 55.300 0.035 0.000 1.103 446 M CB -1.068 31.551 32.600 0.031 0.000 1.307 446 M HN -0.029 nan 8.290 nan 0.000 0.409 447 P HA -0.155 nan 4.420 nan 0.000 0.215 447 P C 1.811 179.152 177.300 0.069 0.000 1.153 447 P CA 1.602 64.738 63.100 0.061 0.000 0.853 447 P CB -0.584 31.150 31.700 0.057 0.000 0.788 448 c N -0.373 118.274 118.600 0.078 0.000 2.425 448 c HA 0.077 4.647 4.570 0.001 0.000 0.277 448 c C 2.945 177.075 174.090 0.067 0.000 1.280 448 c CA 1.430 57.806 56.329 0.077 0.000 1.744 448 c CB -1.704 40.861 42.510 0.091 0.000 1.989 448 c HN 0.243 nan 8.230 nan 0.000 0.491 449 A N -0.169 122.681 122.820 0.051 0.000 1.843 449 A HA -0.048 4.273 4.320 0.001 0.000 0.213 449 A C 2.144 179.779 177.584 0.085 0.000 1.239 449 A CA 1.346 53.422 52.037 0.065 0.000 0.606 449 A CB -1.103 17.907 19.000 0.017 0.000 0.903 449 A HN 0.674 nan 8.150 nan 0.000 0.455 450 E N -0.116 120.109 120.200 0.042 0.000 2.097 450 E HA -0.249 4.101 4.350 0.001 0.000 0.196 450 E C 1.256 177.869 176.600 0.022 0.000 1.000 450 E CA 1.591 58.002 56.400 0.018 0.000 0.804 450 E CB -0.115 29.581 29.700 -0.008 0.000 0.740 450 E HN 0.538 nan 8.360 nan 0.000 0.454 451 D N -0.613 119.819 120.400 0.055 0.000 2.178 451 D HA -0.159 4.482 4.640 0.001 0.000 0.202 451 D C 1.644 177.984 176.300 0.066 0.000 0.974 451 D CA 0.691 54.730 54.000 0.064 0.000 0.841 451 D CB -0.234 40.631 40.800 0.108 0.000 0.953 451 D HN 0.306 nan 8.370 nan 0.000 0.478 452 Y N 1.771 122.058 120.300 -0.021 0.000 2.242 452 Y HA -0.106 4.444 4.550 0.001 0.000 0.291 452 Y C 2.117 177.982 175.900 -0.059 0.000 1.137 452 Y CA 1.021 59.099 58.100 -0.038 0.000 1.181 452 Y CB -0.486 37.950 38.460 -0.041 0.000 0.989 452 Y HN -0.113 nan 8.280 nan 0.000 0.527 453 L N -0.984 120.105 121.223 -0.222 0.000 2.141 453 L HA -0.190 4.150 4.340 0.001 0.000 0.209 453 L C 2.433 179.142 176.870 -0.268 0.000 1.094 453 L CA 1.342 55.996 54.840 -0.309 0.000 0.763 453 L CB -0.652 41.330 42.059 -0.129 0.000 0.908 453 L HN 0.095 nan 8.230 nan 0.000 0.437 454 S N -0.524 115.072 115.700 -0.174 0.000 2.402 454 S HA -0.123 4.347 4.470 0.001 0.000 0.229 454 S C 2.043 176.524 174.600 -0.199 0.000 1.021 454 S CA 0.978 59.087 58.200 -0.151 0.000 0.974 454 S CB -0.120 63.016 63.200 -0.107 0.000 0.800 454 S HN 0.158 nan 8.310 nan 0.000 0.484 455 V N 1.429 121.202 119.914 -0.235 0.000 2.270 455 V HA -0.129 3.991 4.120 0.001 0.000 0.245 455 V C 2.343 178.263 176.094 -0.290 0.000 1.043 455 V CA 1.433 63.591 62.300 -0.236 0.000 1.014 455 V CB -0.765 30.950 31.823 -0.180 0.000 0.645 455 V HN 0.335 nan 8.190 nan 0.000 0.447 456 V N -0.201 119.441 119.914 -0.452 0.000 2.332 456 V HA -0.293 3.827 4.120 0.001 0.000 0.248 456 V C 2.345 178.237 176.094 -0.336 0.000 1.055 456 V CA 2.058 64.101 62.300 -0.428 0.000 1.038 456 V CB -0.596 30.878 31.823 -0.583 0.000 0.651 456 V HN 0.438 nan 8.190 nan 0.000 0.450 457 L N 0.272 121.294 121.223 -0.335 0.000 2.083 457 L HA -0.205 4.135 4.340 0.001 0.000 0.209 457 L C 2.442 179.182 176.870 -0.216 0.000 1.083 457 L CA 2.036 56.683 54.840 -0.322 0.000 0.752 457 L CB -0.656 41.238 42.059 -0.274 0.000 0.899 457 L HN 0.486 nan 8.230 nan 0.000 0.433 458 N N -0.321 118.277 118.700 -0.170 0.000 2.223 458 N HA -0.218 4.522 4.740 0.001 0.000 0.185 458 N C 1.856 177.300 175.510 -0.111 0.000 1.016 458 N CA 1.221 54.204 53.050 -0.112 0.000 0.863 458 N CB 0.086 38.497 38.487 -0.126 0.000 0.983 458 N HN 0.308 nan 8.380 nan 0.000 0.429 459 Q N -0.496 119.218 119.800 -0.144 0.000 2.020 459 Q HA -0.153 4.187 4.340 0.001 0.000 0.202 459 Q C 1.921 177.860 176.000 -0.101 0.000 0.982 459 Q CA 1.374 57.105 55.803 -0.120 0.000 0.838 459 Q CB -0.343 28.314 28.738 -0.135 0.000 0.899 459 Q HN 0.398 nan 8.270 nan 0.000 0.423 460 L N 0.792 121.928 121.223 -0.144 0.000 2.013 460 L HA -0.223 4.118 4.340 0.001 0.000 0.212 460 L C 2.255 179.109 176.870 -0.026 0.000 1.073 460 L CA 1.829 56.595 54.840 -0.124 0.000 0.753 460 L CB -1.055 40.853 42.059 -0.252 0.000 0.890 460 L HN 0.293 nan 8.230 nan 0.000 0.432 461 c N -1.113 117.477 118.600 -0.017 0.000 2.413 461 c HA -0.188 4.382 4.570 0.001 0.000 0.277 461 c C 2.867 177.003 174.090 0.078 0.000 1.228 461 c CA 1.411 57.784 56.329 0.074 0.000 1.731 461 c CB -1.239 41.322 42.510 0.085 0.000 2.042 461 c HN 0.652 nan 8.230 nan 0.000 0.468 462 V N 0.017 119.938 119.914 0.011 0.000 2.295 462 V HA -0.207 3.913 4.120 0.001 0.000 0.246 462 V C 2.177 178.277 176.094 0.009 0.000 1.049 462 V CA 2.036 64.331 62.300 -0.009 0.000 1.024 462 V CB -1.197 30.590 31.823 -0.060 0.000 0.648 462 V HN 0.595 nan 8.190 nan 0.000 0.447 463 L N -0.283 120.945 121.223 0.009 0.000 2.012 463 L HA -0.215 4.125 4.340 0.001 0.000 0.210 463 L C 2.931 179.827 176.870 0.043 0.000 1.073 463 L CA 2.473 57.320 54.840 0.012 0.000 0.748 463 L CB -1.068 40.991 42.059 -0.000 0.000 0.891 463 L HN 0.531 nan 8.230 nan 0.000 0.431 464 H N 0.358 119.418 119.070 -0.017 0.000 2.290 464 H HA -0.254 4.303 4.556 0.001 0.000 0.298 464 H C 2.108 177.435 175.328 -0.002 0.000 1.087 464 H CA 2.033 58.081 56.048 -0.000 0.000 1.291 464 H CB 0.127 29.904 29.762 0.024 0.000 1.369 464 H HN 0.365 nan 8.280 nan 0.000 0.492 465 E N 0.448 120.669 120.200 0.034 0.000 2.284 465 E HA -0.237 4.114 4.350 0.001 0.000 0.200 465 E C 2.342 178.890 176.600 -0.086 0.000 1.008 465 E CA 1.522 57.900 56.400 -0.037 0.000 0.829 465 E CB 0.066 29.766 29.700 0.000 0.000 0.744 465 E HN 0.562 nan 8.360 nan 0.000 0.491 466 K N 0.185 120.537 120.400 -0.079 0.000 1.984 466 K HA -0.068 4.252 4.320 0.001 0.000 0.209 466 K C 1.523 178.062 176.600 -0.101 0.000 1.046 466 K CA 1.661 57.905 56.287 -0.072 0.000 0.934 466 K CB -0.978 31.494 32.500 -0.046 0.000 0.717 466 K HN 0.278 nan 8.250 nan 0.000 0.438 467 T N 0.412 114.885 114.554 -0.136 0.000 3.250 467 T HA 0.498 4.848 4.350 0.001 0.000 0.391 467 T C -2.992 171.548 174.700 -0.265 0.000 1.502 467 T CA -1.952 60.062 62.100 -0.143 0.000 1.320 467 T CB 1.064 69.880 68.868 -0.085 0.000 1.102 467 T HN 0.085 nan 8.240 nan 0.000 0.610 468 P HA 0.163 nan 4.420 nan 0.000 0.265 468 P C 0.454 177.608 177.300 -0.244 0.000 1.187 468 P CA -0.149 62.669 63.100 -0.471 0.000 0.766 468 P CB 1.036 32.610 31.700 -0.210 0.000 0.820 469 V N 1.085 120.929 119.914 -0.117 0.000 3.195 469 V HA 0.103 4.223 4.120 0.001 0.000 0.256 469 V C -0.114 176.076 176.094 0.160 0.000 1.735 469 V CA 0.680 63.013 62.300 0.055 0.000 1.017 469 V CB 0.437 32.292 31.823 0.054 0.000 0.897 469 V HN 0.534 nan 8.190 nan 0.000 0.387 470 S N 0.271 116.169 115.700 0.329 0.000 2.640 470 S HA 0.345 4.815 4.470 0.001 0.000 0.320 470 S C 0.428 175.118 174.600 0.151 0.000 1.097 470 S CA -0.028 58.283 58.200 0.185 0.000 1.092 470 S CB 1.347 64.606 63.200 0.098 0.000 0.988 470 S HN 0.466 nan 8.310 nan 0.000 0.470 471 D N 3.528 123.979 120.400 0.086 0.000 2.149 471 D HA -0.101 4.539 4.640 0.001 0.000 0.198 471 D C 1.996 178.292 176.300 -0.007 0.000 0.990 471 D CA 1.186 55.216 54.000 0.050 0.000 0.839 471 D CB 0.109 40.923 40.800 0.025 0.000 0.948 471 D HN 0.541 nan 8.370 nan 0.000 0.460 472 R N 0.439 120.918 120.500 -0.036 0.000 2.091 472 R HA -0.106 4.235 4.340 0.001 0.000 0.238 472 R C 2.245 178.446 176.300 -0.165 0.000 1.136 472 R CA 0.816 56.855 56.100 -0.101 0.000 0.959 472 R CB -0.573 29.670 30.300 -0.095 0.000 0.856 472 R HN 0.142 nan 8.270 nan 0.000 0.437 473 V N 0.664 120.491 119.914 -0.144 0.000 2.295 473 V HA -0.253 3.867 4.120 0.001 0.000 0.246 473 V C 2.205 178.224 176.094 -0.125 0.000 1.049 473 V CA 2.272 64.456 62.300 -0.194 0.000 1.024 473 V CB -0.635 30.823 31.823 -0.609 0.000 0.648 473 V HN 0.411 nan 8.190 nan 0.000 0.447 474 T N -0.218 114.328 114.554 -0.014 0.000 2.665 474 T HA -0.293 4.057 4.350 0.001 0.000 0.268 474 T C 1.900 176.600 174.700 0.001 0.000 1.035 474 T CA 2.092 64.235 62.100 0.071 0.000 1.151 474 T CB -0.245 68.690 68.868 0.112 0.000 0.862 474 T HN 0.505 nan 8.240 nan 0.000 0.438 475 K N 0.349 120.719 120.400 -0.051 0.000 1.969 475 K HA -0.157 4.163 4.320 0.001 0.000 0.216 475 K C 2.539 179.069 176.600 -0.117 0.000 1.048 475 K CA 1.860 58.102 56.287 -0.075 0.000 0.948 475 K CB -0.715 31.726 32.500 -0.099 0.000 0.726 475 K HN 0.303 nan 8.250 nan 0.000 0.442 476 c N 0.837 119.280 118.600 -0.261 0.000 2.392 476 c HA -0.216 4.355 4.570 0.001 0.000 0.276 476 c C 3.028 177.040 174.090 -0.129 0.000 1.212 476 c CA 0.961 57.061 56.329 -0.382 0.000 1.791 476 c CB -1.111 40.729 42.510 -1.117 0.000 2.063 476 c HN 0.684 nan 8.230 nan 0.000 0.481 477 c N -0.090 118.506 118.600 -0.005 0.000 2.476 477 c HA -0.056 4.515 4.570 0.001 0.000 0.278 477 c C 2.853 177.052 174.090 0.181 0.000 1.274 477 c CA 1.811 58.224 56.329 0.140 0.000 1.713 477 c CB -1.518 41.089 42.510 0.162 0.000 2.039 477 c HN 0.810 nan 8.230 nan 0.000 0.484 478 T N -1.738 112.891 114.554 0.124 0.000 3.100 478 T HA 0.008 4.358 4.350 0.001 0.000 0.253 478 T C 1.338 176.139 174.700 0.168 0.000 1.118 478 T CA 0.854 63.040 62.100 0.143 0.000 1.058 478 T CB -0.157 68.740 68.868 0.049 0.000 0.953 478 T HN 0.621 nan 8.240 nan 0.000 0.515 479 E N 1.986 122.247 120.200 0.102 0.000 2.005 479 E HA 0.002 4.353 4.350 0.001 0.000 0.191 479 E C 0.472 177.130 176.600 0.096 0.000 0.987 479 E CA 1.071 57.512 56.400 0.068 0.000 0.814 479 E CB 0.245 29.944 29.700 -0.001 0.000 0.772 479 E HN 0.637 nan 8.360 nan 0.000 0.453 480 S N -0.403 115.316 115.700 0.031 0.000 2.538 480 S HA 0.228 4.699 4.470 0.001 0.000 0.288 480 S C 0.299 174.772 174.600 -0.213 0.000 1.108 480 S CA -0.836 57.332 58.200 -0.054 0.000 0.971 480 S CB 1.963 65.127 63.200 -0.061 0.000 1.041 480 S HN 0.219 nan 8.310 nan 0.000 0.483 481 L N 3.662 124.545 121.223 -0.566 0.000 2.093 481 L HA 0.131 4.471 4.340 0.001 0.000 0.208 481 L C 1.947 178.588 176.870 -0.381 0.000 1.085 481 L CA 1.687 56.026 54.840 -0.834 0.000 0.755 481 L CB -0.627 40.523 42.059 -1.515 0.000 0.904 481 L HN 0.734 nan 8.230 nan 0.000 0.435 482 V N -0.225 119.526 119.914 -0.272 0.000 2.871 482 V HA -0.075 4.045 4.120 0.001 0.000 0.256 482 V C 1.820 177.847 176.094 -0.111 0.000 1.082 482 V CA 1.160 63.364 62.300 -0.160 0.000 1.105 482 V CB -0.805 30.942 31.823 -0.126 0.000 0.713 482 V HN 0.470 nan 8.190 nan 0.000 0.473 483 N N -0.071 118.567 118.700 -0.103 0.000 2.325 483 N HA 0.080 4.820 4.740 0.001 0.000 0.182 483 N C 1.765 177.253 175.510 -0.036 0.000 1.088 483 N CA 0.096 53.105 53.050 -0.068 0.000 0.879 483 N CB 0.011 38.457 38.487 -0.068 0.000 0.983 483 N HN 0.442 nan 8.380 nan 0.000 0.471 484 R N 1.008 121.497 120.500 -0.018 0.000 2.168 484 R HA -0.193 4.147 4.340 0.001 0.000 0.242 484 R C 2.050 178.460 176.300 0.185 0.000 1.123 484 R CA 1.538 57.694 56.100 0.094 0.000 0.928 484 R CB -0.299 30.078 30.300 0.128 0.000 0.873 484 R HN 0.113 nan 8.270 nan 0.000 0.434 485 R N 0.349 120.913 120.500 0.108 0.000 2.113 485 R HA -0.135 4.205 4.340 0.001 0.000 0.244 485 R C -0.812 175.549 176.300 0.102 0.000 1.142 485 R CA 1.986 58.150 56.100 0.106 0.000 0.953 485 R CB -1.368 28.947 30.300 0.024 0.000 0.860 485 R HN 0.220 nan 8.270 nan 0.000 0.438 486 P HA -0.073 nan 4.420 nan 0.000 0.215 486 P C 1.694 178.989 177.300 -0.008 0.000 1.157 486 P CA 0.953 64.056 63.100 0.005 0.000 0.859 486 P CB -0.347 31.335 31.700 -0.029 0.000 0.786 487 c N -1.413 117.161 118.600 -0.043 0.000 2.375 487 c HA -0.217 4.353 4.570 0.001 0.000 0.274 487 c C 2.416 176.376 174.090 -0.215 0.000 1.190 487 c CA 1.143 57.380 56.329 -0.153 0.000 1.775 487 c CB -2.144 40.224 42.510 -0.238 0.000 2.067 487 c HN 0.079 nan 8.230 nan 0.000 0.463 488 F N 0.718 120.636 119.950 -0.054 0.000 2.367 488 F HA 0.001 4.529 4.527 0.001 0.000 0.298 488 F C 2.727 178.451 175.800 -0.127 0.000 1.094 488 F CA 1.587 59.542 58.000 -0.075 0.000 1.409 488 F CB -0.503 38.507 39.000 0.015 0.000 1.064 488 F HN 0.105 nan 8.300 nan 0.000 0.528 489 S N -0.366 115.382 115.700 0.081 0.000 2.453 489 S HA -0.053 4.418 4.470 0.001 0.000 0.231 489 S C 2.265 176.838 174.600 -0.045 0.000 1.005 489 S CA 0.767 58.970 58.200 0.005 0.000 0.949 489 S CB -0.352 62.861 63.200 0.022 0.000 0.774 489 S HN 0.345 nan 8.310 nan 0.000 0.510 490 A N 1.372 124.157 122.820 -0.058 0.000 1.897 490 A HA 0.194 4.515 4.320 0.001 0.000 0.215 490 A C 0.885 178.415 177.584 -0.090 0.000 1.181 490 A CA 0.434 52.427 52.037 -0.073 0.000 0.620 490 A CB -0.564 18.386 19.000 -0.084 0.000 0.821 490 A HN 0.420 nan 8.150 nan 0.000 0.443 491 L N -0.265 120.889 121.223 -0.116 0.000 2.554 491 L HA -0.007 4.333 4.340 0.001 0.000 0.293 491 L C 1.354 178.151 176.870 -0.122 0.000 1.252 491 L CA 0.309 55.075 54.840 -0.123 0.000 0.862 491 L CB 0.235 42.210 42.059 -0.139 0.000 1.113 491 L HN 0.561 nan 8.230 nan 0.000 0.510 492 E N 1.868 122.006 120.200 -0.103 0.000 3.312 492 E HA 0.261 4.612 4.350 0.001 0.000 0.178 492 E C -0.947 175.599 176.600 -0.089 0.000 1.204 492 E CA 0.220 56.564 56.400 -0.093 0.000 1.335 492 E CB 0.797 30.458 29.700 -0.065 0.000 1.680 492 E HN 0.246 nan 8.360 nan 0.000 0.503 493 V N 2.427 122.301 119.914 -0.066 0.000 2.655 493 V HA 0.252 4.373 4.120 0.001 0.000 0.301 493 V C -1.270 174.802 176.094 -0.037 0.000 1.082 493 V CA -1.093 61.175 62.300 -0.053 0.000 0.899 493 V CB 1.628 33.432 31.823 -0.031 0.000 1.014 493 V HN 0.312 nan 8.190 nan 0.000 0.429 494 D N 3.326 123.703 120.400 -0.038 0.000 2.382 494 D HA 0.095 4.735 4.640 0.001 0.000 0.259 494 D C 0.841 177.165 176.300 0.038 0.000 1.224 494 D CA 0.271 54.266 54.000 -0.008 0.000 0.894 494 D CB 1.323 42.113 40.800 -0.016 0.000 1.127 494 D HN 0.703 nan 8.370 nan 0.000 0.487 495 E N 1.185 121.401 120.200 0.026 0.000 2.479 495 E HA -0.014 4.336 4.350 0.001 0.000 0.193 495 E C 1.229 177.853 176.600 0.041 0.000 1.049 495 E CA 0.214 56.633 56.400 0.031 0.000 0.870 495 E CB 0.382 30.087 29.700 0.008 0.000 0.944 495 E HN 0.503 nan 8.360 nan 0.000 0.492 496 T N -2.207 112.382 114.554 0.059 0.000 3.054 496 T HA 0.029 4.380 4.350 0.001 0.000 0.255 496 T C 0.067 174.821 174.700 0.089 0.000 1.035 496 T CA -0.543 61.588 62.100 0.052 0.000 0.941 496 T CB -0.261 68.629 68.868 0.037 0.000 1.026 496 T HN 0.082 nan 8.240 nan 0.000 0.533 497 Y N 3.544 123.835 120.300 -0.016 0.000 2.359 497 Y HA 0.478 5.029 4.550 0.001 0.000 0.334 497 Y C -0.127 175.762 175.900 -0.019 0.000 1.058 497 Y CA -1.801 56.291 58.100 -0.013 0.000 1.244 497 Y CB 0.868 39.321 38.460 -0.012 0.000 1.187 497 Y HN 0.185 nan 8.280 nan 0.000 0.510 498 V N 6.033 125.607 119.914 -0.567 0.000 2.348 498 V HA 0.473 4.593 4.120 0.001 0.000 0.270 498 V C -2.565 173.051 176.094 -0.797 0.000 1.037 498 V CA -2.589 59.407 62.300 -0.507 0.000 0.872 498 V CB 0.438 32.101 31.823 -0.268 0.000 1.002 498 V HN 0.730 nan 8.190 nan 0.000 0.464 499 P HA 0.196 nan 4.420 nan 0.000 0.256 499 P C 0.331 177.472 177.300 -0.265 0.000 1.173 499 P CA 0.883 63.732 63.100 -0.419 0.000 0.768 499 P CB 0.028 31.562 31.700 -0.276 0.000 0.758 500 K N 2.326 122.635 120.400 -0.152 0.000 2.295 500 K HA 0.499 4.819 4.320 0.001 0.000 0.270 500 K C 0.857 177.502 176.600 0.075 0.000 1.011 500 K CA 0.195 56.466 56.287 -0.027 0.000 0.953 500 K CB -0.569 31.960 32.500 0.048 0.000 0.956 500 K HN 0.619 nan 8.250 nan 0.000 0.477 501 E N -0.237 119.989 120.200 0.044 0.000 2.718 501 E HA 0.528 4.879 4.350 0.001 0.000 0.263 501 E C -0.276 176.352 176.600 0.046 0.000 1.434 501 E CA 0.328 56.768 56.400 0.067 0.000 1.106 501 E CB 0.351 30.061 29.700 0.017 0.000 1.029 501 E HN 1.253 nan 8.360 nan 0.000 0.631 502 F N 1.312 121.246 119.950 -0.027 0.000 2.556 502 F HA 0.607 5.134 4.527 0.001 0.000 0.314 502 F C -0.928 174.811 175.800 -0.103 0.000 1.106 502 F CA -0.593 57.319 58.000 -0.147 0.000 0.911 502 F CB 1.758 40.573 39.000 -0.308 0.000 1.190 502 F HN 1.015 nan 8.300 nan 0.000 0.448 503 N N 2.660 121.296 118.700 -0.107 0.000 2.647 503 N HA 0.621 5.361 4.740 0.001 0.000 0.266 503 N C 0.283 175.765 175.510 -0.048 0.000 1.373 503 N CA -0.106 52.911 53.050 -0.055 0.000 0.807 503 N CB 1.290 39.764 38.487 -0.021 0.000 1.513 503 N HN 0.627 nan 8.380 nan 0.000 0.505 504 A N -0.371 122.453 122.820 0.006 0.000 1.929 504 A HA 0.054 4.375 4.320 0.001 0.000 0.216 504 A C 1.985 179.618 177.584 0.083 0.000 1.176 504 A CA 2.053 54.129 52.037 0.065 0.000 0.628 504 A CB -1.641 17.410 19.000 0.085 0.000 0.816 504 A HN 0.912 nan 8.150 nan 0.000 0.444 505 E N -0.410 119.822 120.200 0.054 0.000 2.331 505 E HA -0.147 4.203 4.350 0.001 0.000 0.199 505 E C 1.836 178.477 176.600 0.068 0.000 1.008 505 E CA 1.881 58.314 56.400 0.056 0.000 0.843 505 E CB -1.550 28.173 29.700 0.038 0.000 0.761 505 E HN 0.650 nan 8.360 nan 0.000 0.507 506 T N 0.032 114.624 114.554 0.062 0.000 2.674 506 T HA 0.081 4.431 4.350 0.001 0.000 0.265 506 T C 0.173 175.059 174.700 0.310 0.000 1.039 506 T CA 0.793 62.954 62.100 0.102 0.000 1.150 506 T CB -0.181 68.658 68.868 -0.049 0.000 0.864 506 T HN 0.375 nan 8.240 nan 0.000 0.427 507 F N 1.939 121.852 119.950 -0.062 0.000 2.415 507 F HA 0.450 4.977 4.527 0.001 0.000 0.348 507 F C 0.344 176.007 175.800 -0.228 0.000 1.119 507 F CA -1.488 56.400 58.000 -0.187 0.000 1.069 507 F CB 0.933 39.876 39.000 -0.095 0.000 1.124 507 F HN -0.197 nan 8.300 nan 0.000 0.472 508 T N 5.222 119.631 114.554 -0.240 0.000 2.809 508 T HA 0.473 4.823 4.350 0.001 0.000 0.284 508 T C -0.836 173.674 174.700 -0.318 0.000 0.992 508 T CA -0.313 61.703 62.100 -0.141 0.000 0.957 508 T CB 0.291 69.130 68.868 -0.049 0.000 0.942 508 T HN 0.126 nan 8.240 nan 0.000 0.439 509 F N 2.267 122.276 119.950 0.099 0.000 2.311 509 F HA 0.439 4.967 4.527 0.001 0.000 0.371 509 F C 1.222 177.051 175.800 0.049 0.000 1.083 509 F CA -0.805 57.242 58.000 0.077 0.000 1.113 509 F CB 0.178 39.234 39.000 0.093 0.000 1.349 509 F HN 0.790 nan 8.300 nan 0.000 0.470 510 H N 0.417 119.578 119.070 0.151 0.000 2.458 510 H HA 0.700 5.257 4.556 0.001 0.000 0.330 510 H C 0.828 176.208 175.328 0.088 0.000 1.111 510 H CA -0.562 55.546 56.048 0.100 0.000 1.245 510 H CB 1.634 31.429 29.762 0.056 0.000 1.456 510 H HN 0.774 nan 8.280 nan 0.000 0.488 511 A N 1.554 124.412 122.820 0.064 0.000 2.125 511 A HA 0.035 4.355 4.320 0.001 0.000 0.219 511 A C 2.167 179.770 177.584 0.032 0.000 1.156 511 A CA 1.785 53.846 52.037 0.040 0.000 0.671 511 A CB -1.373 17.641 19.000 0.023 0.000 0.794 511 A HN 1.101 nan 8.150 nan 0.000 0.459 512 D N -0.123 120.298 120.400 0.034 0.000 2.389 512 D HA -0.018 4.622 4.640 0.001 0.000 0.221 512 D C 1.512 177.827 176.300 0.026 0.000 0.974 512 D CA 1.254 55.270 54.000 0.026 0.000 0.923 512 D CB -0.745 40.069 40.800 0.024 0.000 0.892 512 D HN 0.601 nan 8.370 nan 0.000 0.518 513 I N -0.020 120.571 120.570 0.035 0.000 2.761 513 I HA -0.121 4.050 4.170 0.001 0.000 0.261 513 I C 1.771 177.903 176.117 0.026 0.000 1.198 513 I CA 0.543 61.866 61.300 0.037 0.000 1.482 513 I CB 0.142 38.179 38.000 0.060 0.000 1.100 513 I HN 0.402 nan 8.210 nan 0.000 0.445 514 c N -0.261 118.349 118.600 0.017 0.000 2.594 514 c HA 0.019 4.590 4.570 0.001 0.000 0.265 514 c C 2.252 176.345 174.090 0.006 0.000 1.351 514 c CA 0.535 56.867 56.329 0.006 0.000 1.744 514 c CB -1.594 40.914 42.510 -0.003 0.000 1.890 514 c HN 0.541 nan 8.230 nan 0.000 0.551 515 T N -1.392 113.168 114.554 0.010 0.000 3.273 515 T HA 0.411 4.762 4.350 0.001 0.000 0.254 515 T C -0.034 174.673 174.700 0.011 0.000 1.002 515 T CA 0.074 62.179 62.100 0.009 0.000 0.913 515 T CB -0.524 68.351 68.868 0.010 0.000 1.056 515 T HN 0.373 nan 8.240 nan 0.000 0.576 516 L N 2.677 123.907 121.223 0.011 0.000 2.282 516 L HA 0.474 4.814 4.340 0.001 0.000 0.288 516 L C 0.832 177.706 176.870 0.007 0.000 1.033 516 L CA -0.999 53.848 54.840 0.012 0.000 0.807 516 L CB 1.445 43.514 42.059 0.017 0.000 1.209 516 L HN 0.357 nan 8.230 nan 0.000 0.423 517 S N 0.122 115.826 115.700 0.007 0.000 2.576 517 S HA -0.074 4.396 4.470 0.001 0.000 0.272 517 S C 1.125 175.724 174.600 -0.002 0.000 1.352 517 S CA 0.152 58.354 58.200 0.004 0.000 1.021 517 S CB 1.466 64.671 63.200 0.007 0.000 0.887 517 S HN 0.644 nan 8.310 nan 0.000 0.542 518 E N 2.289 122.483 120.200 -0.010 0.000 2.097 518 E HA -0.196 4.154 4.350 0.001 0.000 0.196 518 E C 2.379 178.963 176.600 -0.026 0.000 1.000 518 E CA 2.268 58.653 56.400 -0.025 0.000 0.804 518 E CB -1.420 28.261 29.700 -0.032 0.000 0.740 518 E HN 0.893 nan 8.360 nan 0.000 0.454 519 K N 1.405 121.799 120.400 -0.010 0.000 1.967 519 K HA -0.166 4.154 4.320 0.001 0.000 0.212 519 K C 2.154 178.761 176.600 0.011 0.000 1.044 519 K CA 1.934 58.222 56.287 0.002 0.000 0.942 519 K CB -1.534 30.976 32.500 0.015 0.000 0.726 519 K HN 0.802 nan 8.250 nan 0.000 0.440 520 E N 0.356 120.565 120.200 0.014 0.000 2.233 520 E HA -0.317 4.033 4.350 0.001 0.000 0.199 520 E C 2.278 178.889 176.600 0.020 0.000 1.004 520 E CA 1.400 57.810 56.400 0.017 0.000 0.819 520 E CB -0.287 29.422 29.700 0.015 0.000 0.738 520 E HN 0.537 nan 8.360 nan 0.000 0.478 521 R N 1.265 121.774 120.500 0.016 0.000 2.075 521 R HA -0.203 4.138 4.340 0.001 0.000 0.230 521 R C 2.794 179.117 176.300 0.038 0.000 1.140 521 R CA 2.317 58.433 56.100 0.025 0.000 0.928 521 R CB -0.243 30.063 30.300 0.011 0.000 0.834 521 R HN 0.462 nan 8.270 nan 0.000 0.429 522 Q N 0.051 119.861 119.800 0.017 0.000 2.181 522 Q HA -0.186 4.154 4.340 0.001 0.000 0.205 522 Q C 2.103 178.165 176.000 0.103 0.000 0.980 522 Q CA 1.675 57.512 55.803 0.058 0.000 0.862 522 Q CB -0.444 28.284 28.738 -0.017 0.000 0.905 522 Q HN 0.457 nan 8.270 nan 0.000 0.429 523 I N 1.056 121.665 120.570 0.064 0.000 2.264 523 I HA -0.274 3.897 4.170 0.001 0.000 0.248 523 I C 2.379 178.505 176.117 0.015 0.000 1.111 523 I CA 1.494 62.820 61.300 0.043 0.000 1.382 523 I CB -0.201 37.815 38.000 0.026 0.000 1.060 523 I HN 0.088 nan 8.210 nan 0.000 0.418 524 K N 0.069 120.479 120.400 0.017 0.000 2.103 524 K HA -0.106 4.214 4.320 0.001 0.000 0.204 524 K C 2.289 178.867 176.600 -0.036 0.000 1.052 524 K CA 0.851 57.130 56.287 -0.012 0.000 0.945 524 K CB -0.513 32.004 32.500 0.029 0.000 0.722 524 K HN 0.280 nan 8.250 nan 0.000 0.443 525 K N 0.633 121.055 120.400 0.037 0.000 2.097 525 K HA -0.101 4.219 4.320 0.001 0.000 0.206 525 K C 2.466 179.048 176.600 -0.031 0.000 1.049 525 K CA 1.672 57.979 56.287 0.034 0.000 0.933 525 K CB -0.352 32.246 32.500 0.163 0.000 0.717 525 K HN 0.536 nan 8.250 nan 0.000 0.442 526 Q N -0.846 118.961 119.800 0.011 0.000 2.187 526 Q HA -0.016 4.325 4.340 0.001 0.000 0.199 526 Q C 2.211 178.167 176.000 -0.073 0.000 0.957 526 Q CA 1.662 57.451 55.803 -0.024 0.000 0.857 526 Q CB -0.005 28.736 28.738 0.004 0.000 0.929 526 Q HN 0.409 nan 8.270 nan 0.000 0.453 527 T N 0.597 115.097 114.554 -0.090 0.000 2.881 527 T HA -0.121 4.229 4.350 0.001 0.000 0.270 527 T C 1.765 176.368 174.700 -0.161 0.000 1.068 527 T CA 0.997 63.032 62.100 -0.107 0.000 1.131 527 T CB -0.156 68.645 68.868 -0.112 0.000 0.871 527 T HN 0.364 nan 8.240 nan 0.000 0.479 528 A N 1.733 124.391 122.820 -0.270 0.000 1.841 528 A HA 0.033 4.353 4.320 0.001 0.000 0.214 528 A C 2.187 179.672 177.584 -0.164 0.000 1.195 528 A CA 1.131 52.935 52.037 -0.388 0.000 0.611 528 A CB -1.026 17.515 19.000 -0.766 0.000 0.835 528 A HN 0.381 nan 8.150 nan 0.000 0.443 529 L N 0.190 121.327 121.223 -0.142 0.000 2.103 529 L HA -0.190 4.151 4.340 0.001 0.000 0.215 529 L C 2.369 179.225 176.870 -0.025 0.000 1.080 529 L CA 2.007 56.809 54.840 -0.065 0.000 0.764 529 L CB -0.594 41.426 42.059 -0.064 0.000 0.890 529 L HN 0.183 nan 8.230 nan 0.000 0.435 530 V N -0.661 119.234 119.914 -0.031 0.000 2.244 530 V HA -0.228 3.892 4.120 0.001 0.000 0.244 530 V C 2.614 178.728 176.094 0.034 0.000 1.042 530 V CA 1.802 64.096 62.300 -0.009 0.000 1.006 530 V CB -0.635 31.175 31.823 -0.020 0.000 0.641 530 V HN 0.416 nan 8.190 nan 0.000 0.446 531 E N 0.219 120.454 120.200 0.058 0.000 2.097 531 E HA -0.213 4.138 4.350 0.001 0.000 0.196 531 E C 2.206 178.899 176.600 0.154 0.000 1.000 531 E CA 1.382 57.863 56.400 0.135 0.000 0.804 531 E CB -0.474 29.379 29.700 0.256 0.000 0.740 531 E HN 0.529 nan 8.360 nan 0.000 0.454 532 L N 0.228 121.535 121.223 0.140 0.000 2.012 532 L HA -0.185 4.155 4.340 0.001 0.000 0.210 532 L C 2.538 179.491 176.870 0.139 0.000 1.073 532 L CA 0.997 55.921 54.840 0.140 0.000 0.748 532 L CB -0.619 41.499 42.059 0.099 0.000 0.891 532 L HN 0.002 nan 8.230 nan 0.000 0.431 533 V N -0.260 119.707 119.914 0.089 0.000 2.667 533 V HA -0.206 3.914 4.120 0.001 0.000 0.252 533 V C 2.258 178.415 176.094 0.105 0.000 1.065 533 V CA 1.446 63.789 62.300 0.072 0.000 1.083 533 V CB -0.570 31.268 31.823 0.025 0.000 0.692 533 V HN 0.434 nan 8.190 nan 0.000 0.468 534 K N -0.551 119.927 120.400 0.129 0.000 2.365 534 K HA -0.135 4.185 4.320 0.001 0.000 0.199 534 K C 2.035 178.814 176.600 0.298 0.000 1.045 534 K CA 1.093 57.501 56.287 0.202 0.000 0.962 534 K CB -0.112 32.488 32.500 0.167 0.000 0.759 534 K HN 0.560 nan 8.250 nan 0.000 0.469 535 H N 0.690 119.826 119.070 0.110 0.000 2.418 535 H HA 0.091 4.648 4.556 0.001 0.000 0.300 535 H C 0.376 175.735 175.328 0.051 0.000 1.041 535 H CA 1.407 57.489 56.048 0.056 0.000 1.364 535 H CB 0.471 30.235 29.762 0.003 0.000 1.439 535 H HN -0.027 nan 8.280 nan 0.000 0.540 536 K N 0.853 121.249 120.400 -0.006 0.000 2.679 536 K HA 0.325 4.646 4.320 0.001 0.000 0.188 536 K C -2.523 174.090 176.600 0.022 0.000 1.055 536 K CA -1.383 54.864 56.287 -0.068 0.000 1.006 536 K CB 0.306 32.785 32.500 -0.034 0.000 1.317 536 K HN 0.209 nan 8.250 nan 0.000 0.584 537 P HA -0.245 nan 4.420 nan 0.000 0.214 537 P C 1.968 179.288 177.300 0.034 0.000 1.163 537 P CA 2.538 65.687 63.100 0.082 0.000 0.889 537 P CB 0.264 32.068 31.700 0.173 0.000 0.790 538 K N -0.455 119.957 120.400 0.020 0.000 2.519 538 K HA 0.153 4.474 4.320 0.001 0.000 0.196 538 K C 1.208 177.809 176.600 0.002 0.000 1.041 538 K CA 1.045 57.335 56.287 0.005 0.000 0.954 538 K CB -1.655 30.841 32.500 -0.006 0.000 0.774 538 K HN 0.370 nan 8.250 nan 0.000 0.480 539 A N 1.512 124.335 122.820 0.005 0.000 2.567 539 A HA 0.312 4.632 4.320 0.001 0.000 0.240 539 A C 0.788 178.378 177.584 0.011 0.000 1.053 539 A CA 0.730 52.773 52.037 0.011 0.000 0.755 539 A CB -0.578 18.437 19.000 0.026 0.000 0.978 539 A HN 0.573 nan 8.150 nan 0.000 0.507 540 T N 1.894 116.455 114.554 0.011 0.000 2.918 540 T HA 0.428 4.779 4.350 0.001 0.000 0.302 540 T C 1.640 176.347 174.700 0.012 0.000 1.045 540 T CA 0.526 62.632 62.100 0.009 0.000 1.114 540 T CB 0.677 69.551 68.868 0.010 0.000 0.965 540 T HN 1.049 nan 8.240 nan 0.000 0.540 541 K N 2.483 122.887 120.400 0.008 0.000 2.063 541 K HA -0.062 4.258 4.320 0.001 0.000 0.208 541 K C 2.478 179.086 176.600 0.013 0.000 1.048 541 K CA 2.518 58.809 56.287 0.008 0.000 0.928 541 K CB -1.834 30.668 32.500 0.004 0.000 0.713 541 K HN 0.959 nan 8.250 nan 0.000 0.442 542 E N 0.704 120.913 120.200 0.015 0.000 2.031 542 E HA -0.285 4.065 4.350 0.001 0.000 0.193 542 E C 2.067 178.681 176.600 0.024 0.000 0.994 542 E CA 1.755 58.166 56.400 0.019 0.000 0.800 542 E CB -0.824 28.886 29.700 0.018 0.000 0.752 542 E HN 0.853 nan 8.360 nan 0.000 0.447 543 Q N -0.684 119.130 119.800 0.024 0.000 2.234 543 Q HA -0.136 4.205 4.340 0.001 0.000 0.206 543 Q C 2.234 178.255 176.000 0.036 0.000 0.980 543 Q CA 1.557 57.378 55.803 0.029 0.000 0.869 543 Q CB -0.241 28.512 28.738 0.026 0.000 0.912 543 Q HN 0.480 nan 8.270 nan 0.000 0.436 544 L N 1.417 122.659 121.223 0.032 0.000 1.976 544 L HA -0.160 4.181 4.340 0.001 0.000 0.209 544 L C 2.703 179.597 176.870 0.039 0.000 1.071 544 L CA 3.008 57.869 54.840 0.035 0.000 0.746 544 L CB -0.964 41.108 42.059 0.023 0.000 0.890 544 L HN 0.244 nan 8.230 nan 0.000 0.432 545 K N -0.359 120.061 120.400 0.034 0.000 2.286 545 K HA -0.091 4.229 4.320 0.001 0.000 0.203 545 K C 1.816 178.451 176.600 0.057 0.000 1.045 545 K CA 1.643 57.955 56.287 0.042 0.000 0.935 545 K CB -1.655 30.867 32.500 0.036 0.000 0.737 545 K HN 0.683 nan 8.250 nan 0.000 0.460 546 A N 0.321 123.173 122.820 0.054 0.000 1.994 546 A HA 0.035 4.355 4.320 0.001 0.000 0.202 546 A C 2.242 179.873 177.584 0.078 0.000 1.286 546 A CA 1.576 53.649 52.037 0.060 0.000 0.653 546 A CB -1.130 17.900 19.000 0.050 0.000 0.926 546 A HN 0.834 nan 8.150 nan 0.000 0.494 547 V N -0.502 119.458 119.914 0.077 0.000 2.511 547 V HA -0.333 3.788 4.120 0.001 0.000 0.257 547 V C 2.434 178.614 176.094 0.143 0.000 1.088 547 V CA 3.162 65.521 62.300 0.098 0.000 1.098 547 V CB -0.639 31.240 31.823 0.092 0.000 0.674 547 V HN 0.647 nan 8.190 nan 0.000 0.470 548 M N 0.409 120.084 119.600 0.124 0.000 2.080 548 M HA -0.156 4.325 4.480 0.001 0.000 0.260 548 M C 1.853 178.271 176.300 0.197 0.000 1.068 548 M CA 2.582 57.969 55.300 0.145 0.000 1.109 548 M CB -0.902 31.745 32.600 0.079 0.000 1.342 548 M HN 0.514 nan 8.290 nan 0.000 0.405 549 D N -0.096 120.392 120.400 0.146 0.000 2.158 549 D HA -0.241 4.400 4.640 0.001 0.000 0.197 549 D C 1.682 178.075 176.300 0.154 0.000 0.995 549 D CA 1.569 55.652 54.000 0.138 0.000 0.846 549 D CB -0.407 40.453 40.800 0.101 0.000 0.941 549 D HN 0.525 nan 8.370 nan 0.000 0.456 550 D N -0.892 119.602 120.400 0.157 0.000 2.144 550 D HA -0.175 4.465 4.640 0.001 0.000 0.200 550 D C 1.987 178.414 176.300 0.210 0.000 0.978 550 D CA 0.294 54.387 54.000 0.154 0.000 0.833 550 D CB -0.455 40.412 40.800 0.112 0.000 0.961 550 D HN 0.211 nan 8.370 nan 0.000 0.470 551 F N 1.262 121.275 119.950 0.104 0.000 2.287 551 F HA -0.163 4.364 4.527 0.001 0.000 0.301 551 F C 2.053 177.950 175.800 0.162 0.000 1.069 551 F CA 1.317 59.401 58.000 0.139 0.000 1.372 551 F CB -0.044 39.025 39.000 0.116 0.000 1.056 551 F HN -0.002 nan 8.300 nan 0.000 0.523 552 A N 0.049 123.007 122.820 0.229 0.000 1.861 552 A HA 0.303 4.623 4.320 0.001 0.000 0.212 552 A C 1.842 179.475 177.584 0.081 0.000 1.199 552 A CA 0.736 52.855 52.037 0.137 0.000 0.613 552 A CB -1.217 17.868 19.000 0.141 0.000 0.846 552 A HN 0.268 nan 8.150 nan 0.000 0.446 553 A N -2.330 120.555 122.820 0.107 0.000 3.135 553 A HA 0.547 4.867 4.320 0.001 0.000 0.253 553 A C 0.300 177.976 177.584 0.153 0.000 1.638 553 A CA 0.038 52.129 52.037 0.091 0.000 1.295 553 A CB -0.773 18.279 19.000 0.086 0.000 1.106 553 A HN 0.698 nan 8.150 nan 0.000 0.648 554 F N -1.272 118.629 119.950 -0.082 0.000 2.532 554 F HA 0.062 4.589 4.527 0.001 0.000 0.372 554 F C 1.359 177.059 175.800 -0.166 0.000 0.806 554 F CA 0.672 58.598 58.000 -0.124 0.000 0.992 554 F CB 0.233 39.145 39.000 -0.148 0.000 0.990 554 F HN 0.071 nan 8.300 nan 0.000 0.632 555 V N 0.606 120.457 119.914 -0.105 0.000 2.548 555 V HA -0.082 4.039 4.120 0.001 0.000 0.249 555 V C 1.020 177.035 176.094 -0.132 0.000 1.055 555 V CA 2.163 64.368 62.300 -0.157 0.000 1.065 555 V CB -0.165 31.572 31.823 -0.143 0.000 0.681 555 V HN 0.217 nan 8.190 nan 0.000 0.462 556 E N -0.133 120.011 120.200 -0.094 0.000 2.452 556 E HA 0.120 4.471 4.350 0.001 0.000 0.293 556 E C 0.750 177.276 176.600 -0.124 0.000 1.535 556 E CA 0.515 56.868 56.400 -0.078 0.000 1.816 556 E CB -0.150 29.530 29.700 -0.034 0.000 1.494 556 E HN 0.654 nan 8.360 nan 0.000 0.464 557 K N -1.650 118.628 120.400 -0.204 0.000 2.600 557 K HA 0.222 4.542 4.320 0.001 0.000 0.210 557 K C 0.975 177.412 176.600 -0.271 0.000 1.650 557 K CA 0.382 56.515 56.287 -0.257 0.000 1.024 557 K CB -0.063 32.196 32.500 -0.401 0.000 1.370 557 K HN 0.539 nan 8.250 nan 0.000 0.619 558 C N -0.300 118.848 119.300 -0.253 0.000 2.341 558 C HA 0.165 4.625 4.460 0.001 0.000 0.372 558 C C 2.322 177.240 174.990 -0.120 0.000 1.430 558 C CA 0.567 59.464 59.018 -0.202 0.000 2.316 558 C CB -0.172 27.433 27.740 -0.224 0.000 2.416 558 C HN 0.747 nan 8.230 nan 0.000 0.583 559 c N 1.254 119.795 118.600 -0.098 0.000 2.485 559 c HA 0.019 4.590 4.570 0.001 0.000 0.283 559 c C 1.093 175.146 174.090 -0.062 0.000 1.478 559 c CA 0.779 57.072 56.329 -0.062 0.000 1.741 559 c CB -2.164 40.319 42.510 -0.044 0.000 1.675 559 c HN 0.526 nan 8.230 nan 0.000 0.573 560 K N 0.163 120.514 120.400 -0.082 0.000 2.877 560 K HA 0.491 4.811 4.320 0.001 0.000 0.176 560 K C 0.328 176.879 176.600 -0.081 0.000 1.075 560 K CA 0.150 56.395 56.287 -0.071 0.000 0.939 560 K CB 0.806 33.265 32.500 -0.068 0.000 1.237 560 K HN 0.302 nan 8.250 nan 0.000 0.607 561 A N 0.675 123.451 122.820 -0.073 0.000 1.592 561 A HA 0.406 4.726 4.320 0.001 0.000 0.195 561 A C 0.106 177.656 177.584 -0.056 0.000 1.632 561 A CA 0.811 52.803 52.037 -0.075 0.000 1.481 561 A CB -0.018 18.920 19.000 -0.104 0.000 1.388 561 A HN 0.552 nan 8.150 nan 0.000 0.540 562 D N 0.000 120.368 120.400 -0.053 0.000 6.856 562 D HA 0.000 4.640 4.640 0.001 0.000 0.175 562 D CA 0.000 53.977 54.000 -0.038 0.000 0.868 562 D CB 0.000 40.781 40.800 -0.031 0.000 0.688 562 D HN 0.000 nan 8.370 nan 0.000 0.683