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 3lu8_1_B DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRXXX XXMADccAKQ 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 VEKccKADDK ETcFAEEGKK LVAASQAA 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 0.000 174.619 174.600 0.031 0.000 1.055 5 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 5 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 6 E N 3.591 123.815 120.200 0.039 0.000 2.076 6 E HA 0.015 4.366 4.350 0.001 0.000 0.190 6 E C 1.792 178.484 176.600 0.154 0.000 0.979 6 E CA 1.717 58.171 56.400 0.091 0.000 0.807 6 E CB -0.182 29.541 29.700 0.038 0.000 0.761 6 E HN 0.502 nan 8.360 nan 0.000 0.454 7 V N 0.310 120.290 119.914 0.110 0.000 2.392 7 V HA -0.223 3.897 4.120 0.001 0.000 0.249 7 V C 2.067 178.262 176.094 0.168 0.000 1.059 7 V CA 2.254 64.666 62.300 0.186 0.000 1.051 7 V CB -0.483 31.432 31.823 0.153 0.000 0.658 7 V HN 0.455 nan 8.190 nan 0.000 0.455 8 A N -1.548 121.298 122.820 0.044 0.000 1.970 8 A HA -0.171 4.149 4.320 0.001 0.000 0.216 8 A C 2.198 179.843 177.584 0.103 0.000 1.170 8 A CA 1.331 53.359 52.037 -0.016 0.000 0.645 8 A CB -0.910 18.032 19.000 -0.096 0.000 0.816 8 A HN 0.803 nan 8.150 nan 0.000 0.447 9 H N -0.121 118.979 119.070 0.050 0.000 2.321 9 H HA -0.102 4.454 4.556 0.001 0.000 0.300 9 H C 2.009 177.402 175.328 0.109 0.000 1.087 9 H CA 1.606 57.691 56.048 0.063 0.000 1.319 9 H CB 0.080 29.869 29.762 0.045 0.000 1.379 9 H HN 0.248 nan 8.280 nan 0.000 0.501 10 R N 0.041 120.589 120.500 0.079 0.000 2.075 10 R HA -0.117 4.224 4.340 0.001 0.000 0.232 10 R C 2.368 178.769 176.300 0.168 0.000 1.126 10 R CA 0.648 56.799 56.100 0.086 0.000 0.963 10 R CB -1.439 29.010 30.300 0.247 0.000 0.858 10 R HN 0.316 nan 8.270 nan 0.000 0.435 11 F N 2.360 122.335 119.950 0.042 0.000 2.065 11 F HA -0.250 4.277 4.527 0.000 0.000 0.298 11 F C 2.163 177.889 175.800 -0.122 0.000 1.112 11 F CA 1.794 59.684 58.000 -0.184 0.000 1.212 11 F CB -0.087 38.620 39.000 -0.487 0.000 0.975 11 F HN -0.068 nan 8.300 nan 0.000 0.476 12 K N -0.343 120.165 120.400 0.180 0.000 2.103 12 K HA -0.197 4.123 4.320 0.001 0.000 0.207 12 K C 1.592 178.186 176.600 -0.010 0.000 1.048 12 K CA 1.812 58.147 56.287 0.081 0.000 0.930 12 K CB -0.261 32.262 32.500 0.038 0.000 0.716 12 K HN 0.309 nan 8.250 nan 0.000 0.444 13 D N 0.291 120.650 120.400 -0.070 0.000 2.162 13 D HA -0.033 4.608 4.640 0.001 0.000 0.205 13 D C 1.757 178.023 176.300 -0.056 0.000 0.964 13 D CA 0.862 54.810 54.000 -0.087 0.000 0.847 13 D CB -0.013 40.688 40.800 -0.165 0.000 0.988 13 D HN 0.065 nan 8.370 nan 0.000 0.480 14 L N -0.150 121.045 121.223 -0.048 0.000 2.341 14 L HA 0.241 4.581 4.340 0.001 0.000 0.214 14 L C 1.094 177.910 176.870 -0.090 0.000 1.115 14 L CA 0.322 55.136 54.840 -0.043 0.000 0.820 14 L CB -0.478 41.586 42.059 0.009 0.000 0.944 14 L HN 0.106 nan 8.230 nan 0.000 0.452 15 G N 0.432 109.131 108.800 -0.168 0.000 2.787 15 G HA2 -0.288 3.673 3.960 0.001 0.000 0.685 15 G HA3 -0.288 3.673 3.960 0.001 0.000 0.685 15 G C 0.335 174.977 174.900 -0.430 0.000 1.437 15 G CA 0.127 45.082 45.100 -0.241 0.000 0.872 15 G HN 0.286 nan 8.290 nan 0.000 0.566 16 E N -0.208 119.713 120.200 -0.464 0.000 2.077 16 E HA -0.137 4.213 4.350 0.001 0.000 0.193 16 E C 2.129 178.637 176.600 -0.154 0.000 0.989 16 E CA 1.697 57.818 56.400 -0.465 0.000 0.800 16 E CB -0.066 29.547 29.700 -0.144 0.000 0.746 16 E HN 0.694 nan 8.360 nan 0.000 0.452 17 E N 0.118 120.267 120.200 -0.085 0.000 2.012 17 E HA -0.196 4.155 4.350 0.001 0.000 0.197 17 E C 2.026 178.610 176.600 -0.027 0.000 1.007 17 E CA 1.320 57.703 56.400 -0.028 0.000 0.816 17 E CB -0.118 29.573 29.700 -0.014 0.000 0.762 17 E HN 0.257 nan 8.360 nan 0.000 0.451 18 N N 0.469 119.145 118.700 -0.041 0.000 2.166 18 N HA -0.151 4.590 4.740 0.001 0.000 0.186 18 N C 1.594 177.069 175.510 -0.059 0.000 1.019 18 N CA 0.692 53.715 53.050 -0.044 0.000 0.856 18 N CB -0.508 37.955 38.487 -0.040 0.000 0.993 18 N HN 0.116 nan 8.380 nan 0.000 0.426 19 F N 1.946 121.767 119.950 -0.215 0.000 2.095 19 F HA -0.173 4.354 4.527 0.000 0.000 0.298 19 F C 2.285 177.985 175.800 -0.166 0.000 1.104 19 F CA 1.551 59.419 58.000 -0.220 0.000 1.232 19 F CB -0.053 38.684 39.000 -0.437 0.000 0.987 19 F HN -0.074 nan 8.300 nan 0.000 0.475 20 K N -0.010 120.428 120.400 0.063 0.000 2.057 20 K HA -0.061 4.259 4.320 0.001 0.000 0.206 20 K C 2.169 178.690 176.600 -0.132 0.000 1.050 20 K CA 1.075 57.368 56.287 0.009 0.000 0.935 20 K CB -0.351 32.195 32.500 0.076 0.000 0.715 20 K HN 0.310 nan 8.250 nan 0.000 0.439 21 A N 0.732 123.485 122.820 -0.111 0.000 1.968 21 A HA -0.032 4.289 4.320 0.001 0.000 0.217 21 A C 1.995 179.460 177.584 -0.200 0.000 1.169 21 A CA 0.871 52.836 52.037 -0.120 0.000 0.638 21 A CB -0.374 18.587 19.000 -0.064 0.000 0.812 21 A HN 0.276 nan 8.150 nan 0.000 0.446 22 L N -0.701 120.373 121.223 -0.249 0.000 2.072 22 L HA -0.112 4.228 4.340 0.001 0.000 0.205 22 L C 2.475 179.080 176.870 -0.442 0.000 1.079 22 L CA 0.803 55.468 54.840 -0.292 0.000 0.752 22 L CB -0.351 41.551 42.059 -0.261 0.000 0.906 22 L HN 0.235 nan 8.230 nan 0.000 0.436 23 V N -0.143 119.400 119.914 -0.618 0.000 2.358 23 V HA -0.273 3.848 4.120 0.001 0.000 0.246 23 V C 2.354 177.892 176.094 -0.926 0.000 1.047 23 V CA 1.451 63.177 62.300 -0.958 0.000 1.035 23 V CB -0.366 30.820 31.823 -1.062 0.000 0.658 23 V HN 0.326 nan 8.190 nan 0.000 0.452 24 L N 0.138 121.028 121.223 -0.555 0.000 2.042 24 L HA -0.153 4.188 4.340 0.001 0.000 0.210 24 L C 2.165 178.840 176.870 -0.326 0.000 1.076 24 L CA 1.888 56.512 54.840 -0.360 0.000 0.749 24 L CB -0.569 41.386 42.059 -0.174 0.000 0.893 24 L HN 0.225 nan 8.230 nan 0.000 0.432 25 I N -0.369 120.013 120.570 -0.315 0.000 2.163 25 I HA -0.341 3.830 4.170 0.001 0.000 0.243 25 I C 2.592 178.519 176.117 -0.317 0.000 1.085 25 I CA 1.369 62.501 61.300 -0.282 0.000 1.347 25 I CB -0.660 37.198 38.000 -0.238 0.000 1.044 25 I HN 0.395 nan 8.210 nan 0.000 0.408 26 A N 0.777 123.357 122.820 -0.399 0.000 1.877 26 A HA -0.186 4.135 4.320 0.001 0.000 0.216 26 A C 2.078 179.533 177.584 -0.215 0.000 1.186 26 A CA 1.477 53.283 52.037 -0.386 0.000 0.620 26 A CB -0.828 17.916 19.000 -0.426 0.000 0.822 26 A HN 0.317 nan 8.150 nan 0.000 0.443 27 F N 0.217 120.003 119.950 -0.274 0.000 2.134 27 F HA -0.052 4.476 4.527 0.000 0.000 0.299 27 F C 2.832 178.463 175.800 -0.283 0.000 1.097 27 F CA 0.282 58.187 58.000 -0.160 0.000 1.264 27 F CB -1.308 37.654 39.000 -0.064 0.000 1.001 27 F HN 0.278 nan 8.300 nan 0.000 0.479 28 A N -0.468 122.175 122.820 -0.294 0.000 2.019 28 A HA -0.193 4.127 4.320 0.001 0.000 0.219 28 A C 2.107 179.557 177.584 -0.224 0.000 1.164 28 A CA 1.498 53.295 52.037 -0.400 0.000 0.644 28 A CB -0.647 18.142 19.000 -0.353 0.000 0.805 28 A HN 0.492 nan 8.150 nan 0.000 0.449 29 Q N -2.301 117.366 119.800 -0.222 0.000 2.297 29 Q HA -0.008 4.333 4.340 0.001 0.000 0.203 29 Q C 1.711 177.607 176.000 -0.173 0.000 0.931 29 Q CA 0.729 56.389 55.803 -0.238 0.000 0.885 29 Q CB -0.139 28.397 28.738 -0.337 0.000 0.991 29 Q HN 0.727 nan 8.270 nan 0.000 0.498 30 Y N 0.904 121.139 120.300 -0.109 0.000 2.109 30 Y HA -0.071 4.479 4.550 0.000 0.000 0.285 30 Y C 0.932 176.847 175.900 0.026 0.000 1.131 30 Y CA 0.737 58.777 58.100 -0.100 0.000 1.121 30 Y CB 0.054 38.323 38.460 -0.319 0.000 0.987 30 Y HN -0.013 nan 8.280 nan 0.000 0.495 31 L N 1.283 122.646 121.223 0.233 0.000 2.321 31 L HA 0.245 4.585 4.340 0.001 0.000 0.272 31 L C 0.717 177.714 176.870 0.212 0.000 1.050 31 L CA -0.096 54.890 54.840 0.243 0.000 0.893 31 L CB 1.013 43.230 42.059 0.263 0.000 1.272 31 L HN 0.148 nan 8.230 nan 0.000 0.435 32 Q N 0.272 120.140 119.800 0.113 0.000 2.435 32 Q HA -0.053 4.287 4.340 0.001 0.000 0.207 32 Q C 1.350 177.382 176.000 0.052 0.000 0.956 32 Q CA 0.688 56.507 55.803 0.028 0.000 0.917 32 Q CB 0.390 29.118 28.738 -0.016 0.000 0.997 32 Q HN 0.609 nan 8.270 nan 0.000 0.497 33 Q N -0.493 119.370 119.800 0.104 0.000 2.391 33 Q HA 0.040 4.380 4.340 0.001 0.000 0.211 33 Q C 0.680 176.770 176.000 0.150 0.000 0.908 33 Q CA 0.058 55.919 55.803 0.097 0.000 0.920 33 Q CB 0.139 28.914 28.738 0.063 0.000 1.056 33 Q HN 0.298 nan 8.270 nan 0.000 0.523 34 C N 3.747 123.162 119.300 0.190 0.000 2.611 34 C HA 0.150 4.610 4.460 0.001 0.000 0.416 34 C C -2.009 173.126 174.990 0.241 0.000 1.366 34 C CA -1.144 57.950 59.018 0.126 0.000 1.761 34 C CB 0.011 27.735 27.740 -0.028 0.000 2.619 34 C HN 0.159 nan 8.230 nan 0.000 0.606 35 P HA 0.156 nan 4.420 nan 0.000 0.274 35 P C 0.470 177.797 177.300 0.045 0.000 1.237 35 P CA -0.277 62.904 63.100 0.136 0.000 0.793 35 P CB 0.253 31.981 31.700 0.046 0.000 0.977 36 F N 2.088 121.837 119.950 -0.336 0.000 2.095 36 F HA -0.249 4.279 4.527 0.001 0.000 0.298 36 F C 1.888 177.534 175.800 -0.257 0.000 1.104 36 F CA 1.906 59.508 58.000 -0.664 0.000 1.232 36 F CB -0.442 38.093 39.000 -0.774 0.000 0.987 36 F HN 0.244 nan 8.300 nan 0.000 0.475 37 E N 0.571 120.644 120.200 -0.212 0.000 2.065 37 E HA -0.261 4.090 4.350 0.001 0.000 0.201 37 E C 1.890 178.341 176.600 -0.248 0.000 1.016 37 E CA 1.880 58.139 56.400 -0.235 0.000 0.818 37 E CB -0.996 28.658 29.700 -0.076 0.000 0.749 37 E HN 0.485 nan 8.360 nan 0.000 0.453 38 D N 0.018 120.299 120.400 -0.198 0.000 2.123 38 D HA -0.138 4.502 4.640 0.001 0.000 0.196 38 D C 1.961 178.134 176.300 -0.211 0.000 0.992 38 D CA 1.027 54.903 54.000 -0.206 0.000 0.833 38 D CB -0.362 40.289 40.800 -0.249 0.000 0.954 38 D HN 0.300 nan 8.370 nan 0.000 0.455 39 H N -0.179 118.806 119.070 -0.143 0.000 2.357 39 H HA 0.011 4.567 4.556 0.000 0.000 0.301 39 H C 2.292 177.555 175.328 -0.108 0.000 1.082 39 H CA 0.602 56.616 56.048 -0.056 0.000 1.342 39 H CB -0.301 29.474 29.762 0.022 0.000 1.389 39 H HN 0.031 nan 8.280 nan 0.000 0.511 40 V N 1.136 120.917 119.914 -0.222 0.000 2.407 40 V HA -0.221 3.899 4.120 0.001 0.000 0.248 40 V C 2.598 178.640 176.094 -0.088 0.000 1.055 40 V CA 1.640 63.795 62.300 -0.242 0.000 1.049 40 V CB -0.357 31.177 31.823 -0.482 0.000 0.662 40 V HN 0.301 nan 8.190 nan 0.000 0.455 41 K N -0.081 120.266 120.400 -0.088 0.000 2.009 41 K HA -0.176 4.145 4.320 0.001 0.000 0.210 41 K C 2.151 178.771 176.600 0.033 0.000 1.049 41 K CA 1.678 57.946 56.287 -0.033 0.000 0.929 41 K CB -0.263 32.204 32.500 -0.055 0.000 0.714 41 K HN 0.363 nan 8.250 nan 0.000 0.440 42 L N 0.490 121.745 121.223 0.053 0.000 1.989 42 L HA -0.241 4.100 4.340 0.001 0.000 0.211 42 L C 2.423 179.465 176.870 0.288 0.000 1.071 42 L CA 1.157 56.078 54.840 0.134 0.000 0.749 42 L CB -0.640 41.444 42.059 0.043 0.000 0.890 42 L HN 0.040 nan 8.230 nan 0.000 0.431 43 V N 0.245 120.337 119.914 0.297 0.000 2.282 43 V HA -0.334 3.787 4.120 0.001 0.000 0.249 43 V C 2.325 178.517 176.094 0.164 0.000 1.057 43 V CA 2.140 64.538 62.300 0.164 0.000 1.032 43 V CB -0.771 31.061 31.823 0.014 0.000 0.645 43 V HN 0.495 nan 8.190 nan 0.000 0.447 44 N N 0.041 118.815 118.700 0.123 0.000 2.058 44 N HA -0.168 4.572 4.740 0.001 0.000 0.191 44 N C 1.835 177.441 175.510 0.161 0.000 1.037 44 N CA 1.663 54.785 53.050 0.121 0.000 0.848 44 N CB -0.397 38.131 38.487 0.068 0.000 1.021 44 N HN 0.609 nan 8.380 nan 0.000 0.422 45 E N 0.439 120.730 120.200 0.152 0.000 2.049 45 E HA -0.147 4.203 4.350 0.001 0.000 0.198 45 E C 1.992 178.752 176.600 0.266 0.000 1.007 45 E CA 1.232 57.732 56.400 0.167 0.000 0.809 45 E CB -0.216 29.557 29.700 0.122 0.000 0.749 45 E HN 0.041 nan 8.360 nan 0.000 0.450 46 V N 1.298 121.409 119.914 0.329 0.000 2.380 46 V HA -0.294 3.826 4.120 0.001 0.000 0.251 46 V C 2.291 178.694 176.094 0.514 0.000 1.063 46 V CA 2.269 64.857 62.300 0.480 0.000 1.055 46 V CB -0.732 31.391 31.823 0.500 0.000 0.657 46 V HN 0.374 nan 8.190 nan 0.000 0.455 47 T N -1.220 113.591 114.554 0.428 0.000 2.851 47 T HA -0.152 4.199 4.350 0.001 0.000 0.262 47 T C 1.826 176.650 174.700 0.207 0.000 1.043 47 T CA 1.352 63.700 62.100 0.414 0.000 1.140 47 T CB -0.120 68.971 68.868 0.371 0.000 0.872 47 T HN 0.555 nan 8.240 nan 0.000 0.446 48 E N 0.256 120.569 120.200 0.189 0.000 2.049 48 E HA -0.171 4.180 4.350 0.001 0.000 0.198 48 E C 1.840 178.509 176.600 0.115 0.000 1.007 48 E CA 1.294 57.768 56.400 0.123 0.000 0.809 48 E CB -0.221 29.561 29.700 0.137 0.000 0.749 48 E HN 0.445 nan 8.360 nan 0.000 0.450 49 F N 0.926 120.912 119.950 0.060 0.000 2.171 49 F HA -0.120 4.407 4.527 0.000 0.000 0.300 49 F C 1.898 177.694 175.800 -0.008 0.000 1.090 49 F CA 1.360 59.385 58.000 0.043 0.000 1.293 49 F CB -0.632 38.425 39.000 0.096 0.000 1.013 49 F HN 0.039 nan 8.300 nan 0.000 0.486 50 A N 0.747 123.432 122.820 -0.225 0.000 1.865 50 A HA -0.265 4.055 4.320 0.001 0.000 0.217 50 A C 2.268 179.459 177.584 -0.655 0.000 1.191 50 A CA 2.201 53.964 52.037 -0.456 0.000 0.623 50 A CB -0.891 17.918 19.000 -0.319 0.000 0.826 50 A HN 0.455 nan 8.150 nan 0.000 0.444 51 K N -0.518 119.499 120.400 -0.638 0.000 2.127 51 K HA -0.191 4.129 4.320 0.001 0.000 0.208 51 K C 2.197 178.561 176.600 -0.393 0.000 1.047 51 K CA 2.035 57.965 56.287 -0.595 0.000 0.927 51 K CB -0.577 31.705 32.500 -0.364 0.000 0.716 51 K HN 0.802 nan 8.250 nan 0.000 0.450 52 T N -1.245 113.117 114.554 -0.320 0.000 2.788 52 T HA -0.160 4.191 4.350 0.001 0.000 0.268 52 T C 2.191 176.730 174.700 -0.269 0.000 1.044 52 T CA 1.415 63.376 62.100 -0.231 0.000 1.139 52 T CB -0.796 67.992 68.868 -0.133 0.000 0.867 52 T HN 0.262 nan 8.240 nan 0.000 0.454 53 c N 1.020 119.377 118.600 -0.404 0.000 2.446 53 c HA 0.167 4.737 4.570 0.001 0.000 0.279 53 c C 2.909 176.846 174.090 -0.255 0.000 1.366 53 c CA -0.109 56.025 56.329 -0.326 0.000 1.763 53 c CB -1.257 41.015 42.510 -0.397 0.000 1.929 53 c HN 0.447 nan 8.230 nan 0.000 0.509 54 V N 1.457 121.175 119.914 -0.326 0.000 2.453 54 V HA -0.128 3.993 4.120 0.001 0.000 0.247 54 V C 2.736 178.723 176.094 -0.178 0.000 1.048 54 V CA 2.068 64.207 62.300 -0.268 0.000 1.049 54 V CB -1.137 30.444 31.823 -0.402 0.000 0.672 54 V HN 0.570 nan 8.190 nan 0.000 0.457 55 A N -0.500 122.212 122.820 -0.179 0.000 1.873 55 A HA -0.132 4.188 4.320 0.001 0.000 0.215 55 A C 1.246 178.776 177.584 -0.090 0.000 1.186 55 A CA 1.851 53.817 52.037 -0.118 0.000 0.616 55 A CB -0.133 18.802 19.000 -0.110 0.000 0.823 55 A HN 0.535 nan 8.150 nan 0.000 0.442 56 D N -1.750 118.592 120.400 -0.098 0.000 2.602 56 D HA 0.327 4.967 4.640 0.001 0.000 0.245 56 D C -0.055 176.199 176.300 -0.077 0.000 1.325 56 D CA -0.373 53.585 54.000 -0.070 0.000 0.952 56 D CB 1.052 41.822 40.800 -0.050 0.000 1.317 56 D HN 0.267 nan 8.370 nan 0.000 0.577 57 E N 0.873 121.035 120.200 -0.062 0.000 2.482 57 E HA -0.055 4.295 4.350 0.001 0.000 0.196 57 E C 1.219 177.798 176.600 -0.035 0.000 1.047 57 E CA 0.448 56.813 56.400 -0.058 0.000 0.869 57 E CB 0.325 30.000 29.700 -0.041 0.000 0.836 57 E HN 0.420 nan 8.360 nan 0.000 0.520 58 S N -0.079 115.606 115.700 -0.025 0.000 2.556 58 S HA 0.295 4.766 4.470 0.001 0.000 0.216 58 S C 0.849 175.451 174.600 0.003 0.000 0.970 58 S CA -0.324 57.871 58.200 -0.008 0.000 0.912 58 S CB 0.368 63.564 63.200 -0.007 0.000 0.790 58 S HN 0.162 nan 8.310 nan 0.000 0.504 59 A N 1.715 124.534 122.820 -0.002 0.000 2.483 59 A HA 0.248 4.568 4.320 0.001 0.000 0.238 59 A C 1.206 178.829 177.584 0.066 0.000 1.070 59 A CA 0.005 52.056 52.037 0.024 0.000 0.770 59 A CB -0.065 18.942 19.000 0.012 0.000 1.008 59 A HN 0.561 nan 8.150 nan 0.000 0.497 60 E N 1.313 121.562 120.200 0.083 0.000 2.130 60 E HA -0.213 4.137 4.350 0.001 0.000 0.196 60 E C 0.939 177.602 176.600 0.105 0.000 0.998 60 E CA 1.744 58.190 56.400 0.077 0.000 0.806 60 E CB -0.016 29.719 29.700 0.059 0.000 0.738 60 E HN 0.786 nan 8.360 nan 0.000 0.459 61 N N -0.573 118.241 118.700 0.190 0.000 2.299 61 N HA -0.011 4.729 4.740 0.001 0.000 0.187 61 N C 1.326 177.032 175.510 0.327 0.000 1.099 61 N CA 0.239 53.423 53.050 0.224 0.000 0.867 61 N CB 0.209 38.775 38.487 0.131 0.000 0.974 61 N HN 0.228 nan 8.380 nan 0.000 0.477 62 c N 1.864 120.621 118.600 0.262 0.000 2.449 62 c HA -0.053 4.517 4.570 0.001 0.000 0.283 62 c C 1.996 176.127 174.090 0.068 0.000 1.453 62 c CA 0.330 56.724 56.329 0.108 0.000 1.779 62 c CB -0.992 41.486 42.510 -0.055 0.000 1.779 62 c HN 0.502 nan 8.230 nan 0.000 0.546 63 D N 0.716 121.159 120.400 0.071 0.000 2.347 63 D HA -0.037 4.603 4.640 0.001 0.000 0.213 63 D C 0.749 177.075 176.300 0.042 0.000 0.985 63 D CA 0.391 54.415 54.000 0.040 0.000 0.879 63 D CB -0.268 40.549 40.800 0.029 0.000 0.919 63 D HN 0.413 nan 8.370 nan 0.000 0.526 64 K N 0.828 121.270 120.400 0.069 0.000 2.234 64 K HA 0.165 4.485 4.320 0.001 0.000 0.251 64 K C 0.706 177.321 176.600 0.025 0.000 1.011 64 K CA -0.091 56.227 56.287 0.052 0.000 0.889 64 K CB 0.467 33.009 32.500 0.069 0.000 1.011 64 K HN 0.141 nan 8.250 nan 0.000 0.505 65 S N 0.376 116.079 115.700 0.005 0.000 2.610 65 S HA 0.153 4.624 4.470 0.001 0.000 0.273 65 S C 1.394 175.933 174.600 -0.101 0.000 1.274 65 S CA -0.779 57.398 58.200 -0.038 0.000 1.023 65 S CB 0.577 63.766 63.200 -0.018 0.000 0.962 65 S HN 0.542 nan 8.310 nan 0.000 0.523 66 L N 0.819 121.916 121.223 -0.210 0.000 2.043 66 L HA -0.192 4.148 4.340 0.001 0.000 0.212 66 L C 2.624 179.283 176.870 -0.352 0.000 1.075 66 L CA 1.888 56.426 54.840 -0.503 0.000 0.752 66 L CB -1.039 40.730 42.059 -0.484 0.000 0.891 66 L HN 0.853 nan 8.230 nan 0.000 0.432 67 H N -0.863 118.140 119.070 -0.112 0.000 2.353 67 H HA -0.141 4.416 4.556 0.000 0.000 0.300 67 H C 2.366 177.712 175.328 0.029 0.000 1.090 67 H CA 1.416 57.479 56.048 0.026 0.000 1.327 67 H CB 0.094 29.896 29.762 0.067 0.000 1.383 67 H HN 0.329 nan 8.280 nan 0.000 0.508 68 T N 1.261 115.897 114.554 0.137 0.000 2.643 68 T HA -0.152 4.198 4.350 0.001 0.000 0.264 68 T C 2.232 176.976 174.700 0.072 0.000 1.045 68 T CA 0.996 63.147 62.100 0.085 0.000 1.155 68 T CB -0.435 68.466 68.868 0.055 0.000 0.863 68 T HN 0.166 nan 8.240 nan 0.000 0.420 69 L N -0.075 121.166 121.223 0.031 0.000 1.956 69 L HA -0.143 4.198 4.340 0.001 0.000 0.216 69 L C 2.567 179.583 176.870 0.243 0.000 1.073 69 L CA 1.635 56.520 54.840 0.077 0.000 0.762 69 L CB -0.724 41.360 42.059 0.041 0.000 0.889 69 L HN 0.199 nan 8.230 nan 0.000 0.433 70 F N 0.248 120.322 119.950 0.207 0.000 2.134 70 F HA -0.098 4.429 4.527 0.001 0.000 0.299 70 F C 2.550 178.379 175.800 0.048 0.000 1.097 70 F CA 0.988 59.142 58.000 0.257 0.000 1.264 70 F CB -1.864 37.368 39.000 0.387 0.000 1.001 70 F HN 0.046 nan 8.300 nan 0.000 0.479 71 G N -0.374 108.544 108.800 0.196 0.000 2.448 71 G HA2 -0.218 3.742 3.960 0.001 0.000 0.219 71 G HA3 -0.218 3.742 3.960 0.001 0.000 0.219 71 G C 1.342 176.275 174.900 0.054 0.000 1.127 71 G CA 1.045 46.177 45.100 0.053 0.000 0.766 71 G HN 0.246 nan 8.290 nan 0.000 0.552 72 D N 0.358 120.791 120.400 0.056 0.000 2.137 72 D HA 0.001 4.641 4.640 0.001 0.000 0.202 72 D C 2.383 178.668 176.300 -0.025 0.000 0.970 72 D CA 0.769 54.779 54.000 0.018 0.000 0.837 72 D CB -0.127 40.677 40.800 0.007 0.000 0.981 72 D HN 0.103 nan 8.370 nan 0.000 0.475 73 K N 0.594 120.973 120.400 -0.035 0.000 2.032 73 K HA -0.012 4.309 4.320 0.001 0.000 0.209 73 K C 2.134 178.591 176.600 -0.237 0.000 1.048 73 K CA 0.618 56.830 56.287 -0.125 0.000 0.927 73 K CB -0.362 32.065 32.500 -0.121 0.000 0.712 73 K HN 0.107 nan 8.250 nan 0.000 0.441 74 L N -0.478 120.567 121.223 -0.297 0.000 2.141 74 L HA -0.210 4.131 4.340 0.001 0.000 0.209 74 L C 2.038 178.874 176.870 -0.056 0.000 1.094 74 L CA 0.766 55.436 54.840 -0.283 0.000 0.763 74 L CB -0.327 41.482 42.059 -0.417 0.000 0.908 74 L HN 0.253 nan 8.230 nan 0.000 0.437 75 c N -0.437 118.167 118.600 0.006 0.000 2.522 75 c HA -0.048 4.522 4.570 0.001 0.000 0.271 75 c C 2.860 176.942 174.090 -0.013 0.000 1.425 75 c CA 1.041 57.395 56.329 0.041 0.000 1.751 75 c CB -1.074 41.467 42.510 0.051 0.000 1.775 75 c HN 0.637 nan 8.230 nan 0.000 0.557 76 T N -2.985 111.541 114.554 -0.047 0.000 2.942 76 T HA -0.031 4.319 4.350 0.001 0.000 0.265 76 T C 1.396 176.061 174.700 -0.058 0.000 1.062 76 T CA 1.264 63.333 62.100 -0.053 0.000 1.139 76 T CB -0.130 68.698 68.868 -0.066 0.000 0.883 76 T HN 0.279 nan 8.240 nan 0.000 0.468 77 V N 0.064 119.934 119.914 -0.073 0.000 3.645 77 V HA 0.568 4.689 4.120 0.001 0.000 0.275 77 V C 2.515 178.579 176.094 -0.049 0.000 1.356 77 V CA 0.553 62.804 62.300 -0.081 0.000 1.051 77 V CB 0.175 31.913 31.823 -0.141 0.000 0.828 77 V HN 0.627 nan 8.190 nan 0.000 0.441 78 A N -0.863 121.948 122.820 -0.015 0.000 1.911 78 A HA 0.085 4.405 4.320 0.001 0.000 0.212 78 A C 1.403 178.987 177.584 0.001 0.000 1.189 78 A CA 0.874 52.925 52.037 0.023 0.000 0.639 78 A CB -0.376 18.687 19.000 0.105 0.000 0.839 78 A HN 0.412 nan 8.150 nan 0.000 0.449 79 T N 0.702 115.250 114.554 -0.009 0.000 2.866 79 T HA 0.289 4.640 4.350 0.001 0.000 0.293 79 T C 0.422 175.108 174.700 -0.024 0.000 1.005 79 T CA 1.411 63.498 62.100 -0.021 0.000 1.162 79 T CB 0.833 69.687 68.868 -0.023 0.000 0.968 79 T HN 0.493 nan 8.240 nan 0.000 0.530 80 L N 2.962 124.169 121.223 -0.027 0.000 1.399 80 L HA 0.308 4.648 4.340 0.001 0.000 0.063 80 L C 0.314 177.166 176.870 -0.029 0.000 1.586 80 L CA 0.272 55.096 54.840 -0.026 0.000 1.067 80 L CB -0.176 41.869 42.059 -0.023 0.000 2.094 80 L HN 0.438 nan 8.230 nan 0.000 0.427 88 A N 2.229 124.998 122.820 -0.085 0.000 1.903 88 A HA -0.246 4.075 4.320 0.001 0.000 0.219 88 A C 1.660 179.188 177.584 -0.093 0.000 1.191 88 A CA 3.024 55.016 52.037 -0.074 0.000 0.638 88 A CB -1.154 17.814 19.000 -0.053 0.000 0.823 88 A HN 0.740 nan 8.150 nan 0.000 0.451 89 D N -0.147 120.200 120.400 -0.088 0.000 2.144 89 D HA -0.152 4.488 4.640 0.001 0.000 0.199 89 D C 1.874 178.100 176.300 -0.123 0.000 0.984 89 D CA 1.675 55.628 54.000 -0.079 0.000 0.834 89 D CB -1.301 39.472 40.800 -0.045 0.000 0.955 89 D HN 0.429 nan 8.370 nan 0.000 0.465 90 c N 0.384 118.855 118.600 -0.215 0.000 2.425 90 c HA -0.063 4.507 4.570 0.001 0.000 0.277 90 c C 2.893 176.810 174.090 -0.288 0.000 1.280 90 c CA 0.491 56.601 56.329 -0.364 0.000 1.744 90 c CB -1.185 40.828 42.510 -0.828 0.000 1.989 90 c HN 0.495 nan 8.230 nan 0.000 0.491 91 c N 1.288 119.754 118.600 -0.224 0.000 2.539 91 c HA 0.188 4.759 4.570 0.001 0.000 0.271 91 c C 2.769 176.813 174.090 -0.076 0.000 1.412 91 c CA 0.570 56.830 56.329 -0.115 0.000 1.729 91 c CB -1.887 40.581 42.510 -0.070 0.000 1.739 91 c HN 0.705 nan 8.230 nan 0.000 0.570 92 A N 0.330 123.100 122.820 -0.083 0.000 2.119 92 A HA 0.025 4.346 4.320 0.001 0.000 0.216 92 A C 0.975 178.527 177.584 -0.053 0.000 1.152 92 A CA 0.796 52.799 52.037 -0.058 0.000 0.708 92 A CB -0.061 18.907 19.000 -0.053 0.000 0.805 92 A HN 0.660 nan 8.150 nan 0.000 0.460 93 K N 0.775 121.134 120.400 -0.069 0.000 2.098 93 K HA 0.378 4.698 4.320 0.001 0.000 0.258 93 K C -0.427 176.151 176.600 -0.037 0.000 0.973 93 K CA -0.668 55.585 56.287 -0.056 0.000 0.898 93 K CB 0.713 33.166 32.500 -0.079 0.000 1.057 93 K HN 0.220 nan 8.250 nan 0.000 0.447 94 Q N 1.576 121.364 119.800 -0.020 0.000 2.260 94 Q HA 0.121 4.462 4.340 0.001 0.000 0.242 94 Q C -0.149 175.857 176.000 0.009 0.000 0.932 94 Q CA -0.264 55.539 55.803 -0.001 0.000 0.891 94 Q CB 0.857 29.598 28.738 0.005 0.000 1.222 94 Q HN 0.427 nan 8.270 nan 0.000 0.453 95 E N 2.771 122.989 120.200 0.030 0.000 2.384 95 E HA 0.039 4.389 4.350 0.001 0.000 0.266 95 E C -1.326 175.310 176.600 0.059 0.000 1.012 95 E CA -1.188 55.246 56.400 0.056 0.000 0.901 95 E CB 0.506 30.260 29.700 0.091 0.000 0.967 95 E HN 0.396 nan 8.360 nan 0.000 0.435 96 P HA 0.048 nan 4.420 nan 0.000 0.245 96 P C 0.565 177.893 177.300 0.046 0.000 1.206 96 P CA 0.482 63.639 63.100 0.095 0.000 0.781 96 P CB 0.518 32.293 31.700 0.126 0.000 0.994 97 E N 0.452 120.663 120.200 0.019 0.000 2.150 97 E HA -0.151 4.199 4.350 0.001 0.000 0.193 97 E C 2.279 178.846 176.600 -0.055 0.000 0.985 97 E CA 0.558 56.951 56.400 -0.012 0.000 0.814 97 E CB -0.127 29.563 29.700 -0.017 0.000 0.752 97 E HN 0.196 nan 8.360 nan 0.000 0.466 98 R N 1.223 121.688 120.500 -0.059 0.000 2.080 98 R HA -0.219 4.122 4.340 0.001 0.000 0.236 98 R C 2.167 178.414 176.300 -0.088 0.000 1.137 98 R CA 2.036 58.070 56.100 -0.110 0.000 0.943 98 R CB -0.234 30.035 30.300 -0.052 0.000 0.846 98 R HN 0.034 nan 8.270 nan 0.000 0.431 99 N N 0.164 118.835 118.700 -0.048 0.000 2.061 99 N HA -0.225 4.515 4.740 0.001 0.000 0.193 99 N C 1.579 177.045 175.510 -0.073 0.000 1.030 99 N CA 1.981 54.958 53.050 -0.121 0.000 0.856 99 N CB -0.116 38.173 38.487 -0.330 0.000 1.023 99 N HN 0.256 nan 8.380 nan 0.000 0.424 100 E N -0.445 119.728 120.200 -0.046 0.000 2.150 100 E HA -0.095 4.255 4.350 0.001 0.000 0.193 100 E C 2.075 178.620 176.600 -0.091 0.000 0.985 100 E CA 0.646 57.037 56.400 -0.015 0.000 0.814 100 E CB -0.601 29.116 29.700 0.028 0.000 0.752 100 E HN 0.487 nan 8.360 nan 0.000 0.466 101 c N -0.531 117.963 118.600 -0.176 0.000 2.442 101 c HA -0.156 4.415 4.570 0.001 0.000 0.279 101 c C 2.316 176.103 174.090 -0.504 0.000 1.237 101 c CA 0.737 56.839 56.329 -0.378 0.000 1.722 101 c CB -1.361 40.923 42.510 -0.377 0.000 2.056 101 c HN 0.449 nan 8.230 nan 0.000 0.469 102 F N 1.366 121.124 119.950 -0.319 0.000 2.063 102 F HA -0.149 4.378 4.527 0.000 0.000 0.298 102 F C 2.215 178.001 175.800 -0.023 0.000 1.109 102 F CA 2.120 59.982 58.000 -0.229 0.000 1.212 102 F CB -0.975 37.708 39.000 -0.529 0.000 0.973 102 F HN 0.215 nan 8.300 nan 0.000 0.480 103 L N -0.729 120.638 121.223 0.240 0.000 2.042 103 L HA -0.279 4.062 4.340 0.001 0.000 0.210 103 L C 2.521 179.453 176.870 0.103 0.000 1.076 103 L CA 1.591 56.541 54.840 0.184 0.000 0.749 103 L CB -0.846 41.280 42.059 0.112 0.000 0.893 103 L HN 0.219 nan 8.230 nan 0.000 0.432 104 Q N -0.574 119.220 119.800 -0.011 0.000 2.135 104 Q HA -0.226 4.115 4.340 0.001 0.000 0.204 104 Q C 1.836 177.894 176.000 0.098 0.000 0.981 104 Q CA 1.424 57.216 55.803 -0.018 0.000 0.856 104 Q CB 0.076 28.719 28.738 -0.157 0.000 0.902 104 Q HN 0.589 nan 8.270 nan 0.000 0.425 105 H N 0.010 119.137 119.070 0.095 0.000 2.547 105 H HA 0.183 4.740 4.556 0.001 0.000 0.266 105 H C -0.010 175.372 175.328 0.090 0.000 0.988 105 H CA 0.200 56.296 56.048 0.079 0.000 1.147 105 H CB -0.004 29.795 29.762 0.062 0.000 1.365 105 H HN 0.085 nan 8.280 nan 0.000 0.589 106 K N 1.821 122.334 120.400 0.190 0.000 2.489 106 K HA -0.029 4.291 4.320 0.001 0.000 0.278 106 K C -0.098 176.573 176.600 0.119 0.000 1.000 106 K CA 0.329 56.665 56.287 0.082 0.000 1.012 106 K CB 0.491 32.921 32.500 -0.116 0.000 0.903 106 K HN 0.073 nan 8.250 nan 0.000 0.485 107 D N 2.138 122.581 120.400 0.072 0.000 2.408 107 D HA 0.097 4.737 4.640 0.001 0.000 0.243 107 D C -0.079 176.252 176.300 0.052 0.000 1.075 107 D CA -0.375 53.664 54.000 0.065 0.000 0.832 107 D CB 1.273 42.092 40.800 0.032 0.000 1.162 107 D HN 0.397 nan 8.370 nan 0.000 0.515 108 D N 2.197 122.639 120.400 0.070 0.000 2.317 108 D HA -0.084 4.556 4.640 0.001 0.000 0.211 108 D C 0.146 176.428 176.300 -0.029 0.000 0.966 108 D CA 0.619 54.646 54.000 0.045 0.000 0.876 108 D CB 0.398 41.228 40.800 0.049 0.000 0.927 108 D HN 0.276 nan 8.370 nan 0.000 0.519 109 N N 0.572 119.256 118.700 -0.028 0.000 2.726 109 N HA 0.141 4.882 4.740 0.001 0.000 0.253 109 N C -2.790 172.695 175.510 -0.042 0.000 1.530 109 N CA -1.254 51.767 53.050 -0.049 0.000 0.772 109 N CB 1.340 39.804 38.487 -0.038 0.000 1.220 109 N HN -0.174 nan 8.380 nan 0.000 0.508 110 P HA 0.226 nan 4.420 nan 0.000 0.279 110 P C -0.750 176.527 177.300 -0.039 0.000 1.239 110 P CA -0.348 62.728 63.100 -0.039 0.000 0.789 110 P CB 0.697 32.368 31.700 -0.047 0.000 0.933 111 N N 2.722 121.405 118.700 -0.028 0.000 2.454 111 N HA 0.148 4.889 4.740 0.001 0.000 0.285 111 N C -0.357 175.140 175.510 -0.021 0.000 1.233 111 N CA 0.588 53.623 53.050 -0.024 0.000 1.036 111 N CB -0.696 37.779 38.487 -0.019 0.000 1.423 111 N HN 0.384 nan 8.380 nan 0.000 0.495 112 L N 2.299 123.505 121.223 -0.028 0.000 2.422 112 L HA 0.519 4.859 4.340 0.001 0.000 0.264 112 L C -2.050 174.806 176.870 -0.023 0.000 0.984 112 L CA -1.886 52.939 54.840 -0.025 0.000 0.819 112 L CB 2.520 44.553 42.059 -0.043 0.000 1.330 112 L HN 0.213 nan 8.230 nan 0.000 0.410 113 P HA 0.150 nan 4.420 nan 0.000 0.271 113 P C -0.890 176.402 177.300 -0.013 0.000 1.220 113 P CA -0.436 62.659 63.100 -0.009 0.000 0.768 113 P CB 0.505 32.205 31.700 0.001 0.000 0.848 114 R N 2.299 122.791 120.500 -0.012 0.000 2.738 114 R HA 0.275 4.616 4.340 0.001 0.000 0.268 114 R C -0.207 176.090 176.300 -0.004 0.000 1.062 114 R CA -0.695 55.398 56.100 -0.012 0.000 1.158 114 R CB -0.117 30.178 30.300 -0.008 0.000 1.046 114 R HN 0.142 nan 8.270 nan 0.000 0.493 115 L N 2.486 123.707 121.223 -0.003 0.000 2.410 115 L HA 0.215 4.555 4.340 0.001 0.000 0.273 115 L C -0.336 176.546 176.870 0.020 0.000 1.144 115 L CA 0.151 54.994 54.840 0.005 0.000 0.863 115 L CB 1.171 43.229 42.059 -0.001 0.000 1.140 115 L HN 0.589 nan 8.230 nan 0.000 0.463 116 V N 6.152 126.083 119.914 0.028 0.000 2.488 116 V HA 0.475 4.595 4.120 0.001 0.000 0.293 116 V C -0.126 176.000 176.094 0.054 0.000 1.027 116 V CA -0.890 61.432 62.300 0.037 0.000 0.862 116 V CB 1.394 33.234 31.823 0.028 0.000 1.008 116 V HN 0.892 nan 8.190 nan 0.000 0.428 117 R N 7.926 128.469 120.500 0.071 0.000 2.316 117 R HA 0.542 4.882 4.340 0.001 0.000 0.314 117 R C -2.285 174.073 176.300 0.096 0.000 1.069 117 R CA -1.008 55.154 56.100 0.103 0.000 0.959 117 R CB 0.710 31.091 30.300 0.135 0.000 0.987 117 R HN 0.593 nan 8.270 nan 0.000 0.446 118 P HA 0.044 nan 4.420 nan 0.000 0.275 118 P C -0.723 176.633 177.300 0.094 0.000 1.270 118 P CA -0.421 62.732 63.100 0.088 0.000 0.791 118 P CB 0.509 32.263 31.700 0.090 0.000 1.089 119 E N -0.800 119.443 120.200 0.072 0.000 2.467 119 E HA -0.018 4.333 4.350 0.001 0.000 0.264 119 E C 1.350 177.997 176.600 0.079 0.000 1.020 119 E CA -0.355 56.082 56.400 0.062 0.000 0.945 119 E CB 0.341 30.068 29.700 0.046 0.000 0.942 119 E HN 0.060 nan 8.360 nan 0.000 0.449 120 V N 2.697 122.649 119.914 0.064 0.000 2.282 120 V HA -0.285 3.835 4.120 0.001 0.000 0.249 120 V C 1.732 177.872 176.094 0.077 0.000 1.057 120 V CA 2.195 64.536 62.300 0.069 0.000 1.032 120 V CB -0.307 31.528 31.823 0.019 0.000 0.645 120 V HN 0.752 nan 8.190 nan 0.000 0.447 121 D N -0.639 119.792 120.400 0.052 0.000 2.312 121 D HA -0.084 4.556 4.640 0.001 0.000 0.211 121 D C 1.951 178.281 176.300 0.050 0.000 0.964 121 D CA 0.749 54.776 54.000 0.046 0.000 0.877 121 D CB 0.136 40.953 40.800 0.028 0.000 0.924 121 D HN 0.312 nan 8.370 nan 0.000 0.515 122 V N 0.467 120.415 119.914 0.057 0.000 2.453 122 V HA -0.191 3.929 4.120 0.001 0.000 0.247 122 V C 2.569 178.696 176.094 0.054 0.000 1.048 122 V CA 1.049 63.382 62.300 0.055 0.000 1.049 122 V CB -0.327 31.533 31.823 0.061 0.000 0.672 122 V HN 0.228 nan 8.190 nan 0.000 0.457 123 M N -0.811 118.843 119.600 0.090 0.000 2.086 123 M HA -0.210 4.270 4.480 0.001 0.000 0.261 123 M C 2.448 178.668 176.300 -0.134 0.000 1.067 123 M CA 1.882 57.211 55.300 0.050 0.000 1.116 123 M CB -0.853 31.935 32.600 0.313 0.000 1.348 123 M HN 0.384 nan 8.290 nan 0.000 0.407 124 c N 0.390 119.017 118.600 0.046 0.000 2.411 124 c HA -0.132 4.438 4.570 0.001 0.000 0.279 124 c C 2.883 177.038 174.090 0.108 0.000 1.288 124 c CA 1.366 57.764 56.329 0.115 0.000 1.764 124 c CB -1.266 41.350 42.510 0.176 0.000 1.974 124 c HN 0.589 nan 8.230 nan 0.000 0.498 125 T N 1.258 115.835 114.554 0.038 0.000 2.674 125 T HA -0.131 4.220 4.350 0.001 0.000 0.265 125 T C 2.197 176.883 174.700 -0.022 0.000 1.039 125 T CA 1.775 63.889 62.100 0.024 0.000 1.150 125 T CB -0.495 68.383 68.868 0.017 0.000 0.864 125 T HN 0.641 nan 8.240 nan 0.000 0.427 126 A N 1.045 123.818 122.820 -0.079 0.000 1.933 126 A HA -0.037 4.284 4.320 0.001 0.000 0.218 126 A C 2.026 179.464 177.584 -0.244 0.000 1.175 126 A CA 1.390 53.368 52.037 -0.099 0.000 0.628 126 A CB -0.959 18.043 19.000 0.004 0.000 0.814 126 A HN 0.460 nan 8.150 nan 0.000 0.444 127 F N 0.356 119.854 119.950 -0.753 0.000 2.075 127 F HA -0.182 4.345 4.527 0.000 0.000 0.297 127 F C 2.170 177.731 175.800 -0.398 0.000 1.113 127 F CA 2.289 59.770 58.000 -0.864 0.000 1.218 127 F CB -0.738 37.614 39.000 -1.080 0.000 0.984 127 F HN 0.399 nan 8.300 nan 0.000 0.472 128 H N -0.980 117.886 119.070 -0.340 0.000 2.462 128 H HA -0.072 4.484 4.556 0.001 0.000 0.292 128 H C 1.797 176.977 175.328 -0.247 0.000 1.049 128 H CA 1.486 57.326 56.048 -0.346 0.000 1.334 128 H CB -0.250 29.421 29.762 -0.152 0.000 1.404 128 H HN 0.435 nan 8.280 nan 0.000 0.544 129 D N 0.096 120.454 120.400 -0.070 0.000 2.088 129 D HA -0.149 4.492 4.640 0.001 0.000 0.196 129 D C 0.515 176.768 176.300 -0.078 0.000 0.983 129 D CA 1.028 54.997 54.000 -0.052 0.000 0.846 129 D CB 0.079 40.866 40.800 -0.022 0.000 0.992 129 D HN 0.074 nan 8.370 nan 0.000 0.448 130 N N -0.359 118.298 118.700 -0.073 0.000 2.623 130 N HA 0.050 4.791 4.740 0.001 0.000 0.256 130 N C 0.093 175.572 175.510 -0.051 0.000 1.045 130 N CA -0.141 52.881 53.050 -0.047 0.000 0.863 130 N CB 1.243 39.744 38.487 0.022 0.000 1.182 130 N HN 0.451 nan 8.380 nan 0.000 0.523 131 E N 2.065 122.155 120.200 -0.184 0.000 2.107 131 E HA -0.108 4.242 4.350 0.001 0.000 0.191 131 E C 0.566 177.218 176.600 0.085 0.000 0.982 131 E CA 1.000 57.272 56.400 -0.213 0.000 0.809 131 E CB 0.085 29.384 29.700 -0.669 0.000 0.756 131 E HN 0.508 nan 8.360 nan 0.000 0.459 132 E N 0.303 120.532 120.200 0.049 0.000 2.058 132 E HA -0.150 4.200 4.350 0.001 0.000 0.194 132 E C 2.127 178.815 176.600 0.146 0.000 0.997 132 E CA 1.975 58.432 56.400 0.096 0.000 0.801 132 E CB -0.094 29.644 29.700 0.063 0.000 0.746 132 E HN 0.374 nan 8.360 nan 0.000 0.450 133 T N 0.868 115.514 114.554 0.152 0.000 2.867 133 T HA -0.134 4.216 4.350 0.001 0.000 0.268 133 T C 1.464 176.278 174.700 0.189 0.000 1.057 133 T CA 0.750 62.975 62.100 0.209 0.000 1.136 133 T CB -0.312 68.673 68.868 0.194 0.000 0.874 133 T HN 0.159 nan 8.240 nan 0.000 0.466 134 F N 1.702 121.680 119.950 0.046 0.000 2.186 134 F HA 0.062 4.589 4.527 0.001 0.000 0.299 134 F C 1.732 177.580 175.800 0.080 0.000 1.090 134 F CA 0.976 58.993 58.000 0.028 0.000 1.307 134 F CB -0.380 38.647 39.000 0.044 0.000 1.019 134 F HN 0.049 nan 8.300 nan 0.000 0.489 135 L N -0.141 121.156 121.223 0.123 0.000 2.179 135 L HA -0.116 4.224 4.340 0.001 0.000 0.208 135 L C 2.387 179.295 176.870 0.064 0.000 1.096 135 L CA 0.958 55.843 54.840 0.074 0.000 0.779 135 L CB -0.623 41.544 42.059 0.181 0.000 0.922 135 L HN -0.025 nan 8.230 nan 0.000 0.443 136 K N 0.477 120.949 120.400 0.120 0.000 2.057 136 K HA -0.203 4.117 4.320 0.001 0.000 0.207 136 K C 2.108 178.819 176.600 0.184 0.000 1.049 136 K CA 1.362 57.771 56.287 0.204 0.000 0.931 136 K CB -0.108 32.598 32.500 0.344 0.000 0.714 136 K HN 0.179 nan 8.250 nan 0.000 0.440 137 K N -0.133 120.209 120.400 -0.095 0.000 2.211 137 K HA -0.202 4.119 4.320 0.001 0.000 0.204 137 K C 1.987 178.463 176.600 -0.207 0.000 1.047 137 K CA 1.316 57.356 56.287 -0.412 0.000 0.935 137 K CB -0.105 32.012 32.500 -0.638 0.000 0.728 137 K HN 0.234 nan 8.250 nan 0.000 0.452 138 Y N 0.828 120.905 120.300 -0.372 0.000 2.243 138 Y HA -0.071 4.479 4.550 0.001 0.000 0.293 138 Y C 1.589 177.274 175.900 -0.359 0.000 1.124 138 Y CA 0.975 58.783 58.100 -0.486 0.000 1.159 138 Y CB -0.009 37.938 38.460 -0.855 0.000 1.008 138 Y HN -0.110 nan 8.280 nan 0.000 0.527 139 L N -0.608 120.478 121.223 -0.228 0.000 2.046 139 L HA -0.243 4.097 4.340 0.001 0.000 0.208 139 L C 2.377 179.097 176.870 -0.250 0.000 1.077 139 L CA 1.985 56.656 54.840 -0.282 0.000 0.747 139 L CB -1.047 40.954 42.059 -0.097 0.000 0.896 139 L HN 0.351 nan 8.230 nan 0.000 0.432 140 Y N 0.972 121.160 120.300 -0.188 0.000 2.181 140 Y HA -0.239 4.312 4.550 0.001 0.000 0.288 140 Y C 2.554 178.349 175.900 -0.174 0.000 1.146 140 Y CA 1.680 59.715 58.100 -0.109 0.000 1.164 140 Y CB 0.004 38.544 38.460 0.134 0.000 0.982 140 Y HN 0.155 nan 8.280 nan 0.000 0.515 141 E N -0.170 119.855 120.200 -0.293 0.000 2.086 141 E HA -0.097 4.254 4.350 0.001 0.000 0.190 141 E C 2.242 178.623 176.600 -0.365 0.000 0.975 141 E CA 0.837 57.020 56.400 -0.362 0.000 0.813 141 E CB -0.108 29.468 29.700 -0.207 0.000 0.768 141 E HN 0.444 nan 8.360 nan 0.000 0.457 142 I N 1.665 121.937 120.570 -0.496 0.000 2.179 142 I HA -0.188 3.982 4.170 0.001 0.000 0.242 142 I C 2.466 178.402 176.117 -0.302 0.000 1.088 142 I CA 1.135 62.146 61.300 -0.480 0.000 1.357 142 I CB -1.613 35.846 38.000 -0.902 0.000 1.051 142 I HN -0.056 nan 8.210 nan 0.000 0.409 143 A N 1.439 124.026 122.820 -0.389 0.000 1.930 143 A HA -0.174 4.146 4.320 0.001 0.000 0.217 143 A C 2.328 179.790 177.584 -0.203 0.000 1.175 143 A CA 1.315 53.187 52.037 -0.274 0.000 0.627 143 A CB -0.572 18.246 19.000 -0.305 0.000 0.815 143 A HN 0.553 nan 8.150 nan 0.000 0.443 144 R N -0.905 119.413 120.500 -0.303 0.000 2.323 144 R HA 0.118 4.458 4.340 0.001 0.000 0.198 144 R C 1.199 177.380 176.300 -0.199 0.000 0.988 144 R CA 0.824 56.752 56.100 -0.286 0.000 1.041 144 R CB -0.182 29.842 30.300 -0.459 0.000 0.926 144 R HN 0.389 nan 8.270 nan 0.000 0.476 145 R N -0.161 120.249 120.500 -0.149 0.000 2.397 145 R HA 0.191 4.531 4.340 0.001 0.000 0.241 145 R C -0.159 175.913 176.300 -0.380 0.000 0.914 145 R CA 0.065 56.046 56.100 -0.199 0.000 1.071 145 R CB 0.589 30.794 30.300 -0.159 0.000 1.116 145 R HN 0.333 nan 8.270 nan 0.000 0.524 146 H N 0.276 119.333 119.070 -0.022 0.000 2.514 146 H HA 0.149 4.705 4.556 0.000 0.000 0.226 146 H C -2.087 173.286 175.328 0.075 0.000 1.421 146 H CA -1.485 54.621 56.048 0.095 0.000 1.394 146 H CB 1.468 31.401 29.762 0.285 0.000 1.701 146 H HN 0.013 nan 8.280 nan 0.000 0.515 147 P HA -0.105 nan 4.420 nan 0.000 0.239 147 P C 0.226 177.317 177.300 -0.349 0.000 1.184 147 P CA 0.947 63.943 63.100 -0.173 0.000 0.760 147 P CB -0.013 31.540 31.700 -0.244 0.000 0.884 148 Y N -2.282 118.052 120.300 0.057 0.000 2.660 148 Y HA 0.301 4.851 4.550 0.000 0.000 0.254 148 Y C 0.865 176.841 175.900 0.127 0.000 1.176 148 Y CA -1.146 56.989 58.100 0.058 0.000 1.195 148 Y CB -0.469 38.002 38.460 0.019 0.000 1.190 148 Y HN -0.223 nan 8.280 nan 0.000 0.535 149 F N 1.097 121.135 119.950 0.147 0.000 2.602 149 F HA -0.035 4.492 4.527 0.001 0.000 0.367 149 F C 0.325 176.244 175.800 0.199 0.000 1.126 149 F CA -0.706 57.382 58.000 0.145 0.000 1.321 149 F CB 0.238 39.266 39.000 0.046 0.000 1.094 149 F HN 0.087 nan 8.300 nan 0.000 0.594 150 Y N 6.478 126.939 120.300 0.269 0.000 2.587 150 Y HA 0.323 4.873 4.550 0.001 0.000 0.344 150 Y C 0.815 176.950 175.900 0.391 0.000 1.061 150 Y CA -0.786 57.477 58.100 0.272 0.000 1.370 150 Y CB 0.465 39.042 38.460 0.196 0.000 1.163 150 Y HN 0.712 nan 8.280 nan 0.000 0.527 151 A N 7.830 130.764 122.820 0.189 0.000 1.873 151 A HA -0.053 4.268 4.320 0.001 0.000 0.215 151 A C -0.400 177.137 177.584 -0.078 0.000 1.186 151 A CA 1.193 53.254 52.037 0.040 0.000 0.616 151 A CB -1.564 17.427 19.000 -0.015 0.000 0.823 151 A HN 0.638 nan 8.150 nan 0.000 0.442 152 P HA -0.181 nan 4.420 nan 0.000 0.216 152 P C 1.273 178.500 177.300 -0.121 0.000 1.153 152 P CA 1.360 64.312 63.100 -0.247 0.000 0.858 152 P CB -0.043 31.400 31.700 -0.428 0.000 0.789 153 E N -0.839 119.285 120.200 -0.128 0.000 2.077 153 E HA -0.156 4.194 4.350 0.001 0.000 0.193 153 E C 1.919 178.791 176.600 0.453 0.000 0.989 153 E CA 0.825 57.372 56.400 0.245 0.000 0.800 153 E CB -1.028 28.986 29.700 0.523 0.000 0.746 153 E HN 0.136 nan 8.360 nan 0.000 0.452 154 L N 1.047 122.501 121.223 0.386 0.000 2.042 154 L HA -0.157 4.184 4.340 0.001 0.000 0.210 154 L C 2.277 179.223 176.870 0.127 0.000 1.076 154 L CA 1.406 56.325 54.840 0.132 0.000 0.749 154 L CB -0.759 41.120 42.059 -0.300 0.000 0.893 154 L HN 0.095 nan 8.230 nan 0.000 0.432 155 L N -1.921 119.347 121.223 0.076 0.000 2.042 155 L HA -0.261 4.080 4.340 0.001 0.000 0.210 155 L C 2.483 179.421 176.870 0.115 0.000 1.076 155 L CA 1.468 56.347 54.840 0.065 0.000 0.749 155 L CB -0.875 41.199 42.059 0.025 0.000 0.893 155 L HN 0.288 nan 8.230 nan 0.000 0.432 156 F N 0.721 120.642 119.950 -0.047 0.000 2.102 156 F HA -0.201 4.327 4.527 0.001 0.000 0.298 156 F C 2.199 177.906 175.800 -0.154 0.000 1.105 156 F CA 1.205 59.115 58.000 -0.151 0.000 1.239 156 F CB -0.632 38.192 39.000 -0.293 0.000 0.991 156 F HN -0.134 nan 8.300 nan 0.000 0.474 157 F N 0.464 120.309 119.950 -0.174 0.000 2.202 157 F HA -0.167 4.360 4.527 0.000 0.000 0.301 157 F C 2.579 178.298 175.800 -0.136 0.000 1.082 157 F CA 1.178 59.052 58.000 -0.210 0.000 1.313 157 F CB -1.129 37.879 39.000 0.014 0.000 1.024 157 F HN 0.096 nan 8.300 nan 0.000 0.495 158 A N -0.084 122.812 122.820 0.127 0.000 1.902 158 A HA -0.232 4.088 4.320 0.001 0.000 0.217 158 A C 2.226 179.809 177.584 -0.001 0.000 1.181 158 A CA 1.827 53.901 52.037 0.062 0.000 0.623 158 A CB -0.694 18.369 19.000 0.106 0.000 0.818 158 A HN 0.342 nan 8.150 nan 0.000 0.443 159 K N -0.539 119.836 120.400 -0.041 0.000 2.009 159 K HA -0.157 4.163 4.320 0.001 0.000 0.210 159 K C 2.355 178.893 176.600 -0.104 0.000 1.049 159 K CA 1.490 57.750 56.287 -0.045 0.000 0.929 159 K CB -0.204 32.291 32.500 -0.008 0.000 0.714 159 K HN 0.398 nan 8.250 nan 0.000 0.440 160 R N -0.728 119.621 120.500 -0.252 0.000 2.081 160 R HA -0.177 4.163 4.340 0.001 0.000 0.235 160 R C 2.374 178.604 176.300 -0.117 0.000 1.131 160 R CA 1.696 57.655 56.100 -0.236 0.000 0.960 160 R CB -0.486 29.571 30.300 -0.405 0.000 0.856 160 R HN 0.355 nan 8.270 nan 0.000 0.436 161 Y N 2.001 122.165 120.300 -0.227 0.000 2.128 161 Y HA -0.292 4.259 4.550 0.001 0.000 0.284 161 Y C 2.441 178.301 175.900 -0.068 0.000 1.154 161 Y CA 1.821 59.780 58.100 -0.235 0.000 1.149 161 Y CB -0.135 37.932 38.460 -0.655 0.000 0.976 161 Y HN -0.109 nan 8.280 nan 0.000 0.505 162 K N 0.130 120.520 120.400 -0.017 0.000 1.991 162 K HA -0.238 4.082 4.320 0.001 0.000 0.212 162 K C 2.306 178.847 176.600 -0.098 0.000 1.049 162 K CA 1.603 57.875 56.287 -0.025 0.000 0.932 162 K CB -0.600 31.950 32.500 0.083 0.000 0.717 162 K HN 0.379 nan 8.250 nan 0.000 0.441 163 A N 1.051 123.826 122.820 -0.074 0.000 1.917 163 A HA -0.202 4.119 4.320 0.001 0.000 0.219 163 A C 2.350 179.841 177.584 -0.155 0.000 1.182 163 A CA 2.226 54.214 52.037 -0.081 0.000 0.633 163 A CB -1.004 17.956 19.000 -0.066 0.000 0.819 163 A HN 0.567 nan 8.150 nan 0.000 0.448 164 A N -1.205 121.474 122.820 -0.234 0.000 1.917 164 A HA -0.084 4.236 4.320 0.001 0.000 0.219 164 A C 1.966 179.246 177.584 -0.507 0.000 1.182 164 A CA 1.746 53.561 52.037 -0.370 0.000 0.633 164 A CB -0.755 17.955 19.000 -0.483 0.000 0.819 164 A HN 0.522 nan 8.150 nan 0.000 0.448 165 F N -0.575 119.042 119.950 -0.555 0.000 2.293 165 F HA -0.032 4.495 4.527 0.001 0.000 0.297 165 F C 2.692 178.169 175.800 -0.537 0.000 1.089 165 F CA 1.494 59.062 58.000 -0.721 0.000 1.377 165 F CB -0.699 37.469 39.000 -1.387 0.000 1.051 165 F HN 0.080 nan 8.300 nan 0.000 0.511 166 T N -0.648 113.772 114.554 -0.223 0.000 2.929 166 T HA -0.191 4.159 4.350 0.001 0.000 0.271 166 T C 1.821 176.537 174.700 0.027 0.000 1.085 166 T CA 1.571 63.690 62.100 0.032 0.000 1.125 166 T CB -0.130 68.790 68.868 0.086 0.000 0.874 166 T HN 0.440 nan 8.240 nan 0.000 0.494 167 E N -0.845 119.324 120.200 -0.051 0.000 2.094 167 E HA -0.031 4.319 4.350 0.001 0.000 0.193 167 E C 2.317 178.886 176.600 -0.050 0.000 0.950 167 E CA 0.530 56.906 56.400 -0.040 0.000 0.842 167 E CB -0.269 29.393 29.700 -0.063 0.000 0.816 167 E HN 0.383 nan 8.360 nan 0.000 0.465 168 c N 1.035 119.564 118.600 -0.119 0.000 2.413 168 c HA -0.158 4.413 4.570 0.001 0.000 0.276 168 c C 2.878 176.933 174.090 -0.057 0.000 1.236 168 c CA 0.735 56.990 56.329 -0.123 0.000 1.735 168 c CB -1.084 41.284 42.510 -0.236 0.000 2.031 168 c HN 0.665 nan 8.230 nan 0.000 0.474 169 c N 0.542 119.132 118.600 -0.016 0.000 2.410 169 c HA -0.162 4.409 4.570 0.001 0.000 0.281 169 c C 2.728 176.887 174.090 0.114 0.000 1.318 169 c CA 0.988 57.379 56.329 0.103 0.000 1.776 169 c CB -1.609 41.065 42.510 0.274 0.000 1.942 169 c HN 0.659 nan 8.230 nan 0.000 0.508 170 Q N 0.986 120.844 119.800 0.096 0.000 2.061 170 Q HA -0.056 4.284 4.340 0.001 0.000 0.204 170 Q C 1.390 177.401 176.000 0.019 0.000 0.984 170 Q CA 1.388 57.226 55.803 0.059 0.000 0.846 170 Q CB -0.387 28.395 28.738 0.072 0.000 0.902 170 Q HN 0.737 nan 8.270 nan 0.000 0.421 171 A N 0.504 123.326 122.820 0.003 0.000 2.346 171 A HA 0.386 4.706 4.320 0.001 0.000 0.252 171 A C 1.234 178.811 177.584 -0.011 0.000 1.089 171 A CA 0.475 52.507 52.037 -0.009 0.000 0.797 171 A CB 0.218 19.204 19.000 -0.022 0.000 1.047 171 A HN 0.341 nan 8.150 nan 0.000 0.494 172 A N -0.350 122.463 122.820 -0.012 0.000 2.019 172 A HA 0.005 4.325 4.320 0.001 0.000 0.219 172 A C 0.867 178.443 177.584 -0.014 0.000 1.164 172 A CA 1.801 53.832 52.037 -0.011 0.000 0.644 172 A CB -0.120 18.873 19.000 -0.010 0.000 0.805 172 A HN 0.726 nan 8.150 nan 0.000 0.449 173 D N -0.843 119.546 120.400 -0.018 0.000 2.432 173 D HA 0.310 4.951 4.640 0.001 0.000 0.265 173 D C 0.549 176.830 176.300 -0.031 0.000 1.160 173 D CA -0.251 53.736 54.000 -0.021 0.000 0.911 173 D CB 0.635 41.422 40.800 -0.021 0.000 1.052 173 D HN 0.215 nan 8.370 nan 0.000 0.508 174 K N 1.089 121.472 120.400 -0.029 0.000 2.147 174 K HA -0.097 4.223 4.320 0.001 0.000 0.205 174 K C 1.722 178.285 176.600 -0.062 0.000 1.049 174 K CA 1.246 57.508 56.287 -0.042 0.000 0.936 174 K CB 0.267 32.755 32.500 -0.021 0.000 0.722 174 K HN 0.300 nan 8.250 nan 0.000 0.446 175 A N 0.988 123.782 122.820 -0.044 0.000 2.021 175 A HA 0.099 4.420 4.320 0.001 0.000 0.216 175 A C 2.242 179.795 177.584 -0.052 0.000 1.163 175 A CA 1.209 53.219 52.037 -0.046 0.000 0.676 175 A CB -0.294 18.692 19.000 -0.024 0.000 0.818 175 A HN 0.281 nan 8.150 nan 0.000 0.453 176 A N -1.111 121.682 122.820 -0.045 0.000 1.930 176 A HA -0.107 4.213 4.320 0.001 0.000 0.215 176 A C 2.305 179.854 177.584 -0.057 0.000 1.176 176 A CA 1.411 53.423 52.037 -0.042 0.000 0.632 176 A CB -1.220 17.762 19.000 -0.031 0.000 0.819 176 A HN 0.752 nan 8.150 nan 0.000 0.445 177 c N -1.189 117.367 118.600 -0.072 0.000 2.476 177 c HA 0.035 4.605 4.570 0.001 0.000 0.278 177 c C 2.409 176.419 174.090 -0.134 0.000 1.274 177 c CA 1.348 57.622 56.329 -0.092 0.000 1.713 177 c CB -1.137 41.316 42.510 -0.096 0.000 2.039 177 c HN 0.523 nan 8.230 nan 0.000 0.484 178 L N 0.553 121.673 121.223 -0.171 0.000 2.127 178 L HA 0.188 4.529 4.340 0.001 0.000 0.203 178 L C 2.349 179.099 176.870 -0.201 0.000 1.080 178 L CA 1.660 56.339 54.840 -0.267 0.000 0.768 178 L CB -0.725 41.122 42.059 -0.353 0.000 0.924 178 L HN 0.349 nan 8.230 nan 0.000 0.444 179 L N 0.273 121.422 121.223 -0.123 0.000 2.017 179 L HA -0.116 4.225 4.340 0.001 0.000 0.208 179 L C -0.234 176.605 176.870 -0.052 0.000 1.073 179 L CA 1.200 55.996 54.840 -0.073 0.000 0.745 179 L CB -2.110 39.925 42.059 -0.041 0.000 0.894 179 L HN 0.256 nan 8.230 nan 0.000 0.432 180 P HA -0.167 nan 4.420 nan 0.000 0.218 180 P C 1.230 178.511 177.300 -0.032 0.000 1.149 180 P CA 1.458 64.540 63.100 -0.030 0.000 0.817 180 P CB -0.001 31.682 31.700 -0.028 0.000 0.785 181 K N -0.419 119.940 120.400 -0.068 0.000 2.062 181 K HA -0.000 4.320 4.320 0.001 0.000 0.205 181 K C 2.336 178.903 176.600 -0.054 0.000 1.051 181 K CA 0.959 57.201 56.287 -0.075 0.000 0.941 181 K CB -0.578 31.839 32.500 -0.139 0.000 0.719 181 K HN 0.138 nan 8.250 nan 0.000 0.440 182 L N 1.224 122.401 121.223 -0.077 0.000 2.056 182 L HA -0.197 4.143 4.340 0.001 0.000 0.207 182 L C 1.887 178.785 176.870 0.048 0.000 1.078 182 L CA 1.028 55.867 54.840 -0.001 0.000 0.749 182 L CB -0.429 41.624 42.059 -0.011 0.000 0.901 182 L HN 0.175 nan 8.230 nan 0.000 0.433 183 D N -0.127 120.288 120.400 0.026 0.000 2.158 183 D HA -0.251 4.390 4.640 0.001 0.000 0.197 183 D C 2.004 178.335 176.300 0.052 0.000 0.995 183 D CA 1.319 55.341 54.000 0.038 0.000 0.846 183 D CB 0.062 40.877 40.800 0.025 0.000 0.941 183 D HN 0.428 nan 8.370 nan 0.000 0.456 184 E N 0.146 120.377 120.200 0.052 0.000 2.046 184 E HA -0.097 4.253 4.350 0.001 0.000 0.190 184 E C 2.313 178.983 176.600 0.116 0.000 0.982 184 E CA 0.407 56.853 56.400 0.077 0.000 0.800 184 E CB -0.020 29.720 29.700 0.066 0.000 0.756 184 E HN 0.206 nan 8.360 nan 0.000 0.449 185 L N 0.766 122.065 121.223 0.126 0.000 2.141 185 L HA -0.114 4.226 4.340 0.001 0.000 0.209 185 L C 2.926 179.831 176.870 0.058 0.000 1.094 185 L CA 0.755 55.696 54.840 0.167 0.000 0.763 185 L CB -0.563 41.626 42.059 0.216 0.000 0.908 185 L HN 0.158 nan 8.230 nan 0.000 0.437 186 R N 0.586 121.125 120.500 0.066 0.000 2.103 186 R HA -0.205 4.136 4.340 0.001 0.000 0.242 186 R C 1.544 177.853 176.300 0.015 0.000 1.142 186 R CA 2.132 58.251 56.100 0.032 0.000 0.960 186 R CB -0.282 30.050 30.300 0.053 0.000 0.858 186 R HN 0.373 nan 8.270 nan 0.000 0.439 187 D N 0.064 120.493 120.400 0.048 0.000 2.149 187 D HA -0.062 4.578 4.640 0.001 0.000 0.206 187 D C 1.825 178.170 176.300 0.075 0.000 0.967 187 D CA 0.866 54.903 54.000 0.061 0.000 0.848 187 D CB -0.090 40.754 40.800 0.073 0.000 0.998 187 D HN 0.371 nan 8.370 nan 0.000 0.474 188 E N 0.503 120.777 120.200 0.123 0.000 2.153 188 E HA -0.091 4.259 4.350 0.001 0.000 0.194 188 E C 2.047 178.674 176.600 0.043 0.000 0.988 188 E CA 0.836 57.364 56.400 0.213 0.000 0.811 188 E CB -0.103 29.871 29.700 0.457 0.000 0.746 188 E HN 0.221 nan 8.360 nan 0.000 0.466 189 G N 1.891 110.553 108.800 -0.229 0.000 2.480 189 G HA2 -0.303 3.657 3.960 0.001 0.000 0.216 189 G HA3 -0.303 3.657 3.960 0.001 0.000 0.216 189 G C 1.430 176.202 174.900 -0.213 0.000 1.200 189 G CA 0.820 45.666 45.100 -0.422 0.000 0.782 189 G HN 0.124 nan 8.290 nan 0.000 0.554 190 K N 0.631 120.967 120.400 -0.106 0.000 2.063 190 K HA -0.019 4.301 4.320 0.001 0.000 0.208 190 K C 2.960 179.554 176.600 -0.010 0.000 1.048 190 K CA 1.046 57.322 56.287 -0.019 0.000 0.928 190 K CB -0.265 32.263 32.500 0.046 0.000 0.713 190 K HN 0.281 nan 8.250 nan 0.000 0.442 191 A N 1.029 123.865 122.820 0.026 0.000 1.858 191 A HA -0.219 4.101 4.320 0.001 0.000 0.216 191 A C 2.257 179.857 177.584 0.027 0.000 1.190 191 A CA 2.185 54.264 52.037 0.071 0.000 0.617 191 A CB -0.865 18.218 19.000 0.138 0.000 0.827 191 A HN 0.317 nan 8.150 nan 0.000 0.443 192 S N -0.647 115.061 115.700 0.013 0.000 2.353 192 S HA -0.187 4.283 4.470 0.001 0.000 0.222 192 S C 2.352 176.786 174.600 -0.276 0.000 1.035 192 S CA 2.120 60.305 58.200 -0.025 0.000 1.025 192 S CB -0.652 62.622 63.200 0.124 0.000 0.902 192 S HN 0.673 nan 8.310 nan 0.000 0.440 193 S N 1.071 116.453 115.700 -0.531 0.000 2.369 193 S HA -0.171 4.299 4.470 0.001 0.000 0.225 193 S C 2.124 176.617 174.600 -0.178 0.000 1.043 193 S CA 1.987 59.888 58.200 -0.498 0.000 1.074 193 S CB -1.175 61.901 63.200 -0.207 0.000 0.962 193 S HN 0.791 nan 8.310 nan 0.000 0.433 194 A N 1.265 124.027 122.820 -0.096 0.000 1.859 194 A HA -0.190 4.130 4.320 0.001 0.000 0.217 194 A C 2.144 179.663 177.584 -0.108 0.000 1.198 194 A CA 2.126 54.115 52.037 -0.079 0.000 0.629 194 A CB -0.973 17.986 19.000 -0.069 0.000 0.830 194 A HN 0.661 nan 8.150 nan 0.000 0.446 195 K N -1.328 119.018 120.400 -0.090 0.000 2.059 195 K HA -0.288 4.032 4.320 0.001 0.000 0.212 195 K C 2.406 178.912 176.600 -0.156 0.000 1.050 195 K CA 2.075 58.304 56.287 -0.097 0.000 0.927 195 K CB -0.159 32.324 32.500 -0.029 0.000 0.714 195 K HN 0.522 nan 8.250 nan 0.000 0.447 196 Q N 0.659 120.369 119.800 -0.150 0.000 2.167 196 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 196 Q C 1.821 177.729 176.000 -0.153 0.000 0.970 196 Q CA 1.420 57.124 55.803 -0.164 0.000 0.855 196 Q CB -0.027 28.649 28.738 -0.102 0.000 0.911 196 Q HN 0.060 nan 8.270 nan 0.000 0.438 197 R N -0.552 119.866 120.500 -0.137 0.000 2.148 197 R HA -0.054 4.286 4.340 0.001 0.000 0.227 197 R C 1.785 177.965 176.300 -0.199 0.000 1.103 197 R CA 0.851 56.848 56.100 -0.171 0.000 0.983 197 R CB -0.620 29.600 30.300 -0.135 0.000 0.874 197 R HN 0.388 nan 8.270 nan 0.000 0.451 198 L N 0.709 121.819 121.223 -0.190 0.000 2.093 198 L HA -0.082 4.258 4.340 0.001 0.000 0.208 198 L C 1.446 178.171 176.870 -0.241 0.000 1.085 198 L CA 1.849 56.569 54.840 -0.200 0.000 0.755 198 L CB -0.294 41.638 42.059 -0.211 0.000 0.904 198 L HN 0.097 nan 8.230 nan 0.000 0.435 199 K N -1.352 118.871 120.400 -0.295 0.000 2.025 199 K HA -0.115 4.206 4.320 0.001 0.000 0.207 199 K C 2.077 178.537 176.600 -0.234 0.000 1.049 199 K CA 1.626 57.723 56.287 -0.317 0.000 0.933 199 K CB -0.506 31.726 32.500 -0.447 0.000 0.714 199 K HN 0.415 nan 8.250 nan 0.000 0.438 200 c N 0.821 119.298 118.600 -0.206 0.000 2.457 200 c HA 0.016 4.586 4.570 0.001 0.000 0.278 200 c C 2.913 176.912 174.090 -0.152 0.000 1.309 200 c CA 0.475 56.707 56.329 -0.162 0.000 1.735 200 c CB -0.905 41.506 42.510 -0.166 0.000 1.992 200 c HN 0.503 nan 8.230 nan 0.000 0.493 201 A N 1.186 123.907 122.820 -0.165 0.000 1.883 201 A HA -0.183 4.137 4.320 0.001 0.000 0.217 201 A C 2.277 179.903 177.584 0.070 0.000 1.186 201 A CA 2.455 54.449 52.037 -0.071 0.000 0.624 201 A CB -0.959 18.012 19.000 -0.049 0.000 0.822 201 A HN 0.545 nan 8.150 nan 0.000 0.444 202 S N -0.099 115.634 115.700 0.055 0.000 2.359 202 S HA -0.169 4.301 4.470 0.001 0.000 0.223 202 S C 1.883 176.589 174.600 0.176 0.000 1.039 202 S CA 1.709 59.999 58.200 0.150 0.000 1.042 202 S CB -0.562 62.653 63.200 0.024 0.000 0.915 202 S HN 0.482 nan 8.310 nan 0.000 0.439 203 L N 1.085 122.339 121.223 0.052 0.000 1.994 203 L HA -0.174 4.167 4.340 0.001 0.000 0.208 203 L C 2.815 179.707 176.870 0.037 0.000 1.071 203 L CA 1.420 56.275 54.840 0.025 0.000 0.745 203 L CB -0.529 41.474 42.059 -0.093 0.000 0.892 203 L HN 0.336 nan 8.230 nan 0.000 0.431 204 Q N -0.590 119.217 119.800 0.012 0.000 2.123 204 Q HA -0.209 4.132 4.340 0.001 0.000 0.199 204 Q C 2.025 178.001 176.000 -0.039 0.000 0.966 204 Q CA 1.247 57.052 55.803 0.005 0.000 0.845 204 Q CB 0.076 28.818 28.738 0.007 0.000 0.907 204 Q HN 0.197 nan 8.270 nan 0.000 0.439 205 K N -0.855 119.502 120.400 -0.071 0.000 2.334 205 K HA 0.070 4.391 4.320 0.001 0.000 0.195 205 K C 0.543 176.832 176.600 -0.519 0.000 1.045 205 K CA 0.599 56.712 56.287 -0.292 0.000 1.004 205 K CB 0.515 32.809 32.500 -0.343 0.000 0.837 205 K HN 0.040 nan 8.250 nan 0.000 0.510 206 F N -1.094 118.858 119.950 0.003 0.000 2.831 206 F HA 0.389 4.916 4.527 0.000 0.000 0.334 206 F C 0.493 176.311 175.800 0.030 0.000 1.071 206 F CA 0.169 58.178 58.000 0.016 0.000 1.172 206 F CB 1.654 40.664 39.000 0.015 0.000 1.054 206 F HN 0.018 nan 8.300 nan 0.000 0.572 207 G N 1.415 110.318 108.800 0.173 0.000 2.629 207 G HA2 -0.159 3.802 3.960 0.001 0.000 0.686 207 G HA3 -0.159 3.802 3.960 0.001 0.000 0.686 207 G C 0.506 175.494 174.900 0.147 0.000 1.232 207 G CA -0.204 44.971 45.100 0.125 0.000 0.803 207 G HN 0.369 nan 8.290 nan 0.000 0.638 208 E N 0.476 120.748 120.200 0.121 0.000 2.110 208 E HA -0.179 4.171 4.350 0.001 0.000 0.193 208 E C 2.181 178.901 176.600 0.199 0.000 0.988 208 E CA 1.198 57.694 56.400 0.159 0.000 0.804 208 E CB -0.025 29.744 29.700 0.116 0.000 0.745 208 E HN 0.607 nan 8.360 nan 0.000 0.458 209 R N 0.565 121.156 120.500 0.152 0.000 2.139 209 R HA -0.190 4.150 4.340 0.001 0.000 0.243 209 R C 2.275 178.666 176.300 0.150 0.000 1.145 209 R CA 1.561 57.746 56.100 0.142 0.000 0.976 209 R CB -0.362 30.007 30.300 0.116 0.000 0.866 209 R HN 0.363 nan 8.270 nan 0.000 0.449 210 A N -0.219 122.699 122.820 0.164 0.000 1.897 210 A HA -0.148 4.172 4.320 0.001 0.000 0.215 210 A C 1.923 179.613 177.584 0.177 0.000 1.181 210 A CA 1.000 53.123 52.037 0.143 0.000 0.620 210 A CB -0.627 18.457 19.000 0.140 0.000 0.821 210 A HN 0.474 nan 8.150 nan 0.000 0.443 211 F N 0.710 120.709 119.950 0.081 0.000 2.146 211 F HA -0.089 4.438 4.527 0.000 0.000 0.298 211 F C 2.213 178.124 175.800 0.184 0.000 1.096 211 F CA 1.849 59.906 58.000 0.095 0.000 1.275 211 F CB -0.113 38.904 39.000 0.029 0.000 1.008 211 F HN 0.062 nan 8.300 nan 0.000 0.480 212 K N 0.278 120.825 120.400 0.245 0.000 2.034 212 K HA -0.291 4.029 4.320 0.001 0.000 0.214 212 K C 2.261 178.902 176.600 0.067 0.000 1.051 212 K CA 1.652 58.027 56.287 0.147 0.000 0.931 212 K CB -0.845 31.748 32.500 0.155 0.000 0.715 212 K HN 0.385 nan 8.250 nan 0.000 0.446 213 A N 0.662 123.534 122.820 0.088 0.000 1.883 213 A HA -0.221 4.100 4.320 0.001 0.000 0.217 213 A C 1.973 179.569 177.584 0.020 0.000 1.186 213 A CA 1.712 53.787 52.037 0.064 0.000 0.624 213 A CB -1.114 17.929 19.000 0.071 0.000 0.822 213 A HN 0.657 nan 8.150 nan 0.000 0.444 214 W N 0.556 121.742 121.300 -0.189 0.000 2.338 214 W HA -0.135 4.525 4.660 0.000 0.000 0.304 214 W C 2.364 178.705 176.519 -0.296 0.000 1.212 214 W CA 2.390 59.584 57.345 -0.253 0.000 1.264 214 W CB -0.089 29.177 29.460 -0.323 0.000 1.142 214 W HN 0.354 nan 8.180 nan 0.000 0.512 215 A N -0.398 122.323 122.820 -0.165 0.000 1.929 215 A HA -0.094 4.226 4.320 0.001 0.000 0.216 215 A C 1.981 179.417 177.584 -0.247 0.000 1.176 215 A CA 1.814 53.673 52.037 -0.295 0.000 0.628 215 A CB -1.130 17.788 19.000 -0.138 0.000 0.816 215 A HN 0.173 nan 8.150 nan 0.000 0.444 216 V N 0.151 119.990 119.914 -0.124 0.000 2.233 216 V HA -0.317 3.804 4.120 0.001 0.000 0.247 216 V C 3.099 179.138 176.094 -0.092 0.000 1.050 216 V CA 2.161 64.436 62.300 -0.040 0.000 1.010 216 V CB -1.377 30.483 31.823 0.062 0.000 0.637 216 V HN 0.619 nan 8.190 nan 0.000 0.444 217 A N -0.324 122.392 122.820 -0.173 0.000 1.884 217 A HA -0.300 4.021 4.320 0.001 0.000 0.219 217 A C 2.391 179.761 177.584 -0.358 0.000 1.197 217 A CA 2.270 54.163 52.037 -0.240 0.000 0.637 217 A CB -0.624 18.204 19.000 -0.286 0.000 0.827 217 A HN 0.376 nan 8.150 nan 0.000 0.450 218 R N -0.416 119.717 120.500 -0.613 0.000 2.066 218 R HA 0.014 4.355 4.340 0.001 0.000 0.232 218 R C 2.102 178.119 176.300 -0.472 0.000 1.131 218 R CA 1.540 57.229 56.100 -0.685 0.000 0.955 218 R CB -0.902 28.677 30.300 -1.201 0.000 0.851 218 R HN 0.627 nan 8.270 nan 0.000 0.432 219 L N 0.048 121.051 121.223 -0.367 0.000 2.156 219 L HA -0.066 4.274 4.340 0.001 0.000 0.208 219 L C 2.285 179.042 176.870 -0.189 0.000 1.095 219 L CA 0.864 55.528 54.840 -0.293 0.000 0.770 219 L CB -0.235 41.816 42.059 -0.013 0.000 0.914 219 L HN 0.079 nan 8.230 nan 0.000 0.439 220 S N -0.605 115.055 115.700 -0.067 0.000 2.371 220 S HA -0.169 4.301 4.470 0.001 0.000 0.224 220 S C 1.909 176.460 174.600 -0.080 0.000 1.029 220 S CA 0.918 59.151 58.200 0.056 0.000 0.978 220 S CB -0.145 63.143 63.200 0.146 0.000 0.833 220 S HN 0.413 nan 8.310 nan 0.000 0.466 221 Q N 0.815 120.515 119.800 -0.166 0.000 2.045 221 Q HA -0.181 4.159 4.340 0.001 0.000 0.206 221 Q C 2.437 178.302 176.000 -0.226 0.000 0.991 221 Q CA 1.558 57.248 55.803 -0.188 0.000 0.851 221 Q CB -0.203 28.410 28.738 -0.208 0.000 0.911 221 Q HN 0.401 nan 8.270 nan 0.000 0.418 222 R N -0.266 120.012 120.500 -0.370 0.000 2.081 222 R HA -0.106 4.234 4.340 0.001 0.000 0.235 222 R C 0.063 176.100 176.300 -0.438 0.000 1.131 222 R CA 1.094 56.861 56.100 -0.554 0.000 0.960 222 R CB 0.183 29.877 30.300 -1.011 0.000 0.856 222 R HN 0.086 nan 8.270 nan 0.000 0.436 223 F N 0.735 120.674 119.950 -0.017 0.000 2.532 223 F HA 0.383 4.910 4.527 0.000 0.000 0.313 223 F C -1.825 173.996 175.800 0.035 0.000 1.301 223 F CA -3.074 54.932 58.000 0.009 0.000 1.154 223 F CB 1.432 40.447 39.000 0.026 0.000 1.335 223 F HN 0.002 nan 8.300 nan 0.000 0.542 224 P HA -0.169 nan 4.420 nan 0.000 0.220 224 P C 1.057 178.410 177.300 0.088 0.000 1.148 224 P CA 1.388 64.518 63.100 0.049 0.000 0.803 224 P CB 0.333 32.008 31.700 -0.041 0.000 0.782 225 K N -0.398 120.065 120.400 0.104 0.000 2.366 225 K HA 0.164 4.484 4.320 0.001 0.000 0.198 225 K C 1.180 177.857 176.600 0.128 0.000 1.044 225 K CA 0.089 56.429 56.287 0.089 0.000 0.973 225 K CB -0.136 32.397 32.500 0.055 0.000 0.767 225 K HN 0.076 nan 8.250 nan 0.000 0.475 226 A N 2.426 125.352 122.820 0.175 0.000 2.462 226 A HA 0.038 4.358 4.320 0.001 0.000 0.243 226 A C 0.107 177.835 177.584 0.240 0.000 1.076 226 A CA -0.156 51.980 52.037 0.166 0.000 0.773 226 A CB 0.218 19.314 19.000 0.161 0.000 1.010 226 A HN 0.158 nan 8.150 nan 0.000 0.493 227 E N 0.634 120.914 120.200 0.134 0.000 2.392 227 E HA 0.091 4.441 4.350 0.001 0.000 0.256 227 E C 0.307 176.825 176.600 -0.136 0.000 1.145 227 E CA -0.235 56.224 56.400 0.097 0.000 0.929 227 E CB 0.372 30.116 29.700 0.073 0.000 0.998 227 E HN 0.671 nan 8.360 nan 0.000 0.442 228 F N 1.989 121.620 119.950 -0.532 0.000 2.095 228 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 228 F C 2.109 177.731 175.800 -0.296 0.000 1.104 228 F CA 2.044 59.606 58.000 -0.730 0.000 1.232 228 F CB -0.432 38.235 39.000 -0.555 0.000 0.987 228 F HN 0.569 nan 8.300 nan 0.000 0.475 229 A N -0.554 122.181 122.820 -0.142 0.000 1.978 229 A HA -0.251 4.070 4.320 0.001 0.000 0.220 229 A C 2.061 179.541 177.584 -0.175 0.000 1.170 229 A CA 1.962 53.909 52.037 -0.150 0.000 0.636 229 A CB -0.862 18.134 19.000 -0.007 0.000 0.810 229 A HN 0.523 nan 8.150 nan 0.000 0.448 230 E N -0.364 119.758 120.200 -0.130 0.000 2.028 230 E HA -0.075 4.276 4.350 0.001 0.000 0.190 230 E C 1.803 178.348 176.600 -0.093 0.000 0.984 230 E CA 1.380 57.741 56.400 -0.064 0.000 0.800 230 E CB -0.280 29.412 29.700 -0.013 0.000 0.758 230 E HN 0.209 nan 8.360 nan 0.000 0.448 231 V N 0.639 120.463 119.914 -0.150 0.000 2.490 231 V HA -0.243 3.877 4.120 0.001 0.000 0.250 231 V C 2.246 178.216 176.094 -0.206 0.000 1.061 231 V CA 1.774 64.011 62.300 -0.105 0.000 1.064 231 V CB -0.591 31.193 31.823 -0.064 0.000 0.670 231 V HN 0.249 nan 8.190 nan 0.000 0.461 232 S N -0.281 115.166 115.700 -0.422 0.000 2.359 232 S HA -0.275 4.196 4.470 0.001 0.000 0.223 232 S C 2.057 176.555 174.600 -0.169 0.000 1.039 232 S CA 1.710 59.688 58.200 -0.371 0.000 1.042 232 S CB -0.377 62.527 63.200 -0.493 0.000 0.915 232 S HN 0.504 nan 8.310 nan 0.000 0.439 233 K N 1.326 121.639 120.400 -0.145 0.000 2.001 233 K HA -0.100 4.221 4.320 0.001 0.000 0.214 233 K C 2.135 178.692 176.600 -0.072 0.000 1.050 233 K CA 1.407 57.627 56.287 -0.112 0.000 0.934 233 K CB -0.698 31.728 32.500 -0.124 0.000 0.718 233 K HN 0.337 nan 8.250 nan 0.000 0.443 234 L N 0.669 121.880 121.223 -0.020 0.000 2.043 234 L HA -0.225 4.116 4.340 0.001 0.000 0.212 234 L C 2.608 179.529 176.870 0.084 0.000 1.075 234 L CA 1.099 55.974 54.840 0.059 0.000 0.752 234 L CB -0.574 41.563 42.059 0.129 0.000 0.891 234 L HN 0.020 nan 8.230 nan 0.000 0.432 235 V N -0.208 119.735 119.914 0.049 0.000 2.255 235 V HA -0.321 3.799 4.120 0.001 0.000 0.247 235 V C 2.586 178.748 176.094 0.113 0.000 1.051 235 V CA 2.522 64.868 62.300 0.078 0.000 1.018 235 V CB -0.724 31.108 31.823 0.015 0.000 0.641 235 V HN 0.526 nan 8.190 nan 0.000 0.445 236 T N -0.543 114.041 114.554 0.050 0.000 2.759 236 T HA -0.204 4.146 4.350 0.001 0.000 0.269 236 T C 1.556 176.299 174.700 0.070 0.000 1.042 236 T CA 1.746 63.878 62.100 0.053 0.000 1.140 236 T CB -0.354 68.514 68.868 -0.000 0.000 0.864 236 T HN 0.478 nan 8.240 nan 0.000 0.455 237 D N 0.502 120.933 120.400 0.052 0.000 2.162 237 D HA 0.062 4.702 4.640 0.001 0.000 0.203 237 D C 1.901 178.280 176.300 0.133 0.000 0.967 237 D CA 0.280 54.314 54.000 0.057 0.000 0.840 237 D CB -0.379 40.423 40.800 0.004 0.000 0.972 237 D HN 0.163 nan 8.370 nan 0.000 0.482 238 L N 0.554 121.903 121.223 0.210 0.000 2.156 238 L HA -0.061 4.280 4.340 0.001 0.000 0.208 238 L C 2.030 179.191 176.870 0.484 0.000 1.095 238 L CA 1.437 56.487 54.840 0.349 0.000 0.770 238 L CB -0.613 41.698 42.059 0.420 0.000 0.914 238 L HN -0.056 nan 8.230 nan 0.000 0.439 239 T N -0.895 113.929 114.554 0.449 0.000 2.788 239 T HA -0.215 4.135 4.350 0.001 0.000 0.268 239 T C 1.922 176.697 174.700 0.126 0.000 1.044 239 T CA 1.562 63.894 62.100 0.386 0.000 1.139 239 T CB -0.102 68.988 68.868 0.370 0.000 0.867 239 T HN 0.280 nan 8.240 nan 0.000 0.454 240 K N 0.654 121.122 120.400 0.113 0.000 2.025 240 K HA -0.049 4.272 4.320 0.001 0.000 0.207 240 K C 2.256 178.879 176.600 0.039 0.000 1.049 240 K CA 0.811 57.133 56.287 0.057 0.000 0.933 240 K CB -0.286 32.245 32.500 0.051 0.000 0.714 240 K HN 0.100 nan 8.250 nan 0.000 0.438 241 V N 1.247 121.186 119.914 0.043 0.000 2.252 241 V HA -0.302 3.819 4.120 0.001 0.000 0.249 241 V C 2.249 178.294 176.094 -0.080 0.000 1.056 241 V CA 1.956 64.246 62.300 -0.016 0.000 1.022 241 V CB -0.611 31.184 31.823 -0.045 0.000 0.641 241 V HN 0.450 nan 8.190 nan 0.000 0.445 242 H N -0.738 118.305 119.070 -0.044 0.000 2.482 242 H HA -0.018 4.538 4.556 0.000 0.000 0.286 242 H C 2.438 177.647 175.328 -0.200 0.000 1.017 242 H CA 1.581 57.514 56.048 -0.192 0.000 1.322 242 H CB -0.181 29.283 29.762 -0.498 0.000 1.426 242 H HN 0.410 nan 8.280 nan 0.000 0.546 243 T N 0.835 115.340 114.554 -0.083 0.000 2.833 243 T HA -0.099 4.251 4.350 0.001 0.000 0.269 243 T C 1.824 176.559 174.700 0.058 0.000 1.054 243 T CA 1.143 63.215 62.100 -0.047 0.000 1.135 243 T CB 0.087 68.926 68.868 -0.049 0.000 0.869 243 T HN 0.499 nan 8.240 nan 0.000 0.466 244 E N 0.001 120.244 120.200 0.071 0.000 2.051 244 E HA -0.045 4.305 4.350 0.001 0.000 0.189 244 E C 2.463 179.154 176.600 0.152 0.000 0.979 244 E CA 0.798 57.276 56.400 0.129 0.000 0.803 244 E CB -0.226 29.531 29.700 0.095 0.000 0.761 244 E HN 0.362 nan 8.360 nan 0.000 0.451 245 c N 0.415 119.092 118.600 0.128 0.000 2.425 245 c HA -0.136 4.434 4.570 0.001 0.000 0.277 245 c C 2.711 176.898 174.090 0.160 0.000 1.280 245 c CA 0.444 56.869 56.329 0.160 0.000 1.744 245 c CB -0.645 42.019 42.510 0.258 0.000 1.989 245 c HN 0.598 nan 8.230 nan 0.000 0.491 246 c N -1.690 117.005 118.600 0.158 0.000 2.500 246 c HA -0.024 4.547 4.570 0.001 0.000 0.273 246 c C 1.788 176.015 174.090 0.229 0.000 1.428 246 c CA 0.378 56.822 56.329 0.192 0.000 1.766 246 c CB -1.783 40.791 42.510 0.106 0.000 1.817 246 c HN 0.684 nan 8.230 nan 0.000 0.543 247 H N -0.281 118.855 119.070 0.109 0.000 2.524 247 H HA 0.254 4.811 4.556 0.001 0.000 0.297 247 H C 1.561 176.983 175.328 0.157 0.000 1.115 247 H CA 0.546 56.672 56.048 0.131 0.000 1.027 247 H CB -0.466 29.375 29.762 0.131 0.000 1.591 247 H HN 0.460 nan 8.280 nan 0.000 0.543 248 G N 1.593 110.392 108.800 -0.002 0.000 2.228 248 G HA2 -0.282 3.679 3.960 0.001 0.000 0.270 248 G HA3 -0.282 3.679 3.960 0.001 0.000 0.270 248 G C 0.146 175.108 174.900 0.104 0.000 0.976 248 G CA 0.595 45.656 45.100 -0.065 0.000 0.636 248 G HN 0.549 nan 8.290 nan 0.000 0.542 249 D N 1.051 121.566 120.400 0.191 0.000 2.619 249 D HA 0.357 4.997 4.640 0.001 0.000 0.224 249 D C 1.912 178.285 176.300 0.122 0.000 1.133 249 D CA -0.211 53.911 54.000 0.203 0.000 1.017 249 D CB 0.129 41.059 40.800 0.217 0.000 1.077 249 D HN 0.357 nan 8.370 nan 0.000 0.503 250 L N -0.124 121.149 121.223 0.082 0.000 2.179 250 L HA -0.043 4.297 4.340 0.001 0.000 0.208 250 L C 2.301 179.178 176.870 0.012 0.000 1.096 250 L CA 0.497 55.350 54.840 0.022 0.000 0.779 250 L CB -0.112 41.914 42.059 -0.055 0.000 0.922 250 L HN 0.237 nan 8.230 nan 0.000 0.443 251 L N 0.144 121.390 121.223 0.038 0.000 2.005 251 L HA -0.161 4.180 4.340 0.001 0.000 0.207 251 L C 2.854 179.757 176.870 0.054 0.000 1.072 251 L CA 1.233 56.094 54.840 0.035 0.000 0.744 251 L CB -0.611 41.499 42.059 0.086 0.000 0.895 251 L HN 0.382 nan 8.230 nan 0.000 0.433 252 E N -0.136 120.110 120.200 0.076 0.000 2.208 252 E HA -0.233 4.118 4.350 0.001 0.000 0.193 252 E C 2.311 178.947 176.600 0.060 0.000 0.988 252 E CA 1.369 57.815 56.400 0.076 0.000 0.828 252 E CB -0.995 28.754 29.700 0.082 0.000 0.763 252 E HN 0.541 nan 8.360 nan 0.000 0.478 253 c N 1.633 120.268 118.600 0.058 0.000 2.436 253 c HA 0.104 4.674 4.570 0.001 0.000 0.277 253 c C 3.062 177.168 174.090 0.027 0.000 1.241 253 c CA 1.563 57.924 56.329 0.053 0.000 1.721 253 c CB -1.034 41.520 42.510 0.074 0.000 2.043 253 c HN 0.547 nan 8.230 nan 0.000 0.472 254 A N -0.299 122.522 122.820 0.003 0.000 1.933 254 A HA -0.154 4.167 4.320 0.001 0.000 0.218 254 A C 2.001 179.579 177.584 -0.010 0.000 1.175 254 A CA 2.227 54.247 52.037 -0.028 0.000 0.628 254 A CB -0.796 18.177 19.000 -0.045 0.000 0.814 254 A HN 0.687 nan 8.150 nan 0.000 0.444 255 D N -0.229 120.175 120.400 0.006 0.000 2.137 255 D HA -0.098 4.543 4.640 0.001 0.000 0.202 255 D C 1.179 177.494 176.300 0.025 0.000 0.970 255 D CA 1.065 55.070 54.000 0.009 0.000 0.837 255 D CB -0.191 40.612 40.800 0.005 0.000 0.981 255 D HN 0.307 nan 8.370 nan 0.000 0.475 256 D N -0.164 120.258 120.400 0.036 0.000 2.178 256 D HA -0.113 4.528 4.640 0.001 0.000 0.202 256 D C 2.042 178.368 176.300 0.044 0.000 0.974 256 D CA 0.434 54.460 54.000 0.043 0.000 0.841 256 D CB -0.108 40.719 40.800 0.046 0.000 0.953 256 D HN 0.238 nan 8.370 nan 0.000 0.478 257 R N 0.703 121.226 120.500 0.039 0.000 2.066 257 R HA -0.076 4.264 4.340 0.001 0.000 0.232 257 R C 2.120 178.446 176.300 0.044 0.000 1.131 257 R CA 1.413 57.542 56.100 0.049 0.000 0.955 257 R CB -0.121 30.199 30.300 0.033 0.000 0.851 257 R HN 0.070 nan 8.270 nan 0.000 0.432 258 A N 1.399 124.234 122.820 0.024 0.000 1.865 258 A HA -0.221 4.099 4.320 0.001 0.000 0.217 258 A C 1.714 179.321 177.584 0.039 0.000 1.191 258 A CA 2.008 54.058 52.037 0.021 0.000 0.623 258 A CB -0.792 18.212 19.000 0.007 0.000 0.826 258 A HN 0.420 nan 8.150 nan 0.000 0.444 259 D N -0.489 119.937 120.400 0.043 0.000 2.133 259 D HA -0.183 4.458 4.640 0.001 0.000 0.192 259 D C 1.815 178.168 176.300 0.089 0.000 1.001 259 D CA 1.627 55.663 54.000 0.059 0.000 0.844 259 D CB -0.495 40.335 40.800 0.051 0.000 0.944 259 D HN 0.351 nan 8.370 nan 0.000 0.447 260 L N 0.730 122.004 121.223 0.085 0.000 2.046 260 L HA -0.060 4.280 4.340 0.001 0.000 0.208 260 L C 2.099 179.053 176.870 0.140 0.000 1.077 260 L CA 1.965 56.876 54.840 0.118 0.000 0.747 260 L CB -0.959 41.165 42.059 0.108 0.000 0.896 260 L HN -0.005 nan 8.230 nan 0.000 0.432 261 A N -0.578 122.300 122.820 0.095 0.000 1.908 261 A HA -0.280 4.040 4.320 0.001 0.000 0.218 261 A C 2.471 180.087 177.584 0.053 0.000 1.181 261 A CA 2.049 54.127 52.037 0.068 0.000 0.627 261 A CB -0.645 18.380 19.000 0.041 0.000 0.818 261 A HN 0.514 nan 8.150 nan 0.000 0.445 262 K N -1.844 118.592 120.400 0.061 0.000 2.057 262 K HA -0.205 4.115 4.320 0.001 0.000 0.207 262 K C 1.926 178.558 176.600 0.053 0.000 1.049 262 K CA 1.776 58.091 56.287 0.047 0.000 0.931 262 K CB -0.377 32.155 32.500 0.054 0.000 0.714 262 K HN 0.555 nan 8.250 nan 0.000 0.440 263 Y N 1.153 121.447 120.300 -0.009 0.000 2.224 263 Y HA -0.174 4.377 4.550 0.001 0.000 0.289 263 Y C 1.689 177.565 175.900 -0.040 0.000 1.146 263 Y CA 1.548 59.636 58.100 -0.019 0.000 1.182 263 Y CB -0.037 38.416 38.460 -0.012 0.000 0.983 263 Y HN 0.027 nan 8.280 nan 0.000 0.524 264 I N -1.291 119.249 120.570 -0.049 0.000 2.315 264 I HA -0.343 3.827 4.170 0.001 0.000 0.248 264 I C 2.318 178.312 176.117 -0.204 0.000 1.117 264 I CA 1.055 62.263 61.300 -0.154 0.000 1.404 264 I CB -0.501 37.468 38.000 -0.052 0.000 1.071 264 I HN 0.314 nan 8.210 nan 0.000 0.419 265 c N 0.528 119.048 118.600 -0.134 0.000 2.457 265 c HA -0.084 4.487 4.570 0.001 0.000 0.278 265 c C 2.527 176.534 174.090 -0.138 0.000 1.309 265 c CA 0.606 56.867 56.329 -0.112 0.000 1.735 265 c CB -0.969 41.503 42.510 -0.062 0.000 1.992 265 c HN 0.483 nan 8.230 nan 0.000 0.493 266 E N 0.627 120.722 120.200 -0.174 0.000 2.358 266 E HA -0.059 4.291 4.350 0.001 0.000 0.195 266 E C 0.606 177.072 176.600 -0.224 0.000 1.010 266 E CA 0.683 56.983 56.400 -0.167 0.000 0.856 266 E CB -0.157 29.459 29.700 -0.140 0.000 0.795 266 E HN 0.716 nan 8.360 nan 0.000 0.504 267 N N 0.424 118.917 118.700 -0.345 0.000 2.328 267 N HA 0.068 4.808 4.740 0.001 0.000 0.247 267 N C 0.733 176.086 175.510 -0.261 0.000 1.165 267 N CA -0.146 52.695 53.050 -0.349 0.000 0.873 267 N CB 0.572 38.691 38.487 -0.612 0.000 1.125 267 N HN 0.047 nan 8.380 nan 0.000 0.513 268 Q N 0.457 120.136 119.800 -0.202 0.000 2.077 268 Q HA -0.190 4.151 4.340 0.001 0.000 0.206 268 Q C 0.572 176.492 176.000 -0.134 0.000 0.989 268 Q CA 1.385 57.089 55.803 -0.165 0.000 0.853 268 Q CB 0.030 28.700 28.738 -0.113 0.000 0.907 268 Q HN 0.416 nan 8.270 nan 0.000 0.418 269 D N -0.595 119.742 120.400 -0.106 0.000 2.350 269 D HA -0.056 4.584 4.640 0.001 0.000 0.216 269 D C 1.294 177.554 176.300 -0.067 0.000 0.968 269 D CA 0.701 54.658 54.000 -0.072 0.000 0.894 269 D CB 0.049 40.816 40.800 -0.055 0.000 0.909 269 D HN 0.101 nan 8.370 nan 0.000 0.520 270 S N -0.783 114.862 115.700 -0.092 0.000 2.548 270 S HA 0.199 4.669 4.470 0.001 0.000 0.215 270 S C 1.790 176.339 174.600 -0.086 0.000 0.976 270 S CA -0.020 58.138 58.200 -0.070 0.000 0.908 270 S CB 0.746 63.905 63.200 -0.069 0.000 0.781 270 S HN 0.243 nan 8.310 nan 0.000 0.519 271 I N -0.441 120.040 120.570 -0.149 0.000 3.393 271 I HA 0.249 4.420 4.170 0.001 0.000 0.250 271 I C 0.648 176.671 176.117 -0.157 0.000 1.122 271 I CA 0.206 61.353 61.300 -0.254 0.000 1.484 271 I CB 0.508 38.209 38.000 -0.498 0.000 1.468 271 I HN 0.165 nan 8.210 nan 0.000 0.461 272 S N -0.523 115.105 115.700 -0.121 0.000 2.558 272 S HA 0.174 4.644 4.470 0.001 0.000 0.277 272 S C 0.014 174.611 174.600 -0.005 0.000 1.143 272 S CA -0.274 57.931 58.200 0.009 0.000 0.865 272 S CB 1.308 64.604 63.200 0.160 0.000 1.102 272 S HN 0.236 nan 8.310 nan 0.000 0.454 273 S N 2.567 118.277 115.700 0.017 0.000 2.710 273 S HA 0.290 4.760 4.470 0.001 0.000 0.224 273 S C 0.530 175.139 174.600 0.014 0.000 0.948 273 S CA -0.287 57.916 58.200 0.005 0.000 0.949 273 S CB -0.160 63.041 63.200 0.003 0.000 0.778 273 S HN 0.535 nan 8.310 nan 0.000 0.498 274 K N 0.759 121.180 120.400 0.034 0.000 2.387 274 K HA 0.398 4.718 4.320 0.001 0.000 0.203 274 K C 0.597 177.218 176.600 0.035 0.000 1.030 274 K CA 0.052 56.361 56.287 0.037 0.000 1.099 274 K CB 0.262 32.796 32.500 0.056 0.000 0.863 274 K HN 0.424 nan 8.250 nan 0.000 0.529 275 L N 0.964 122.199 121.223 0.020 0.000 2.616 275 L HA 0.094 4.434 4.340 0.001 0.000 0.229 275 L C 2.118 178.984 176.870 -0.007 0.000 1.110 275 L CA 0.080 54.925 54.840 0.009 0.000 0.884 275 L CB -0.011 42.038 42.059 -0.016 0.000 1.115 275 L HN 0.063 nan 8.230 nan 0.000 0.481 276 K N 0.692 121.087 120.400 -0.008 0.000 2.063 276 K HA -0.207 4.113 4.320 0.001 0.000 0.208 276 K C 1.372 177.968 176.600 -0.006 0.000 1.048 276 K CA 1.726 58.006 56.287 -0.012 0.000 0.928 276 K CB -0.218 32.276 32.500 -0.011 0.000 0.713 276 K HN 0.224 nan 8.250 nan 0.000 0.442 277 E N 1.114 121.314 120.200 0.000 0.000 2.072 277 E HA -0.092 4.258 4.350 0.001 0.000 0.191 277 E C 2.281 178.883 176.600 0.003 0.000 0.985 277 E CA 1.593 57.995 56.400 0.004 0.000 0.801 277 E CB -0.475 29.230 29.700 0.009 0.000 0.750 277 E HN 0.346 nan 8.360 nan 0.000 0.452 278 c N 0.229 118.831 118.600 0.002 0.000 2.413 278 c HA -0.184 4.386 4.570 0.001 0.000 0.277 278 c C 2.643 176.728 174.090 -0.009 0.000 1.228 278 c CA 0.623 56.950 56.329 -0.003 0.000 1.731 278 c CB -0.824 41.686 42.510 -0.000 0.000 2.042 278 c HN 0.554 nan 8.230 nan 0.000 0.468 279 c N 0.830 119.424 118.600 -0.011 0.000 2.466 279 c HA -0.058 4.512 4.570 0.001 0.000 0.283 279 c C 2.042 176.124 174.090 -0.013 0.000 1.472 279 c CA 0.727 57.046 56.329 -0.016 0.000 1.765 279 c CB -1.927 40.567 42.510 -0.026 0.000 1.724 279 c HN 0.639 nan 8.230 nan 0.000 0.560 280 E N 0.339 120.534 120.200 -0.007 0.000 2.489 280 E HA 0.036 4.387 4.350 0.001 0.000 0.193 280 E C 0.575 177.175 176.600 0.001 0.000 1.057 280 E CA 0.319 56.718 56.400 -0.003 0.000 0.866 280 E CB 0.300 30.000 29.700 -0.000 0.000 0.916 280 E HN 0.654 nan 8.360 nan 0.000 0.500 281 K N 1.213 121.612 120.400 -0.002 0.000 2.132 281 K HA 0.327 4.647 4.320 0.001 0.000 0.241 281 K C -2.454 174.145 176.600 -0.001 0.000 1.000 281 K CA -2.076 54.212 56.287 0.002 0.000 0.911 281 K CB 0.636 33.134 32.500 -0.003 0.000 1.093 281 K HN -0.191 nan 8.250 nan 0.000 0.460 282 P HA -0.068 nan 4.420 nan 0.000 0.271 282 P C 0.622 177.917 177.300 -0.008 0.000 1.244 282 P CA -0.374 62.731 63.100 0.010 0.000 0.793 282 P CB 0.392 32.111 31.700 0.032 0.000 0.984 283 L N 1.534 122.754 121.223 -0.004 0.000 1.963 283 L HA -0.219 4.122 4.340 0.001 0.000 0.220 283 L C 2.002 178.847 176.870 -0.042 0.000 1.076 283 L CA 2.015 56.846 54.840 -0.015 0.000 0.772 283 L CB -1.497 40.558 42.059 -0.006 0.000 0.892 283 L HN 0.323 nan 8.230 nan 0.000 0.435 284 L N -1.093 120.111 121.223 -0.032 0.000 2.141 284 L HA -0.172 4.168 4.340 0.001 0.000 0.209 284 L C 2.462 179.129 176.870 -0.338 0.000 1.094 284 L CA 1.077 55.868 54.840 -0.082 0.000 0.763 284 L CB -0.625 41.477 42.059 0.073 0.000 0.908 284 L HN 0.292 nan 8.230 nan 0.000 0.437 285 E N 0.385 120.418 120.200 -0.278 0.000 2.110 285 E HA -0.240 4.110 4.350 0.001 0.000 0.193 285 E C 2.106 178.552 176.600 -0.257 0.000 0.988 285 E CA 1.119 57.269 56.400 -0.416 0.000 0.804 285 E CB -0.066 29.586 29.700 -0.081 0.000 0.745 285 E HN 0.315 nan 8.360 nan 0.000 0.458 286 K N -0.073 120.245 120.400 -0.136 0.000 2.097 286 K HA -0.045 4.275 4.320 0.001 0.000 0.205 286 K C 1.916 178.478 176.600 -0.063 0.000 1.050 286 K CA 1.513 57.757 56.287 -0.073 0.000 0.938 286 K CB 0.035 32.512 32.500 -0.039 0.000 0.718 286 K HN -0.029 nan 8.250 nan 0.000 0.442 287 S N -0.310 115.345 115.700 -0.076 0.000 2.388 287 S HA -0.103 4.367 4.470 0.001 0.000 0.223 287 S C 1.650 176.243 174.600 -0.012 0.000 1.034 287 S CA 0.992 59.179 58.200 -0.021 0.000 0.963 287 S CB -0.474 62.719 63.200 -0.013 0.000 0.827 287 S HN 0.533 nan 8.310 nan 0.000 0.481 288 H N 0.964 119.902 119.070 -0.220 0.000 2.289 288 H HA -0.157 4.399 4.556 0.001 0.000 0.296 288 H C 2.439 177.699 175.328 -0.114 0.000 1.091 288 H CA 2.029 57.942 56.048 -0.225 0.000 1.274 288 H CB -0.929 28.440 29.762 -0.655 0.000 1.364 288 H HN 0.412 nan 8.280 nan 0.000 0.490 289 c N -0.099 118.377 118.600 -0.206 0.000 2.413 289 c HA -0.142 4.428 4.570 0.001 0.000 0.276 289 c C 2.897 176.929 174.090 -0.097 0.000 1.236 289 c CA 1.321 57.554 56.329 -0.160 0.000 1.735 289 c CB -1.441 41.033 42.510 -0.060 0.000 2.031 289 c HN 0.709 nan 8.230 nan 0.000 0.474 290 I N 1.296 121.847 120.570 -0.031 0.000 2.226 290 I HA -0.187 3.984 4.170 0.001 0.000 0.245 290 I C 2.799 178.957 176.117 0.068 0.000 1.100 290 I CA 1.678 63.007 61.300 0.049 0.000 1.374 290 I CB -0.514 37.534 38.000 0.080 0.000 1.057 290 I HN 0.422 nan 8.210 nan 0.000 0.413 291 A N -0.021 122.826 122.820 0.046 0.000 2.019 291 A HA -0.183 4.137 4.320 0.001 0.000 0.219 291 A C 1.700 179.298 177.584 0.023 0.000 1.164 291 A CA 1.643 53.733 52.037 0.088 0.000 0.644 291 A CB -0.371 18.717 19.000 0.147 0.000 0.805 291 A HN 0.512 nan 8.150 nan 0.000 0.449 292 E N -1.163 119.000 120.200 -0.062 0.000 2.887 292 E HA 0.298 4.648 4.350 0.001 0.000 0.206 292 E C -0.548 176.015 176.600 -0.061 0.000 0.983 292 E CA -0.308 56.049 56.400 -0.072 0.000 1.141 292 E CB 1.084 30.703 29.700 -0.135 0.000 1.061 292 E HN 0.224 nan 8.360 nan 0.000 0.468 293 V N 1.997 121.889 119.914 -0.036 0.000 2.834 293 V HA 0.088 4.208 4.120 0.001 0.000 0.301 293 V C 0.247 176.320 176.094 -0.036 0.000 1.066 293 V CA -0.377 61.914 62.300 -0.015 0.000 1.052 293 V CB 1.214 33.061 31.823 0.041 0.000 1.021 293 V HN 0.373 nan 8.190 nan 0.000 0.480 294 E N 5.084 125.268 120.200 -0.027 0.000 2.408 294 E HA 0.083 4.433 4.350 0.001 0.000 0.259 294 E C -0.354 176.209 176.600 -0.061 0.000 1.110 294 E CA -0.547 55.825 56.400 -0.048 0.000 0.929 294 E CB 0.323 30.002 29.700 -0.036 0.000 0.971 294 E HN 0.693 nan 8.360 nan 0.000 0.438 295 N N 2.363 121.007 118.700 -0.094 0.000 2.454 295 N HA -0.018 4.723 4.740 0.001 0.000 0.254 295 N C -0.422 175.059 175.510 -0.049 0.000 1.228 295 N CA 0.043 53.030 53.050 -0.106 0.000 0.900 295 N CB 0.494 38.906 38.487 -0.125 0.000 1.089 295 N HN 0.560 nan 8.380 nan 0.000 0.449 296 D N 0.661 121.053 120.400 -0.013 0.000 2.377 296 D HA 0.046 4.686 4.640 0.001 0.000 0.245 296 D C -0.120 176.171 176.300 -0.015 0.000 1.196 296 D CA -0.160 53.852 54.000 0.019 0.000 0.962 296 D CB 0.727 41.576 40.800 0.082 0.000 1.127 296 D HN 0.237 nan 8.370 nan 0.000 0.471 297 E N 0.782 120.974 120.200 -0.013 0.000 2.398 297 E HA 0.017 4.367 4.350 0.001 0.000 0.263 297 E C 0.147 176.726 176.600 -0.035 0.000 1.046 297 E CA 0.019 56.401 56.400 -0.031 0.000 0.908 297 E CB 0.479 30.163 29.700 -0.025 0.000 0.963 297 E HN 0.467 nan 8.360 nan 0.000 0.431 298 M N 2.939 122.503 119.600 -0.060 0.000 2.233 298 M HA 0.157 4.638 4.480 0.001 0.000 0.350 298 M C -2.159 174.108 176.300 -0.055 0.000 1.176 298 M CA -1.540 53.717 55.300 -0.072 0.000 1.150 298 M CB 0.708 33.242 32.600 -0.110 0.000 1.530 298 M HN 0.048 nan 8.290 nan 0.000 0.459 299 P HA 0.121 nan 4.420 nan 0.000 0.271 299 P C -0.719 176.550 177.300 -0.053 0.000 1.226 299 P CA -0.016 63.062 63.100 -0.037 0.000 0.765 299 P CB 0.742 32.429 31.700 -0.023 0.000 0.835 300 A N 2.623 125.416 122.820 -0.046 0.000 2.067 300 A HA -0.080 4.240 4.320 0.001 0.000 0.217 300 A C 1.152 178.707 177.584 -0.049 0.000 1.156 300 A CA 1.065 53.071 52.037 -0.052 0.000 0.683 300 A CB -0.571 18.404 19.000 -0.043 0.000 0.808 300 A HN 0.451 nan 8.150 nan 0.000 0.455 301 D N 0.264 120.641 120.400 -0.038 0.000 2.973 301 D HA 0.391 5.032 4.640 0.001 0.000 0.263 301 D C -0.882 175.398 176.300 -0.032 0.000 1.266 301 D CA 0.059 54.040 54.000 -0.031 0.000 0.975 301 D CB -0.343 40.445 40.800 -0.020 0.000 1.032 301 D HN 0.221 nan 8.370 nan 0.000 0.510 302 L N 2.638 123.832 121.223 -0.047 0.000 2.313 302 L HA 0.472 4.812 4.340 0.001 0.000 0.283 302 L C -1.591 175.248 176.870 -0.050 0.000 1.013 302 L CA -1.636 53.172 54.840 -0.053 0.000 0.816 302 L CB 1.636 43.645 42.059 -0.083 0.000 1.236 302 L HN 0.172 nan 8.230 nan 0.000 0.419 303 P HA 0.029 nan 4.420 nan 0.000 0.271 303 P C -0.460 176.818 177.300 -0.037 0.000 1.233 303 P CA -0.315 62.769 63.100 -0.026 0.000 0.789 303 P CB 0.815 32.511 31.700 -0.008 0.000 0.951 304 S N 0.305 115.989 115.700 -0.027 0.000 2.564 304 S HA 0.098 4.569 4.470 0.001 0.000 0.278 304 S C 1.505 176.115 174.600 0.017 0.000 1.333 304 S CA -0.698 57.484 58.200 -0.031 0.000 1.048 304 S CB -0.142 63.041 63.200 -0.029 0.000 0.900 304 S HN 0.418 nan 8.310 nan 0.000 0.505 305 L N 4.303 125.535 121.223 0.015 0.000 1.989 305 L HA -0.135 4.206 4.340 0.001 0.000 0.211 305 L C 2.818 179.865 176.870 0.296 0.000 1.071 305 L CA 1.800 56.711 54.840 0.119 0.000 0.749 305 L CB -0.914 41.149 42.059 0.007 0.000 0.890 305 L HN 0.925 nan 8.230 nan 0.000 0.431 306 A N -0.291 122.713 122.820 0.306 0.000 2.032 306 A HA -0.256 4.064 4.320 0.001 0.000 0.221 306 A C 2.442 180.203 177.584 0.295 0.000 1.165 306 A CA 1.759 54.053 52.037 0.429 0.000 0.645 306 A CB -0.658 18.526 19.000 0.307 0.000 0.807 306 A HN 0.511 nan 8.150 nan 0.000 0.453 307 A N 0.177 123.102 122.820 0.174 0.000 1.908 307 A HA -0.181 4.139 4.320 0.001 0.000 0.218 307 A C 1.645 179.281 177.584 0.086 0.000 1.181 307 A CA 2.028 54.132 52.037 0.112 0.000 0.627 307 A CB -0.485 18.549 19.000 0.057 0.000 0.818 307 A HN 0.515 nan 8.150 nan 0.000 0.445 308 D N -2.132 118.277 120.400 0.015 0.000 2.301 308 D HA 0.126 4.767 4.640 0.001 0.000 0.206 308 D C 0.993 177.155 176.300 -0.229 0.000 0.979 308 D CA 0.692 54.564 54.000 -0.213 0.000 0.874 308 D CB -0.100 40.376 40.800 -0.541 0.000 0.968 308 D HN 0.491 nan 8.370 nan 0.000 0.510 309 F N -0.690 119.416 119.950 0.260 0.000 2.712 309 F HA 0.216 4.743 4.527 0.000 0.000 0.297 309 F C 1.720 177.727 175.800 0.346 0.000 1.114 309 F CA 0.118 58.322 58.000 0.340 0.000 1.305 309 F CB 0.746 39.849 39.000 0.171 0.000 1.086 309 F HN -0.200 nan 8.300 nan 0.000 0.599 310 V N -1.879 118.335 119.914 0.500 0.000 3.294 310 V HA 0.091 4.212 4.120 0.001 0.000 0.255 310 V C 1.400 177.829 176.094 0.557 0.000 1.528 310 V CA 0.357 62.993 62.300 0.561 0.000 1.086 310 V CB 0.671 32.818 31.823 0.539 0.000 0.906 310 V HN 0.068 nan 8.190 nan 0.000 0.433 311 E N 0.429 120.862 120.200 0.388 0.000 2.216 311 E HA 0.107 4.457 4.350 0.001 0.000 0.192 311 E C 1.216 177.962 176.600 0.242 0.000 0.973 311 E CA 0.430 56.994 56.400 0.274 0.000 0.851 311 E CB 0.414 30.224 29.700 0.184 0.000 0.804 311 E HN 0.397 nan 8.360 nan 0.000 0.477 312 S N 1.192 117.034 115.700 0.238 0.000 2.566 312 S HA -0.061 4.409 4.470 0.001 0.000 0.280 312 S C 0.940 175.702 174.600 0.270 0.000 1.343 312 S CA 0.026 58.336 58.200 0.184 0.000 1.036 312 S CB 0.622 63.902 63.200 0.133 0.000 0.866 312 S HN 0.255 nan 8.310 nan 0.000 0.526 313 K N 1.276 121.772 120.400 0.161 0.000 2.374 313 K HA 0.210 4.530 4.320 0.001 0.000 0.196 313 K C -0.374 176.379 176.600 0.255 0.000 1.023 313 K CA 0.077 56.467 56.287 0.172 0.000 1.103 313 K CB 0.129 32.530 32.500 -0.165 0.000 0.848 313 K HN 0.405 nan 8.250 nan 0.000 0.528 314 D N 1.311 121.806 120.400 0.158 0.000 2.342 314 D HA 0.024 4.665 4.640 0.001 0.000 0.221 314 D C 1.451 177.761 176.300 0.017 0.000 1.101 314 D CA -0.071 53.977 54.000 0.080 0.000 0.837 314 D CB 0.548 41.367 40.800 0.031 0.000 0.938 314 D HN -0.034 nan 8.370 nan 0.000 0.508 315 V N 0.453 120.404 119.914 0.060 0.000 2.216 315 V HA -0.316 3.804 4.120 0.001 0.000 0.243 315 V C 2.572 178.558 176.094 -0.180 0.000 1.044 315 V CA 1.577 63.825 62.300 -0.088 0.000 0.995 315 V CB -0.639 31.001 31.823 -0.304 0.000 0.633 315 V HN 0.332 nan 8.190 nan 0.000 0.446 316 c N -0.221 118.327 118.600 -0.086 0.000 2.398 316 c HA -0.196 4.375 4.570 0.001 0.000 0.276 316 c C 2.752 176.814 174.090 -0.047 0.000 1.222 316 c CA 1.040 57.352 56.329 -0.027 0.000 1.746 316 c CB -1.181 41.338 42.510 0.014 0.000 2.039 316 c HN 0.535 nan 8.230 nan 0.000 0.470 317 K N 0.456 120.832 120.400 -0.039 0.000 2.160 317 K HA -0.196 4.125 4.320 0.001 0.000 0.206 317 K C 1.891 178.415 176.600 -0.126 0.000 1.047 317 K CA 1.327 57.581 56.287 -0.054 0.000 0.930 317 K CB -0.319 32.171 32.500 -0.016 0.000 0.720 317 K HN 0.530 nan 8.250 nan 0.000 0.450 318 N N 0.216 118.773 118.700 -0.238 0.000 2.197 318 N HA -0.131 4.610 4.740 0.001 0.000 0.184 318 N C 1.798 177.025 175.510 -0.472 0.000 1.030 318 N CA 0.851 53.666 53.050 -0.391 0.000 0.851 318 N CB -0.177 37.938 38.487 -0.620 0.000 1.003 318 N HN 0.119 nan 8.380 nan 0.000 0.430 319 Y N 1.984 121.843 120.300 -0.735 0.000 2.114 319 Y HA -0.150 4.402 4.550 0.002 0.000 0.282 319 Y C 2.274 178.072 175.900 -0.171 0.000 1.165 319 Y CA 2.072 59.922 58.100 -0.417 0.000 1.148 319 Y CB -0.854 37.444 38.460 -0.271 0.000 0.972 319 Y HN 0.127 nan 8.280 nan 0.000 0.504 320 A N -0.245 122.417 122.820 -0.264 0.000 2.076 320 A HA -0.171 4.150 4.320 0.001 0.000 0.220 320 A C 1.942 179.387 177.584 -0.233 0.000 1.160 320 A CA 1.763 53.631 52.037 -0.282 0.000 0.653 320 A CB -0.603 18.324 19.000 -0.120 0.000 0.801 320 A HN 0.685 nan 8.150 nan 0.000 0.455 321 E N -0.168 119.922 120.200 -0.184 0.000 2.013 321 E HA 0.283 4.633 4.350 0.001 0.000 0.196 321 E C 0.909 177.441 176.600 -0.114 0.000 0.964 321 E CA 0.614 56.943 56.400 -0.118 0.000 0.854 321 E CB -0.088 29.565 29.700 -0.079 0.000 0.816 321 E HN 0.391 nan 8.360 nan 0.000 0.489 322 A N 1.656 124.435 122.820 -0.068 0.000 2.582 322 A HA 0.109 4.429 4.320 0.001 0.000 0.336 322 A C 0.870 178.465 177.584 0.019 0.000 1.445 322 A CA -0.385 51.648 52.037 -0.008 0.000 0.997 322 A CB -0.057 18.981 19.000 0.063 0.000 1.148 322 A HN 0.330 nan 8.150 nan 0.000 0.514 323 K N 1.245 121.585 120.400 -0.099 0.000 2.057 323 K HA -0.176 4.145 4.320 0.001 0.000 0.207 323 K C 0.137 176.870 176.600 0.221 0.000 1.049 323 K CA 1.742 57.979 56.287 -0.083 0.000 0.931 323 K CB -0.123 32.194 32.500 -0.306 0.000 0.714 323 K HN 0.505 nan 8.250 nan 0.000 0.440 324 D N 1.138 121.632 120.400 0.155 0.000 2.149 324 D HA -0.067 4.573 4.640 0.001 0.000 0.201 324 D C 2.199 178.639 176.300 0.233 0.000 0.972 324 D CA 1.015 55.126 54.000 0.186 0.000 0.835 324 D CB 0.001 40.884 40.800 0.138 0.000 0.966 324 D HN 0.111 nan 8.370 nan 0.000 0.476 325 V N 0.857 120.912 119.914 0.235 0.000 2.591 325 V HA -0.159 3.961 4.120 0.001 0.000 0.249 325 V C 2.092 178.323 176.094 0.227 0.000 1.053 325 V CA 0.831 63.285 62.300 0.256 0.000 1.068 325 V CB -0.478 31.483 31.823 0.230 0.000 0.689 325 V HN 0.017 nan 8.190 nan 0.000 0.462 326 F N 0.642 120.687 119.950 0.159 0.000 2.113 326 F HA -0.074 4.453 4.527 0.001 0.000 0.297 326 F C 1.979 177.965 175.800 0.309 0.000 1.103 326 F CA 1.542 59.687 58.000 0.240 0.000 1.248 326 F CB -0.206 38.981 39.000 0.313 0.000 0.999 326 F HN 0.017 nan 8.300 nan 0.000 0.475 327 L N -0.557 120.855 121.223 0.314 0.000 2.093 327 L HA -0.061 4.279 4.340 0.001 0.000 0.208 327 L C 2.798 179.771 176.870 0.172 0.000 1.085 327 L CA 1.131 56.087 54.840 0.193 0.000 0.755 327 L CB -1.560 40.628 42.059 0.215 0.000 0.904 327 L HN 0.276 nan 8.230 nan 0.000 0.435 328 G N 0.010 108.934 108.800 0.206 0.000 2.476 328 G HA2 -0.316 3.644 3.960 0.001 0.000 0.218 328 G HA3 -0.316 3.644 3.960 0.001 0.000 0.218 328 G C 1.642 176.632 174.900 0.149 0.000 1.164 328 G CA 0.985 46.259 45.100 0.290 0.000 0.768 328 G HN 0.201 nan 8.290 nan 0.000 0.560 329 M N -0.692 118.751 119.600 -0.262 0.000 2.132 329 M HA 0.071 4.551 4.480 0.001 0.000 0.263 329 M C 2.308 178.559 176.300 -0.081 0.000 1.065 329 M CA 1.178 56.209 55.300 -0.449 0.000 1.122 329 M CB -0.332 32.024 32.600 -0.406 0.000 1.365 329 M HN 0.325 nan 8.290 nan 0.000 0.411 330 F N 1.061 120.761 119.950 -0.417 0.000 2.069 330 F HA -0.293 4.235 4.527 0.001 0.000 0.298 330 F C 2.005 177.553 175.800 -0.420 0.000 1.113 330 F CA 1.480 58.934 58.000 -0.909 0.000 1.214 330 F CB -0.344 38.016 39.000 -1.066 0.000 0.978 330 F HN -0.005 nan 8.300 nan 0.000 0.474 331 L N 0.300 121.564 121.223 0.068 0.000 2.013 331 L HA -0.252 4.088 4.340 0.001 0.000 0.212 331 L C 2.315 179.177 176.870 -0.014 0.000 1.073 331 L CA 2.331 57.190 54.840 0.032 0.000 0.753 331 L CB -1.672 40.467 42.059 0.134 0.000 0.890 331 L HN 0.502 nan 8.230 nan 0.000 0.432 332 Y N 0.073 120.369 120.300 -0.005 0.000 2.181 332 Y HA -0.212 4.338 4.550 0.001 0.000 0.288 332 Y C 2.339 178.215 175.900 -0.039 0.000 1.146 332 Y CA 2.050 60.181 58.100 0.050 0.000 1.164 332 Y CB -0.223 38.407 38.460 0.283 0.000 0.982 332 Y HN 0.277 nan 8.280 nan 0.000 0.515 333 E N -0.593 119.417 120.200 -0.316 0.000 2.106 333 E HA -0.216 4.134 4.350 0.001 0.000 0.192 333 E C 2.023 178.371 176.600 -0.420 0.000 0.984 333 E CA 1.264 57.403 56.400 -0.435 0.000 0.806 333 E CB -0.727 28.859 29.700 -0.189 0.000 0.750 333 E HN 0.610 nan 8.360 nan 0.000 0.458 334 Y N 1.095 121.037 120.300 -0.596 0.000 2.200 334 Y HA -0.161 4.389 4.550 0.000 0.000 0.290 334 Y C 2.291 178.036 175.900 -0.259 0.000 1.137 334 Y CA 1.255 59.060 58.100 -0.491 0.000 1.163 334 Y CB -0.355 37.652 38.460 -0.755 0.000 0.988 334 Y HN 0.019 nan 8.280 nan 0.000 0.518 335 A N 0.961 123.736 122.820 -0.073 0.000 1.855 335 A HA -0.182 4.138 4.320 0.001 0.000 0.215 335 A C 2.331 179.841 177.584 -0.123 0.000 1.191 335 A CA 1.774 53.771 52.037 -0.066 0.000 0.613 335 A CB -0.744 18.201 19.000 -0.092 0.000 0.829 335 A HN 0.532 nan 8.150 nan 0.000 0.442 336 R N -0.265 120.092 120.500 -0.237 0.000 2.139 336 R HA -0.131 4.210 4.340 0.001 0.000 0.243 336 R C 1.619 177.786 176.300 -0.222 0.000 1.145 336 R CA 1.742 57.696 56.100 -0.243 0.000 0.976 336 R CB -0.441 29.641 30.300 -0.363 0.000 0.866 336 R HN 0.446 nan 8.270 nan 0.000 0.449 337 R N -0.160 120.196 120.500 -0.240 0.000 2.310 337 R HA 0.120 4.461 4.340 0.001 0.000 0.202 337 R C 0.035 176.025 176.300 -0.517 0.000 0.933 337 R CA 0.331 56.232 56.100 -0.331 0.000 1.054 337 R CB 0.232 30.330 30.300 -0.337 0.000 0.985 337 R HN 0.347 nan 8.270 nan 0.000 0.489 338 H N -0.205 118.720 119.070 -0.242 0.000 2.490 338 H HA 0.133 4.689 4.556 0.001 0.000 0.230 338 H C -2.037 173.148 175.328 -0.240 0.000 1.417 338 H CA -1.541 54.307 56.048 -0.334 0.000 1.449 338 H CB 1.581 31.082 29.762 -0.435 0.000 1.649 338 H HN 0.006 nan 8.280 nan 0.000 0.519 339 P HA -0.104 nan 4.420 nan 0.000 0.225 339 P C 1.103 178.352 177.300 -0.086 0.000 1.156 339 P CA 0.872 63.901 63.100 -0.117 0.000 0.787 339 P CB 0.353 31.971 31.700 -0.136 0.000 0.802 340 D N -1.660 118.673 120.400 -0.111 0.000 2.351 340 D HA -0.173 4.467 4.640 0.001 0.000 0.216 340 D C 0.245 176.600 176.300 0.090 0.000 0.968 340 D CA 0.751 54.718 54.000 -0.054 0.000 0.899 340 D CB -0.942 39.801 40.800 -0.096 0.000 0.907 340 D HN 0.120 nan 8.370 nan 0.000 0.514 341 Y N 1.182 121.498 120.300 0.027 0.000 2.352 341 Y HA 0.361 4.912 4.550 0.000 0.000 0.326 341 Y C 1.045 176.909 175.900 -0.060 0.000 1.166 341 Y CA -2.546 55.538 58.100 -0.027 0.000 1.182 341 Y CB 1.175 39.587 38.460 -0.080 0.000 1.216 341 Y HN -0.100 nan 8.280 nan 0.000 0.474 342 S N 0.254 116.014 115.700 0.100 0.000 2.572 342 S HA 0.133 4.603 4.470 0.001 0.000 0.279 342 S C 0.981 175.562 174.600 -0.031 0.000 1.341 342 S CA -0.654 57.557 58.200 0.018 0.000 1.043 342 S CB 0.820 64.024 63.200 0.006 0.000 0.887 342 S HN 0.454 nan 8.310 nan 0.000 0.516 343 V N 2.931 122.807 119.914 -0.063 0.000 2.332 343 V HA -0.204 3.917 4.120 0.001 0.000 0.248 343 V C 2.603 178.644 176.094 -0.089 0.000 1.055 343 V CA 2.104 64.325 62.300 -0.133 0.000 1.038 343 V CB -1.246 30.429 31.823 -0.246 0.000 0.651 343 V HN 0.932 nan 8.190 nan 0.000 0.450 344 V N -1.232 118.663 119.914 -0.031 0.000 2.490 344 V HA -0.198 3.922 4.120 0.001 0.000 0.250 344 V C 2.350 178.382 176.094 -0.104 0.000 1.061 344 V CA 2.001 64.277 62.300 -0.040 0.000 1.064 344 V CB -0.967 30.846 31.823 -0.016 0.000 0.670 344 V HN 0.478 nan 8.190 nan 0.000 0.461 345 L N -0.130 121.013 121.223 -0.133 0.000 2.093 345 L HA 0.027 4.368 4.340 0.001 0.000 0.208 345 L C 2.219 178.905 176.870 -0.307 0.000 1.085 345 L CA 1.753 56.457 54.840 -0.228 0.000 0.755 345 L CB -0.515 41.372 42.059 -0.286 0.000 0.904 345 L HN 0.260 nan 8.230 nan 0.000 0.435 346 L N -1.343 119.729 121.223 -0.253 0.000 2.217 346 L HA -0.144 4.196 4.340 0.001 0.000 0.211 346 L C 2.303 179.017 176.870 -0.259 0.000 1.107 346 L CA 0.824 55.481 54.840 -0.305 0.000 0.783 346 L CB -0.343 41.599 42.059 -0.195 0.000 0.919 346 L HN 0.287 nan 8.230 nan 0.000 0.442 347 L N -1.159 119.959 121.223 -0.175 0.000 2.179 347 L HA -0.087 4.254 4.340 0.001 0.000 0.208 347 L C 2.719 179.511 176.870 -0.130 0.000 1.096 347 L CA 0.808 55.577 54.840 -0.118 0.000 0.779 347 L CB -0.411 41.605 42.059 -0.070 0.000 0.922 347 L HN 0.118 nan 8.230 nan 0.000 0.443 348 R N 0.234 120.638 120.500 -0.160 0.000 2.083 348 R HA -0.143 4.197 4.340 0.001 0.000 0.237 348 R C 2.279 178.465 176.300 -0.190 0.000 1.137 348 R CA 1.357 57.366 56.100 -0.153 0.000 0.951 348 R CB -0.497 29.709 30.300 -0.156 0.000 0.851 348 R HN 0.324 nan 8.270 nan 0.000 0.434 349 L N 0.019 121.030 121.223 -0.353 0.000 2.042 349 L HA -0.181 4.159 4.340 0.001 0.000 0.210 349 L C 2.706 179.404 176.870 -0.287 0.000 1.076 349 L CA 1.414 55.906 54.840 -0.579 0.000 0.749 349 L CB -0.798 40.566 42.059 -1.159 0.000 0.893 349 L HN 0.263 nan 8.230 nan 0.000 0.432 350 A N 0.436 123.164 122.820 -0.153 0.000 1.902 350 A HA -0.242 4.078 4.320 0.001 0.000 0.217 350 A C 2.333 179.863 177.584 -0.090 0.000 1.181 350 A CA 1.964 53.958 52.037 -0.072 0.000 0.623 350 A CB -0.402 18.607 19.000 0.016 0.000 0.818 350 A HN 0.232 nan 8.150 nan 0.000 0.443 351 K N -0.230 120.132 120.400 -0.064 0.000 2.148 351 K HA -0.059 4.262 4.320 0.001 0.000 0.204 351 K C 1.714 178.293 176.600 -0.035 0.000 1.050 351 K CA 2.115 58.376 56.287 -0.043 0.000 0.942 351 K CB -0.684 31.793 32.500 -0.039 0.000 0.724 351 K HN 0.427 nan 8.250 nan 0.000 0.446 352 T N -0.458 114.097 114.554 0.002 0.000 3.014 352 T HA -0.051 4.299 4.350 0.001 0.000 0.263 352 T C 1.216 175.959 174.700 0.072 0.000 1.078 352 T CA 0.842 62.982 62.100 0.067 0.000 1.135 352 T CB -0.369 68.614 68.868 0.192 0.000 0.895 352 T HN 0.263 nan 8.240 nan 0.000 0.480 353 Y N 1.885 122.120 120.300 -0.109 0.000 2.243 353 Y HA 0.077 4.627 4.550 0.001 0.000 0.293 353 Y C 2.409 178.090 175.900 -0.366 0.000 1.124 353 Y CA 1.104 59.023 58.100 -0.300 0.000 1.159 353 Y CB -0.150 37.838 38.460 -0.786 0.000 1.008 353 Y HN 0.195 nan 8.280 nan 0.000 0.527 354 E N -0.400 119.606 120.200 -0.324 0.000 2.033 354 E HA -0.250 4.100 4.350 0.001 0.000 0.199 354 E C 2.045 178.482 176.600 -0.271 0.000 1.011 354 E CA 2.703 58.917 56.400 -0.310 0.000 0.815 354 E CB -0.222 29.425 29.700 -0.089 0.000 0.755 354 E HN 0.614 nan 8.360 nan 0.000 0.451 355 T N -1.664 112.797 114.554 -0.156 0.000 2.759 355 T HA -0.158 4.192 4.350 0.001 0.000 0.269 355 T C 2.019 176.633 174.700 -0.144 0.000 1.042 355 T CA 1.789 63.825 62.100 -0.107 0.000 1.140 355 T CB -0.880 67.952 68.868 -0.060 0.000 0.864 355 T HN 0.080 nan 8.240 nan 0.000 0.455 356 T N 2.339 116.773 114.554 -0.200 0.000 2.746 356 T HA 0.113 4.463 4.350 0.001 0.000 0.267 356 T C 1.915 176.457 174.700 -0.263 0.000 1.039 356 T CA 1.055 63.034 62.100 -0.202 0.000 1.142 356 T CB -0.427 68.317 68.868 -0.206 0.000 0.866 356 T HN 0.295 nan 8.240 nan 0.000 0.444 357 L N 0.809 121.745 121.223 -0.479 0.000 2.027 357 L HA -0.051 4.289 4.340 0.001 0.000 0.206 357 L C 2.829 179.552 176.870 -0.246 0.000 1.074 357 L CA 1.297 55.810 54.840 -0.545 0.000 0.745 357 L CB -0.696 40.656 42.059 -1.178 0.000 0.898 357 L HN 0.228 nan 8.230 nan 0.000 0.433 358 E N 0.341 120.452 120.200 -0.148 0.000 2.160 358 E HA -0.242 4.109 4.350 0.001 0.000 0.195 358 E C 2.055 178.654 176.600 -0.001 0.000 0.991 358 E CA 1.067 57.489 56.400 0.035 0.000 0.810 358 E CB -0.025 29.708 29.700 0.056 0.000 0.742 358 E HN 0.405 nan 8.360 nan 0.000 0.466 359 K N 0.492 120.867 120.400 -0.042 0.000 2.078 359 K HA -0.015 4.305 4.320 0.001 0.000 0.203 359 K C 2.246 178.831 176.600 -0.025 0.000 1.043 359 K CA 0.710 56.979 56.287 -0.030 0.000 0.960 359 K CB -0.355 32.121 32.500 -0.038 0.000 0.761 359 K HN 0.095 nan 8.250 nan 0.000 0.448 360 c N 1.251 119.833 118.600 -0.031 0.000 2.432 360 c HA -0.113 4.457 4.570 0.001 0.000 0.277 360 c C 2.976 177.068 174.090 0.003 0.000 1.249 360 c CA 0.825 57.152 56.329 -0.003 0.000 1.725 360 c CB -0.994 41.546 42.510 0.051 0.000 2.028 360 c HN 0.647 nan 8.230 nan 0.000 0.477 361 c N 0.799 119.402 118.600 0.006 0.000 2.403 361 c HA -0.115 4.455 4.570 0.001 0.000 0.279 361 c C 2.987 177.076 174.090 -0.003 0.000 1.269 361 c CA 1.274 57.608 56.329 0.008 0.000 1.774 361 c CB -1.606 40.924 42.510 0.033 0.000 1.993 361 c HN 0.732 nan 8.230 nan 0.000 0.496 362 A N 0.377 123.197 122.820 -0.001 0.000 1.970 362 A HA 0.415 4.735 4.320 0.001 0.000 0.216 362 A C 1.478 179.055 177.584 -0.011 0.000 1.170 362 A CA 1.118 53.152 52.037 -0.004 0.000 0.645 362 A CB -0.635 18.364 19.000 -0.001 0.000 0.816 362 A HN 0.573 nan 8.150 nan 0.000 0.447 363 A N -1.028 121.782 122.820 -0.016 0.000 2.386 363 A HA 0.526 4.846 4.320 0.001 0.000 0.246 363 A C 1.692 179.259 177.584 -0.029 0.000 1.089 363 A CA 0.351 52.375 52.037 -0.022 0.000 0.790 363 A CB -0.218 18.767 19.000 -0.025 0.000 1.042 363 A HN 1.225 nan 8.150 nan 0.000 0.497 364 A N 0.552 123.357 122.820 -0.026 0.000 1.848 364 A HA -0.127 4.194 4.320 0.001 0.000 0.217 364 A C 1.031 178.594 177.584 -0.036 0.000 1.220 364 A CA 2.293 54.316 52.037 -0.023 0.000 0.645 364 A CB -0.751 18.240 19.000 -0.015 0.000 0.842 364 A HN 0.882 nan 8.150 nan 0.000 0.451 365 D N -1.393 118.980 120.400 -0.046 0.000 2.485 365 D HA 0.445 5.085 4.640 0.001 0.000 0.229 365 D C -1.957 174.247 176.300 -0.159 0.000 1.101 365 D CA -2.039 51.922 54.000 -0.066 0.000 0.906 365 D CB 1.127 41.925 40.800 -0.004 0.000 1.019 365 D HN -0.004 nan 8.370 nan 0.000 0.516 366 P HA -0.177 nan 4.420 nan 0.000 0.215 366 P C 0.712 177.687 177.300 -0.542 0.000 1.157 366 P CA 1.367 64.324 63.100 -0.239 0.000 0.868 366 P CB 0.086 31.716 31.700 -0.115 0.000 0.788 367 H N -0.697 118.103 119.070 -0.449 0.000 2.394 367 H HA -0.183 4.373 4.556 0.001 0.000 0.297 367 H C 2.105 177.055 175.328 -0.630 0.000 1.113 367 H CA 1.577 57.135 56.048 -0.816 0.000 1.277 367 H CB -0.545 29.047 29.762 -0.282 0.000 1.370 367 H HN 0.312 nan 8.280 nan 0.000 0.506 368 E N 0.629 120.688 120.200 -0.234 0.000 2.007 368 E HA -0.195 4.156 4.350 0.001 0.000 0.194 368 E C 2.204 178.700 176.600 -0.173 0.000 0.999 368 E CA 1.789 58.099 56.400 -0.150 0.000 0.811 368 E CB -0.089 29.564 29.700 -0.078 0.000 0.762 368 E HN 0.650 nan 8.360 nan 0.000 0.450 369 c N 0.629 119.129 118.600 -0.166 0.000 2.514 369 c HA 0.092 4.663 4.570 0.001 0.000 0.271 369 c C 2.598 176.667 174.090 -0.035 0.000 1.399 369 c CA 0.070 56.349 56.329 -0.085 0.000 1.765 369 c CB -1.564 40.915 42.510 -0.052 0.000 1.893 369 c HN 0.631 nan 8.230 nan 0.000 0.531 370 Y N 1.497 121.779 120.300 -0.029 0.000 2.517 370 Y HA 0.510 5.060 4.550 0.001 0.000 0.281 370 Y C 2.176 178.090 175.900 0.024 0.000 1.125 370 Y CA -0.122 57.957 58.100 -0.034 0.000 1.283 370 Y CB -1.328 37.097 38.460 -0.057 0.000 1.042 370 Y HN 0.187 nan 8.280 nan 0.000 0.547 371 A N 1.899 124.720 122.820 0.001 0.000 1.986 371 A HA -0.197 4.123 4.320 0.001 0.000 0.220 371 A C 1.925 179.591 177.584 0.138 0.000 1.171 371 A CA 1.769 53.866 52.037 0.101 0.000 0.640 371 A CB -0.556 18.443 19.000 -0.002 0.000 0.811 371 A HN 0.556 nan 8.150 nan 0.000 0.451 372 K N -0.144 120.295 120.400 0.065 0.000 2.469 372 K HA 0.255 4.576 4.320 0.001 0.000 0.201 372 K C 1.126 177.708 176.600 -0.030 0.000 1.028 372 K CA 0.120 56.431 56.287 0.040 0.000 1.170 372 K CB 0.209 32.715 32.500 0.010 0.000 0.874 372 K HN 0.264 nan 8.250 nan 0.000 0.507 373 V N 0.728 120.591 119.914 -0.085 0.000 2.392 373 V HA -0.248 3.872 4.120 0.001 0.000 0.249 373 V C 1.728 177.413 176.094 -0.681 0.000 1.059 373 V CA 1.836 63.908 62.300 -0.379 0.000 1.051 373 V CB -0.561 31.026 31.823 -0.394 0.000 0.658 373 V HN 0.313 nan 8.190 nan 0.000 0.455 374 F N 1.280 121.039 119.950 -0.318 0.000 2.269 374 F HA -0.155 4.372 4.527 0.001 0.000 0.301 374 F C 2.086 177.827 175.800 -0.098 0.000 1.082 374 F CA 1.357 59.227 58.000 -0.216 0.000 1.360 374 F CB -0.214 38.800 39.000 0.024 0.000 1.041 374 F HN 0.432 nan 8.300 nan 0.000 0.512 375 D N -0.713 119.735 120.400 0.079 0.000 2.328 375 D HA -0.078 4.562 4.640 0.001 0.000 0.226 375 D C 1.210 177.520 176.300 0.016 0.000 1.066 375 D CA 0.473 54.514 54.000 0.068 0.000 0.861 375 D CB -0.618 40.219 40.800 0.061 0.000 0.912 375 D HN 0.329 nan 8.370 nan 0.000 0.521 376 E N -0.799 119.354 120.200 -0.079 0.000 2.340 376 E HA 0.025 4.376 4.350 0.001 0.000 0.194 376 E C 0.867 177.529 176.600 0.103 0.000 0.996 376 E CA 0.115 56.486 56.400 -0.050 0.000 0.869 376 E CB 0.013 29.633 29.700 -0.133 0.000 0.835 376 E HN 0.228 nan 8.360 nan 0.000 0.493 377 F N 1.986 121.968 119.950 0.053 0.000 2.293 377 F HA -0.024 4.503 4.527 0.000 0.000 0.297 377 F C 2.330 178.142 175.800 0.019 0.000 1.089 377 F CA 0.788 58.803 58.000 0.025 0.000 1.377 377 F CB -0.532 38.529 39.000 0.101 0.000 1.051 377 F HN -0.025 nan 8.300 nan 0.000 0.511 378 K N 0.473 121.020 120.400 0.246 0.000 2.097 378 K HA -0.082 4.238 4.320 0.001 0.000 0.206 378 K C -1.030 175.619 176.600 0.082 0.000 1.049 378 K CA 1.204 57.584 56.287 0.155 0.000 0.933 378 K CB -1.711 30.876 32.500 0.145 0.000 0.717 378 K HN 0.122 nan 8.250 nan 0.000 0.442 379 P HA -0.111 nan 4.420 nan 0.000 0.217 379 P C 1.371 178.678 177.300 0.011 0.000 1.150 379 P CA 1.075 64.197 63.100 0.037 0.000 0.832 379 P CB -0.000 31.721 31.700 0.034 0.000 0.787 380 L N -1.334 119.896 121.223 0.011 0.000 2.093 380 L HA -0.111 4.229 4.340 0.001 0.000 0.208 380 L C 2.369 179.164 176.870 -0.126 0.000 1.085 380 L CA 1.171 55.980 54.840 -0.050 0.000 0.755 380 L CB -1.036 40.992 42.059 -0.051 0.000 0.904 380 L HN -0.129 nan 8.230 nan 0.000 0.435 381 V N -0.075 119.755 119.914 -0.141 0.000 2.307 381 V HA -0.268 3.853 4.120 0.001 0.000 0.245 381 V C 2.369 178.413 176.094 -0.085 0.000 1.045 381 V CA 1.694 63.868 62.300 -0.209 0.000 1.024 381 V CB -0.428 31.301 31.823 -0.156 0.000 0.651 381 V HN 0.422 nan 8.190 nan 0.000 0.449 382 E N -0.285 119.902 120.200 -0.021 0.000 2.065 382 E HA -0.297 4.053 4.350 0.001 0.000 0.201 382 E C 2.407 179.009 176.600 0.003 0.000 1.016 382 E CA 1.793 58.198 56.400 0.009 0.000 0.818 382 E CB -0.194 29.519 29.700 0.021 0.000 0.749 382 E HN 0.565 nan 8.360 nan 0.000 0.453 383 E N -0.021 120.174 120.200 -0.009 0.000 2.047 383 E HA -0.112 4.238 4.350 0.001 0.000 0.191 383 E C -0.746 175.857 176.600 0.005 0.000 0.987 383 E CA 1.149 57.549 56.400 0.000 0.000 0.799 383 E CB -0.823 28.873 29.700 -0.005 0.000 0.752 383 E HN 0.155 nan 8.360 nan 0.000 0.449 384 P HA -0.156 nan 4.420 nan 0.000 0.214 384 P C 1.537 178.851 177.300 0.022 0.000 1.163 384 P CA 1.613 64.713 63.100 0.000 0.000 0.889 384 P CB -0.210 31.470 31.700 -0.033 0.000 0.790 385 Q N -0.563 119.250 119.800 0.020 0.000 2.061 385 Q HA -0.213 4.127 4.340 0.001 0.000 0.204 385 Q C 2.012 178.040 176.000 0.047 0.000 0.984 385 Q CA 1.862 57.691 55.803 0.044 0.000 0.846 385 Q CB -0.858 27.912 28.738 0.054 0.000 0.902 385 Q HN 0.459 nan 8.270 nan 0.000 0.421 386 N N 0.317 119.042 118.700 0.041 0.000 2.166 386 N HA -0.152 4.588 4.740 0.001 0.000 0.186 386 N C 1.654 177.195 175.510 0.051 0.000 1.019 386 N CA 0.594 53.670 53.050 0.043 0.000 0.856 386 N CB -0.036 38.473 38.487 0.037 0.000 0.993 386 N HN 0.055 nan 8.380 nan 0.000 0.426 387 L N 0.573 121.827 121.223 0.052 0.000 2.131 387 L HA 0.005 4.345 4.340 0.001 0.000 0.206 387 L C 1.671 178.590 176.870 0.081 0.000 1.087 387 L CA 0.837 55.717 54.840 0.066 0.000 0.767 387 L CB -0.113 41.984 42.059 0.064 0.000 0.917 387 L HN 0.171 nan 8.230 nan 0.000 0.441 388 I N 0.197 120.811 120.570 0.072 0.000 2.226 388 I HA -0.289 3.881 4.170 0.001 0.000 0.245 388 I C 2.435 178.596 176.117 0.073 0.000 1.100 388 I CA 1.613 62.958 61.300 0.076 0.000 1.374 388 I CB -1.408 36.631 38.000 0.065 0.000 1.057 388 I HN 0.446 nan 8.210 nan 0.000 0.413 389 K N 1.231 121.670 120.400 0.065 0.000 2.062 389 K HA -0.241 4.080 4.320 0.001 0.000 0.205 389 K C 2.162 178.804 176.600 0.070 0.000 1.051 389 K CA 1.442 57.766 56.287 0.060 0.000 0.941 389 K CB -0.411 32.120 32.500 0.052 0.000 0.719 389 K HN 0.094 nan 8.250 nan 0.000 0.440 390 Q N 1.260 121.105 119.800 0.076 0.000 2.045 390 Q HA -0.171 4.169 4.340 0.001 0.000 0.206 390 Q C 1.729 177.804 176.000 0.125 0.000 0.991 390 Q CA 2.394 58.249 55.803 0.088 0.000 0.851 390 Q CB -0.156 28.632 28.738 0.084 0.000 0.911 390 Q HN 0.488 nan 8.270 nan 0.000 0.418 391 N N -1.103 117.689 118.700 0.153 0.000 2.354 391 N HA -0.085 4.656 4.740 0.001 0.000 0.179 391 N C 1.641 177.258 175.510 0.178 0.000 1.021 391 N CA 1.080 54.280 53.050 0.251 0.000 0.887 391 N CB -0.107 38.556 38.487 0.292 0.000 0.974 391 N HN 0.321 nan 8.380 nan 0.000 0.437 392 c N 1.334 119.990 118.600 0.093 0.000 2.457 392 c HA 0.009 4.580 4.570 0.001 0.000 0.278 392 c C 2.533 176.661 174.090 0.064 0.000 1.309 392 c CA 0.270 56.628 56.329 0.049 0.000 1.735 392 c CB -0.683 41.848 42.510 0.036 0.000 1.992 392 c HN 0.475 nan 8.230 nan 0.000 0.493 393 E N 0.508 120.745 120.200 0.062 0.000 2.033 393 E HA -0.285 4.065 4.350 0.001 0.000 0.199 393 E C 1.970 178.592 176.600 0.038 0.000 1.011 393 E CA 1.363 57.790 56.400 0.045 0.000 0.815 393 E CB -0.358 29.373 29.700 0.051 0.000 0.755 393 E HN 0.435 nan 8.360 nan 0.000 0.451 394 L N 0.404 121.683 121.223 0.092 0.000 2.042 394 L HA -0.190 4.151 4.340 0.001 0.000 0.210 394 L C 2.162 179.053 176.870 0.034 0.000 1.076 394 L CA 1.595 56.516 54.840 0.135 0.000 0.749 394 L CB -0.461 41.779 42.059 0.301 0.000 0.893 394 L HN 0.148 nan 8.230 nan 0.000 0.432 395 F N -0.109 119.610 119.950 -0.385 0.000 2.186 395 F HA -0.143 4.385 4.527 0.001 0.000 0.299 395 F C 2.271 177.861 175.800 -0.350 0.000 1.090 395 F CA 1.363 58.885 58.000 -0.797 0.000 1.307 395 F CB -0.170 38.016 39.000 -1.356 0.000 1.019 395 F HN 0.106 nan 8.300 nan 0.000 0.489 396 E N 0.679 120.682 120.200 -0.327 0.000 2.051 396 E HA -0.235 4.115 4.350 0.001 0.000 0.192 396 E C 2.191 178.620 176.600 -0.286 0.000 0.991 396 E CA 1.516 57.718 56.400 -0.330 0.000 0.799 396 E CB -0.705 28.928 29.700 -0.111 0.000 0.748 396 E HN 0.627 nan 8.360 nan 0.000 0.449 397 Q N -0.132 119.566 119.800 -0.169 0.000 2.084 397 Q HA -0.076 4.264 4.340 0.001 0.000 0.202 397 Q C 2.352 178.281 176.000 -0.118 0.000 0.978 397 Q CA 1.057 56.797 55.803 -0.105 0.000 0.844 397 Q CB 0.004 28.720 28.738 -0.037 0.000 0.898 397 Q HN 0.273 nan 8.270 nan 0.000 0.426 398 L N -1.423 119.716 121.223 -0.139 0.000 2.425 398 L HA 0.220 4.561 4.340 0.001 0.000 0.215 398 L C 0.961 177.754 176.870 -0.129 0.000 1.065 398 L CA 0.345 55.141 54.840 -0.073 0.000 0.842 398 L CB 0.184 42.273 42.059 0.050 0.000 1.033 398 L HN 0.294 nan 8.230 nan 0.000 0.474 399 G N 0.335 108.924 108.800 -0.351 0.000 2.746 399 G HA2 -0.240 3.720 3.960 0.001 0.000 0.685 399 G HA3 -0.240 3.720 3.960 0.001 0.000 0.685 399 G C 0.235 175.097 174.900 -0.063 0.000 1.350 399 G CA 0.055 44.933 45.100 -0.370 0.000 0.837 399 G HN 0.177 nan 8.290 nan 0.000 0.564 400 E N -0.725 119.565 120.200 0.150 0.000 2.031 400 E HA -0.208 4.142 4.350 0.001 0.000 0.193 400 E C 2.075 178.919 176.600 0.407 0.000 0.994 400 E CA 1.942 58.623 56.400 0.468 0.000 0.800 400 E CB -0.172 29.781 29.700 0.421 0.000 0.752 400 E HN 0.639 nan 8.360 nan 0.000 0.447 401 Y N 1.863 122.270 120.300 0.178 0.000 2.081 401 Y HA -0.248 4.303 4.550 0.001 0.000 0.280 401 Y C 1.961 177.947 175.900 0.144 0.000 1.163 401 Y CA 2.019 60.201 58.100 0.137 0.000 1.135 401 Y CB -0.245 38.270 38.460 0.091 0.000 0.970 401 Y HN -0.078 nan 8.280 nan 0.000 0.498 402 K N -1.117 119.207 120.400 -0.126 0.000 2.147 402 K HA -0.184 4.136 4.320 0.001 0.000 0.205 402 K C 2.084 178.681 176.600 -0.005 0.000 1.049 402 K CA 1.469 57.628 56.287 -0.213 0.000 0.936 402 K CB -0.642 31.819 32.500 -0.065 0.000 0.722 402 K HN 0.331 nan 8.250 nan 0.000 0.446 403 F N 2.933 122.878 119.950 -0.008 0.000 2.102 403 F HA -0.202 4.326 4.527 0.001 0.000 0.298 403 F C 2.279 178.110 175.800 0.052 0.000 1.105 403 F CA 1.511 59.557 58.000 0.076 0.000 1.239 403 F CB -0.287 38.859 39.000 0.244 0.000 0.991 403 F HN 0.026 nan 8.300 nan 0.000 0.474 404 Q N 0.076 119.905 119.800 0.049 0.000 2.014 404 Q HA -0.267 4.074 4.340 0.001 0.000 0.207 404 Q C 1.984 177.912 176.000 -0.119 0.000 0.993 404 Q CA 1.879 57.644 55.803 -0.064 0.000 0.850 404 Q CB -0.492 28.291 28.738 0.076 0.000 0.916 404 Q HN 0.397 nan 8.270 nan 0.000 0.417 405 N N 0.599 119.220 118.700 -0.133 0.000 2.091 405 N HA -0.218 4.523 4.740 0.001 0.000 0.193 405 N C 1.577 177.030 175.510 -0.094 0.000 1.021 405 N CA 1.579 54.548 53.050 -0.134 0.000 0.862 405 N CB -0.530 37.815 38.487 -0.236 0.000 1.018 405 N HN 0.310 nan 8.380 nan 0.000 0.429 406 A N 0.808 123.566 122.820 -0.103 0.000 1.902 406 A HA -0.025 4.295 4.320 0.001 0.000 0.217 406 A C 2.363 179.890 177.584 -0.093 0.000 1.181 406 A CA 0.922 52.914 52.037 -0.075 0.000 0.623 406 A CB -0.572 18.404 19.000 -0.041 0.000 0.818 406 A HN 0.232 nan 8.150 nan 0.000 0.443 407 L N -0.903 120.212 121.223 -0.180 0.000 2.131 407 L HA -0.041 4.300 4.340 0.001 0.000 0.206 407 L C 2.509 179.362 176.870 -0.029 0.000 1.087 407 L CA 0.402 55.169 54.840 -0.123 0.000 0.767 407 L CB -0.490 41.404 42.059 -0.276 0.000 0.917 407 L HN 0.368 nan 8.230 nan 0.000 0.441 408 L N -0.236 120.948 121.223 -0.065 0.000 1.997 408 L HA -0.295 4.046 4.340 0.001 0.000 0.216 408 L C 2.532 179.409 176.870 0.011 0.000 1.074 408 L CA 1.619 56.444 54.840 -0.024 0.000 0.763 408 L CB -0.281 41.764 42.059 -0.023 0.000 0.890 408 L HN 0.101 nan 8.230 nan 0.000 0.434 409 V N -0.823 119.093 119.914 0.003 0.000 2.358 409 V HA -0.264 3.856 4.120 0.001 0.000 0.246 409 V C 2.544 178.645 176.094 0.012 0.000 1.047 409 V CA 1.638 63.945 62.300 0.011 0.000 1.035 409 V CB -0.597 31.233 31.823 0.011 0.000 0.658 409 V HN 0.414 nan 8.190 nan 0.000 0.452 410 R N -1.193 119.321 120.500 0.023 0.000 2.083 410 R HA -0.195 4.145 4.340 0.001 0.000 0.237 410 R C 2.306 178.594 176.300 -0.021 0.000 1.137 410 R CA 2.123 58.232 56.100 0.015 0.000 0.951 410 R CB -0.313 30.017 30.300 0.051 0.000 0.851 410 R HN 0.530 nan 8.270 nan 0.000 0.434 411 Y N -0.347 119.903 120.300 -0.084 0.000 2.337 411 Y HA -0.068 4.482 4.550 0.000 0.000 0.293 411 Y C 2.444 178.285 175.900 -0.100 0.000 1.123 411 Y CA 1.417 59.458 58.100 -0.098 0.000 1.201 411 Y CB -0.107 38.270 38.460 -0.139 0.000 1.011 411 Y HN 0.076 nan 8.280 nan 0.000 0.545 412 T N -0.086 114.487 114.554 0.032 0.000 2.720 412 T HA -0.190 4.160 4.350 0.001 0.000 0.268 412 T C 1.759 176.393 174.700 -0.110 0.000 1.037 412 T CA 1.630 63.701 62.100 -0.047 0.000 1.144 412 T CB -0.153 68.692 68.868 -0.039 0.000 0.864 412 T HN 0.282 nan 8.240 nan 0.000 0.444 413 K N 0.529 120.878 120.400 -0.085 0.000 2.217 413 K HA 0.028 4.348 4.320 0.001 0.000 0.202 413 K C 2.355 178.886 176.600 -0.115 0.000 1.051 413 K CA 0.746 56.977 56.287 -0.094 0.000 0.952 413 K CB -0.023 32.446 32.500 -0.051 0.000 0.736 413 K HN 0.114 nan 8.250 nan 0.000 0.453 414 K N 0.689 121.006 120.400 -0.139 0.000 2.001 414 K HA -0.088 4.232 4.320 0.001 0.000 0.208 414 K C 0.800 177.330 176.600 -0.115 0.000 1.048 414 K CA 1.163 57.354 56.287 -0.160 0.000 0.932 414 K CB 0.376 32.688 32.500 -0.313 0.000 0.715 414 K HN 0.079 nan 8.250 nan 0.000 0.437 415 V N -2.070 117.776 119.914 -0.114 0.000 2.464 415 V HA 0.356 4.476 4.120 0.001 0.000 0.255 415 V C -2.448 173.548 176.094 -0.163 0.000 0.946 415 V CA -1.386 60.856 62.300 -0.097 0.000 0.988 415 V CB 1.063 32.865 31.823 -0.035 0.000 1.210 415 V HN 0.011 nan 8.190 nan 0.000 0.523 416 P HA -0.099 nan 4.420 nan 0.000 0.228 416 P C 0.947 178.001 177.300 -0.409 0.000 1.151 416 P CA 1.121 63.901 63.100 -0.532 0.000 0.770 416 P CB 0.355 31.315 31.700 -1.232 0.000 0.786 417 Q N -0.771 118.910 119.800 -0.198 0.000 2.451 417 Q HA 0.077 4.418 4.340 0.001 0.000 0.206 417 Q C 0.692 176.705 176.000 0.022 0.000 0.947 417 Q CA 0.141 55.938 55.803 -0.009 0.000 0.937 417 Q CB -0.282 28.505 28.738 0.082 0.000 1.025 417 Q HN 0.103 nan 8.270 nan 0.000 0.511 418 V N 1.619 121.528 119.914 -0.008 0.000 2.811 418 V HA 0.062 4.183 4.120 0.001 0.000 0.302 418 V C 0.612 176.707 176.094 0.001 0.000 1.063 418 V CA -0.418 61.901 62.300 0.031 0.000 1.088 418 V CB 1.289 33.117 31.823 0.008 0.000 0.982 418 V HN 0.366 nan 8.190 nan 0.000 0.485 419 S N 2.789 118.498 115.700 0.015 0.000 2.568 419 S HA 0.001 4.472 4.470 0.001 0.000 0.282 419 S C 1.167 175.749 174.600 -0.030 0.000 1.338 419 S CA 0.339 58.533 58.200 -0.011 0.000 1.045 419 S CB 0.890 64.085 63.200 -0.008 0.000 0.873 419 S HN 0.776 nan 8.310 nan 0.000 0.516 420 T N 3.854 118.381 114.554 -0.046 0.000 2.708 420 T HA -0.001 4.350 4.350 0.001 0.000 0.266 420 T C -0.918 173.757 174.700 -0.042 0.000 1.037 420 T CA 1.762 63.830 62.100 -0.053 0.000 1.146 420 T CB -1.413 67.410 68.868 -0.074 0.000 0.865 420 T HN 0.636 nan 8.240 nan 0.000 0.435 421 P HA -0.019 nan 4.420 nan 0.000 0.218 421 P C 1.522 178.803 177.300 -0.032 0.000 1.149 421 P CA 1.144 64.224 63.100 -0.033 0.000 0.817 421 P CB -0.301 31.379 31.700 -0.034 0.000 0.785 422 T N 0.007 114.542 114.554 -0.031 0.000 2.708 422 T HA -0.106 4.244 4.350 0.001 0.000 0.266 422 T C 1.763 176.431 174.700 -0.053 0.000 1.037 422 T CA 1.146 63.225 62.100 -0.035 0.000 1.146 422 T CB -0.985 67.874 68.868 -0.015 0.000 0.865 422 T HN 0.067 nan 8.240 nan 0.000 0.435 423 L N 0.644 121.838 121.223 -0.048 0.000 2.083 423 L HA -0.086 4.255 4.340 0.001 0.000 0.209 423 L C 2.631 179.465 176.870 -0.061 0.000 1.083 423 L CA 0.758 55.563 54.840 -0.058 0.000 0.752 423 L CB -0.631 41.404 42.059 -0.041 0.000 0.899 423 L HN 0.145 nan 8.230 nan 0.000 0.433 424 V N -0.233 119.657 119.914 -0.040 0.000 2.270 424 V HA -0.287 3.833 4.120 0.001 0.000 0.245 424 V C 2.469 178.544 176.094 -0.030 0.000 1.043 424 V CA 2.024 64.311 62.300 -0.022 0.000 1.014 424 V CB -0.384 31.437 31.823 -0.003 0.000 0.645 424 V HN 0.498 nan 8.190 nan 0.000 0.447 425 E N -0.161 120.016 120.200 -0.037 0.000 2.110 425 E HA -0.180 4.170 4.350 0.001 0.000 0.193 425 E C 2.114 178.673 176.600 -0.067 0.000 0.988 425 E CA 1.527 57.904 56.400 -0.038 0.000 0.804 425 E CB 0.075 29.753 29.700 -0.037 0.000 0.745 425 E HN 0.435 nan 8.360 nan 0.000 0.458 426 V N 0.185 120.032 119.914 -0.110 0.000 2.302 426 V HA -0.176 3.945 4.120 0.001 0.000 0.243 426 V C 2.337 178.300 176.094 -0.219 0.000 1.036 426 V CA 1.739 63.928 62.300 -0.183 0.000 1.020 426 V CB -0.323 31.355 31.823 -0.241 0.000 0.657 426 V HN 0.223 nan 8.190 nan 0.000 0.453 427 S N -0.246 115.329 115.700 -0.208 0.000 2.356 427 S HA -0.184 4.287 4.470 0.001 0.000 0.223 427 S C 2.073 176.599 174.600 -0.124 0.000 1.032 427 S CA 1.382 59.453 58.200 -0.215 0.000 1.005 427 S CB -0.351 62.758 63.200 -0.151 0.000 0.867 427 S HN 0.469 nan 8.310 nan 0.000 0.449 428 R N 1.339 121.807 120.500 -0.053 0.000 2.119 428 R HA -0.109 4.231 4.340 0.001 0.000 0.246 428 R C 1.866 178.184 176.300 0.030 0.000 1.146 428 R CA 1.676 57.784 56.100 0.013 0.000 0.962 428 R CB -0.467 29.855 30.300 0.037 0.000 0.863 428 R HN 0.364 nan 8.270 nan 0.000 0.442 429 N N 0.479 119.181 118.700 0.003 0.000 2.207 429 N HA -0.048 4.692 4.740 0.001 0.000 0.182 429 N C 1.915 177.498 175.510 0.122 0.000 1.020 429 N CA 0.786 53.876 53.050 0.067 0.000 0.858 429 N CB -0.288 38.200 38.487 0.003 0.000 0.991 429 N HN 0.140 nan 8.380 nan 0.000 0.427 430 L N 0.458 121.658 121.223 -0.039 0.000 1.997 430 L HA -0.178 4.162 4.340 0.001 0.000 0.216 430 L C 2.374 179.282 176.870 0.063 0.000 1.074 430 L CA 1.750 56.569 54.840 -0.035 0.000 0.763 430 L CB -1.191 40.704 42.059 -0.274 0.000 0.890 430 L HN 0.254 nan 8.230 nan 0.000 0.434 431 G N -0.226 108.564 108.800 -0.018 0.000 2.450 431 G HA2 -0.259 3.701 3.960 0.001 0.000 0.220 431 G HA3 -0.259 3.701 3.960 0.001 0.000 0.220 431 G C 1.586 176.626 174.900 0.234 0.000 1.130 431 G CA 0.534 45.673 45.100 0.065 0.000 0.760 431 G HN 0.352 nan 8.290 nan 0.000 0.557 432 K N -0.044 120.435 120.400 0.131 0.000 2.574 432 K HA 0.129 4.449 4.320 0.001 0.000 0.193 432 K C 2.187 178.648 176.600 -0.232 0.000 1.035 432 K CA 0.046 56.340 56.287 0.011 0.000 0.982 432 K CB 0.107 32.636 32.500 0.048 0.000 0.795 432 K HN 0.226 nan 8.250 nan 0.000 0.491 433 V N 0.563 120.369 119.914 -0.180 0.000 2.515 433 V HA -0.136 3.984 4.120 0.001 0.000 0.250 433 V C 2.006 177.866 176.094 -0.390 0.000 1.058 433 V CA 2.156 64.250 62.300 -0.345 0.000 1.064 433 V CB -0.425 31.393 31.823 -0.007 0.000 0.675 433 V HN 0.464 nan 8.190 nan 0.000 0.461 434 G N -0.420 108.066 108.800 -0.524 0.000 2.491 434 G HA2 -0.287 3.674 3.960 0.001 0.000 0.218 434 G HA3 -0.287 3.674 3.960 0.001 0.000 0.218 434 G C 1.773 175.914 174.900 -1.265 0.000 1.180 434 G CA 1.337 45.580 45.100 -1.429 0.000 0.774 434 G HN 0.577 nan 8.290 nan 0.000 0.562 435 S N 0.489 115.724 115.700 -0.774 0.000 2.355 435 S HA -0.038 4.432 4.470 0.001 0.000 0.222 435 S C 2.157 176.590 174.600 -0.278 0.000 1.031 435 S CA 1.297 59.312 58.200 -0.309 0.000 0.993 435 S CB -0.219 62.922 63.200 -0.098 0.000 0.859 435 S HN 0.409 nan 8.310 nan 0.000 0.453 436 K N 0.213 120.424 120.400 -0.315 0.000 2.015 436 K HA -0.145 4.175 4.320 0.001 0.000 0.216 436 K C 2.163 178.600 176.600 -0.272 0.000 1.052 436 K CA 1.910 58.035 56.287 -0.270 0.000 0.937 436 K CB -0.307 31.971 32.500 -0.370 0.000 0.719 436 K HN 0.392 nan 8.250 nan 0.000 0.446 437 c N -1.191 117.244 118.600 -0.276 0.000 2.563 437 c HA 0.097 4.667 4.570 0.001 0.000 0.346 437 c C 2.696 176.686 174.090 -0.166 0.000 1.334 437 c CA -0.536 55.709 56.329 -0.141 0.000 1.938 437 c CB -0.345 42.132 42.510 -0.055 0.000 2.445 437 c HN 0.578 nan 8.230 nan 0.000 0.541 438 c N 1.410 119.883 118.600 -0.210 0.000 2.422 438 c HA -0.086 4.485 4.570 0.001 0.000 0.286 438 c C 2.675 176.717 174.090 -0.080 0.000 1.412 438 c CA 1.178 57.441 56.329 -0.109 0.000 1.786 438 c CB -1.187 41.273 42.510 -0.082 0.000 1.835 438 c HN 0.625 nan 8.230 nan 0.000 0.533 439 K N 0.978 121.273 120.400 -0.174 0.000 2.063 439 K HA -0.097 4.223 4.320 0.001 0.000 0.208 439 K C 1.043 177.570 176.600 -0.121 0.000 1.048 439 K CA 1.306 57.493 56.287 -0.167 0.000 0.928 439 K CB -0.502 31.844 32.500 -0.257 0.000 0.713 439 K HN 0.545 nan 8.250 nan 0.000 0.442 440 H N 0.985 120.046 119.070 -0.015 0.000 2.801 440 H HA 0.073 4.630 4.556 0.001 0.000 0.377 440 H C -1.910 173.415 175.328 -0.005 0.000 1.304 440 H CA -1.464 54.577 56.048 -0.012 0.000 1.451 440 H CB -0.509 29.242 29.762 -0.017 0.000 1.474 440 H HN 0.245 nan 8.280 nan 0.000 0.620 441 P HA 0.049 nan 4.420 nan 0.000 0.275 441 P C 0.077 177.417 177.300 0.067 0.000 1.266 441 P CA -0.257 62.886 63.100 0.073 0.000 0.793 441 P CB 0.899 32.625 31.700 0.043 0.000 1.074 442 E N -0.009 120.219 120.200 0.047 0.000 2.265 442 E HA -0.128 4.223 4.350 0.001 0.000 0.196 442 E C 2.002 178.627 176.600 0.041 0.000 0.996 442 E CA 1.567 57.996 56.400 0.047 0.000 0.832 442 E CB -0.600 29.126 29.700 0.043 0.000 0.756 442 E HN 0.459 nan 8.360 nan 0.000 0.491 443 A N 1.581 124.412 122.820 0.019 0.000 1.841 443 A HA -0.186 4.134 4.320 0.001 0.000 0.214 443 A C 1.995 179.571 177.584 -0.014 0.000 1.195 443 A CA 1.341 53.375 52.037 -0.005 0.000 0.611 443 A CB -0.259 18.721 19.000 -0.033 0.000 0.835 443 A HN 0.017 nan 8.150 nan 0.000 0.443 444 K N -0.842 119.538 120.400 -0.034 0.000 2.365 444 K HA -0.022 4.298 4.320 0.001 0.000 0.199 444 K C 2.262 178.842 176.600 -0.033 0.000 1.045 444 K CA 0.513 56.741 56.287 -0.100 0.000 0.962 444 K CB -0.090 32.256 32.500 -0.257 0.000 0.759 444 K HN 0.364 nan 8.250 nan 0.000 0.469 445 R N 0.380 120.907 120.500 0.046 0.000 2.070 445 R HA -0.062 4.278 4.340 0.001 0.000 0.232 445 R C 2.363 178.704 176.300 0.067 0.000 1.138 445 R CA 1.439 57.590 56.100 0.084 0.000 0.936 445 R CB -0.163 30.183 30.300 0.077 0.000 0.839 445 R HN 0.184 nan 8.270 nan 0.000 0.429 446 M N 0.874 120.513 119.600 0.066 0.000 2.080 446 M HA -0.095 4.385 4.480 0.001 0.000 0.260 446 M C -0.917 175.420 176.300 0.062 0.000 1.068 446 M CA 1.698 57.040 55.300 0.071 0.000 1.109 446 M CB -0.794 31.863 32.600 0.094 0.000 1.342 446 M HN -0.012 nan 8.290 nan 0.000 0.405 447 P HA -0.084 nan 4.420 nan 0.000 0.220 447 P C 1.770 179.095 177.300 0.041 0.000 1.152 447 P CA 1.133 64.251 63.100 0.031 0.000 0.812 447 P CB -0.454 31.244 31.700 -0.004 0.000 0.792 448 c N 0.316 118.940 118.600 0.040 0.000 2.413 448 c HA -0.021 4.550 4.570 0.001 0.000 0.277 448 c C 2.989 177.140 174.090 0.101 0.000 1.228 448 c CA 1.900 58.270 56.329 0.068 0.000 1.731 448 c CB -1.604 40.972 42.510 0.109 0.000 2.042 448 c HN 0.259 nan 8.230 nan 0.000 0.468 449 A N -0.748 122.128 122.820 0.093 0.000 1.871 449 A HA -0.019 4.301 4.320 0.001 0.000 0.211 449 A C 2.156 179.831 177.584 0.151 0.000 1.207 449 A CA 1.289 53.395 52.037 0.115 0.000 0.620 449 A CB -0.912 18.134 19.000 0.076 0.000 0.860 449 A HN 0.721 nan 8.150 nan 0.000 0.450 450 E N -0.153 120.109 120.200 0.103 0.000 2.204 450 E HA -0.185 4.165 4.350 0.001 0.000 0.194 450 E C 0.874 177.523 176.600 0.083 0.000 0.989 450 E CA 1.129 57.579 56.400 0.083 0.000 0.824 450 E CB -0.015 29.714 29.700 0.049 0.000 0.756 450 E HN 0.518 nan 8.360 nan 0.000 0.477 451 D N -0.511 119.949 120.400 0.100 0.000 2.234 451 D HA -0.139 4.501 4.640 0.001 0.000 0.205 451 D C 1.508 177.881 176.300 0.121 0.000 0.962 451 D CA 0.586 54.651 54.000 0.109 0.000 0.855 451 D CB -0.155 40.716 40.800 0.117 0.000 0.951 451 D HN 0.292 nan 8.370 nan 0.000 0.500 452 Y N 1.671 121.989 120.300 0.030 0.000 2.200 452 Y HA -0.092 4.459 4.550 0.001 0.000 0.290 452 Y C 2.143 178.041 175.900 -0.003 0.000 1.137 452 Y CA 1.206 59.316 58.100 0.016 0.000 1.163 452 Y CB -0.312 38.157 38.460 0.013 0.000 0.988 452 Y HN -0.145 nan 8.280 nan 0.000 0.518 453 L N -0.988 120.241 121.223 0.011 0.000 2.201 453 L HA -0.177 4.163 4.340 0.001 0.000 0.212 453 L C 2.476 179.278 176.870 -0.113 0.000 1.105 453 L CA 1.125 55.914 54.840 -0.085 0.000 0.775 453 L CB -0.667 41.420 42.059 0.047 0.000 0.913 453 L HN 0.120 nan 8.230 nan 0.000 0.440 454 S N -0.255 115.411 115.700 -0.056 0.000 2.370 454 S HA -0.157 4.313 4.470 0.001 0.000 0.226 454 S C 2.063 176.597 174.600 -0.111 0.000 1.033 454 S CA 1.256 59.427 58.200 -0.049 0.000 1.011 454 S CB -0.201 62.991 63.200 -0.014 0.000 0.852 454 S HN 0.168 nan 8.310 nan 0.000 0.457 455 V N 1.293 121.104 119.914 -0.172 0.000 2.343 455 V HA -0.114 4.006 4.120 0.001 0.000 0.247 455 V C 2.224 178.154 176.094 -0.273 0.000 1.051 455 V CA 1.379 63.550 62.300 -0.216 0.000 1.036 455 V CB -0.546 31.143 31.823 -0.223 0.000 0.654 455 V HN 0.342 nan 8.190 nan 0.000 0.451 456 V N -0.368 119.310 119.914 -0.393 0.000 2.453 456 V HA -0.155 3.966 4.120 0.001 0.000 0.247 456 V C 2.181 178.115 176.094 -0.267 0.000 1.048 456 V CA 1.495 63.575 62.300 -0.367 0.000 1.049 456 V CB -0.433 31.111 31.823 -0.464 0.000 0.672 456 V HN 0.443 nan 8.190 nan 0.000 0.457 457 L N 0.356 121.442 121.223 -0.228 0.000 2.217 457 L HA -0.117 4.224 4.340 0.001 0.000 0.211 457 L C 2.381 179.198 176.870 -0.088 0.000 1.107 457 L CA 1.411 56.133 54.840 -0.198 0.000 0.783 457 L CB -0.729 41.277 42.059 -0.088 0.000 0.919 457 L HN 0.393 nan 8.230 nan 0.000 0.442 458 N N 0.172 118.827 118.700 -0.075 0.000 2.069 458 N HA -0.249 4.492 4.740 0.001 0.000 0.191 458 N C 1.893 177.365 175.510 -0.064 0.000 1.031 458 N CA 1.395 54.416 53.050 -0.048 0.000 0.852 458 N CB -0.050 38.390 38.487 -0.079 0.000 1.018 458 N HN 0.243 nan 8.380 nan 0.000 0.423 459 Q N -0.431 119.306 119.800 -0.105 0.000 2.029 459 Q HA -0.228 4.112 4.340 0.001 0.000 0.209 459 Q C 2.032 177.987 176.000 -0.076 0.000 0.999 459 Q CA 1.999 57.743 55.803 -0.098 0.000 0.857 459 Q CB -0.401 28.262 28.738 -0.125 0.000 0.926 459 Q HN 0.457 nan 8.270 nan 0.000 0.415 460 L N 0.376 121.533 121.223 -0.110 0.000 2.042 460 L HA -0.216 4.125 4.340 0.001 0.000 0.210 460 L C 2.357 179.230 176.870 0.006 0.000 1.076 460 L CA 1.871 56.655 54.840 -0.094 0.000 0.749 460 L CB -0.934 40.992 42.059 -0.221 0.000 0.893 460 L HN 0.362 nan 8.230 nan 0.000 0.432 461 c N -1.012 117.613 118.600 0.041 0.000 2.386 461 c HA -0.222 4.348 4.570 0.001 0.000 0.279 461 c C 2.879 177.034 174.090 0.107 0.000 1.208 461 c CA 1.600 57.999 56.329 0.117 0.000 1.747 461 c CB -1.383 41.200 42.510 0.122 0.000 2.046 461 c HN 0.652 nan 8.230 nan 0.000 0.453 462 V N 0.425 120.363 119.914 0.040 0.000 2.332 462 V HA -0.218 3.902 4.120 0.001 0.000 0.248 462 V C 2.118 178.230 176.094 0.031 0.000 1.055 462 V CA 2.240 64.549 62.300 0.015 0.000 1.038 462 V CB -1.193 30.607 31.823 -0.040 0.000 0.651 462 V HN 0.633 nan 8.190 nan 0.000 0.450 463 L N -0.119 121.122 121.223 0.029 0.000 2.131 463 L HA -0.165 4.176 4.340 0.001 0.000 0.210 463 L C 2.738 179.646 176.870 0.065 0.000 1.092 463 L CA 2.305 57.162 54.840 0.028 0.000 0.759 463 L CB -0.866 41.198 42.059 0.008 0.000 0.903 463 L HN 0.520 nan 8.230 nan 0.000 0.435 464 H N -0.111 118.957 119.070 -0.003 0.000 2.372 464 H HA -0.138 4.418 4.556 0.000 0.000 0.301 464 H C 2.220 177.556 175.328 0.014 0.000 1.065 464 H CA 1.537 57.591 56.048 0.011 0.000 1.364 464 H CB 0.198 29.979 29.762 0.032 0.000 1.406 464 H HN 0.216 nan 8.280 nan 0.000 0.521 465 E N 0.753 120.974 120.200 0.036 0.000 2.114 465 E HA -0.312 4.038 4.350 0.001 0.000 0.199 465 E C 2.138 178.694 176.600 -0.073 0.000 1.008 465 E CA 1.528 57.913 56.400 -0.025 0.000 0.810 465 E CB -0.086 29.630 29.700 0.025 0.000 0.739 465 E HN 0.453 nan 8.360 nan 0.000 0.456 466 K N -0.336 120.036 120.400 -0.048 0.000 2.074 466 K HA -0.140 4.180 4.320 0.001 0.000 0.209 466 K C 0.362 176.917 176.600 -0.074 0.000 1.048 466 K CA 1.775 58.038 56.287 -0.040 0.000 0.926 466 K CB 0.026 32.514 32.500 -0.021 0.000 0.713 466 K HN 0.207 nan 8.250 nan 0.000 0.444 467 T N -0.112 114.365 114.554 -0.129 0.000 3.477 467 T HA 0.288 4.639 4.350 0.001 0.000 0.277 467 T C -2.843 171.701 174.700 -0.259 0.000 1.090 467 T CA -1.563 60.453 62.100 -0.140 0.000 1.635 467 T CB 1.322 70.141 68.868 -0.083 0.000 0.817 467 T HN -0.031 nan 8.240 nan 0.000 0.609 468 P HA 0.373 nan 4.420 nan 0.000 0.276 468 P C 0.330 177.503 177.300 -0.212 0.000 1.230 468 P CA -0.349 62.351 63.100 -0.667 0.000 0.776 468 P CB 2.043 33.477 31.700 -0.444 0.000 0.888 469 V N 1.039 120.949 119.914 -0.007 0.000 3.251 469 V HA 0.063 4.183 4.120 0.001 0.000 0.239 469 V C 1.188 177.390 176.094 0.180 0.000 1.332 469 V CA 0.554 62.913 62.300 0.099 0.000 1.224 469 V CB 0.107 31.980 31.823 0.083 0.000 1.004 469 V HN 0.601 nan 8.190 nan 0.000 0.464 470 S N 0.982 116.871 115.700 0.316 0.000 2.474 470 S HA 0.110 4.580 4.470 0.001 0.000 0.276 470 S C 0.829 175.531 174.600 0.169 0.000 1.227 470 S CA -0.446 57.860 58.200 0.176 0.000 1.050 470 S CB 0.541 63.776 63.200 0.059 0.000 0.939 470 S HN 0.380 nan 8.310 nan 0.000 0.490 471 D N 4.713 125.174 120.400 0.101 0.000 2.144 471 D HA -0.067 4.574 4.640 0.001 0.000 0.200 471 D C 1.891 178.208 176.300 0.029 0.000 0.978 471 D CA 1.055 55.099 54.000 0.073 0.000 0.833 471 D CB 0.049 40.876 40.800 0.045 0.000 0.961 471 D HN 0.621 nan 8.370 nan 0.000 0.470 472 R N 0.522 121.023 120.500 0.001 0.000 2.081 472 R HA -0.087 4.253 4.340 0.001 0.000 0.235 472 R C 2.464 178.718 176.300 -0.078 0.000 1.131 472 R CA 0.700 56.773 56.100 -0.044 0.000 0.960 472 R CB -0.351 29.930 30.300 -0.032 0.000 0.856 472 R HN 0.074 nan 8.270 nan 0.000 0.436 473 V N 0.477 120.356 119.914 -0.059 0.000 2.261 473 V HA -0.254 3.866 4.120 0.001 0.000 0.246 473 V C 2.210 178.281 176.094 -0.038 0.000 1.047 473 V CA 2.269 64.539 62.300 -0.050 0.000 1.015 473 V CB -0.680 30.841 31.823 -0.504 0.000 0.642 473 V HN 0.398 nan 8.190 nan 0.000 0.446 474 T N -0.317 114.253 114.554 0.027 0.000 2.665 474 T HA -0.307 4.043 4.350 0.001 0.000 0.268 474 T C 1.963 176.683 174.700 0.032 0.000 1.035 474 T CA 2.137 64.308 62.100 0.118 0.000 1.151 474 T CB -0.262 68.701 68.868 0.158 0.000 0.862 474 T HN 0.441 nan 8.240 nan 0.000 0.438 475 K N 0.111 120.502 120.400 -0.015 0.000 2.025 475 K HA -0.077 4.243 4.320 0.001 0.000 0.207 475 K C 2.386 178.925 176.600 -0.102 0.000 1.049 475 K CA 1.317 57.576 56.287 -0.047 0.000 0.933 475 K CB -0.395 32.071 32.500 -0.056 0.000 0.714 475 K HN 0.319 nan 8.250 nan 0.000 0.438 476 c N 0.295 118.761 118.600 -0.224 0.000 2.437 476 c HA -0.032 4.539 4.570 0.001 0.000 0.283 476 c C 2.615 176.573 174.090 -0.219 0.000 1.424 476 c CA 0.138 56.226 56.329 -0.402 0.000 1.782 476 c CB -1.040 40.820 42.510 -1.084 0.000 1.833 476 c HN 0.637 nan 8.230 nan 0.000 0.532 477 c N -0.843 117.728 118.600 -0.049 0.000 2.525 477 c HA 0.012 4.582 4.570 0.001 0.000 0.291 477 c C 2.692 176.874 174.090 0.154 0.000 1.351 477 c CA 0.922 57.309 56.329 0.097 0.000 1.771 477 c CB -1.164 41.433 42.510 0.145 0.000 2.177 477 c HN 0.639 nan 8.230 nan 0.000 0.510 478 T N 0.118 114.725 114.554 0.089 0.000 3.014 478 T HA -0.094 4.256 4.350 0.001 0.000 0.263 478 T C 1.629 176.408 174.700 0.132 0.000 1.078 478 T CA 0.962 63.103 62.100 0.068 0.000 1.135 478 T CB -0.056 68.820 68.868 0.013 0.000 0.895 478 T HN 0.594 nan 8.240 nan 0.000 0.480 479 E N 0.894 121.162 120.200 0.113 0.000 2.076 479 E HA 0.040 4.390 4.350 0.001 0.000 0.190 479 E C 0.450 177.133 176.600 0.138 0.000 0.979 479 E CA 0.415 56.866 56.400 0.084 0.000 0.807 479 E CB 0.335 30.039 29.700 0.007 0.000 0.761 479 E HN 0.276 nan 8.360 nan 0.000 0.454 480 S N -0.698 115.081 115.700 0.132 0.000 2.428 480 S HA 0.042 4.512 4.470 0.001 0.000 0.269 480 S C 0.160 174.661 174.600 -0.164 0.000 1.026 480 S CA -0.637 57.572 58.200 0.015 0.000 1.019 480 S CB 0.558 63.744 63.200 -0.023 0.000 1.191 480 S HN 0.213 nan 8.310 nan 0.000 0.429 481 L N 5.680 126.540 121.223 -0.606 0.000 2.034 481 L HA -0.072 4.269 4.340 0.001 0.000 0.217 481 L C 2.063 178.754 176.870 -0.298 0.000 1.077 481 L CA 2.596 57.032 54.840 -0.673 0.000 0.769 481 L CB -0.552 40.771 42.059 -1.226 0.000 0.890 481 L HN 0.696 nan 8.230 nan 0.000 0.435 482 V N -0.510 119.251 119.914 -0.254 0.000 2.591 482 V HA -0.205 3.915 4.120 0.001 0.000 0.249 482 V C 1.699 177.737 176.094 -0.094 0.000 1.053 482 V CA 2.006 64.220 62.300 -0.143 0.000 1.068 482 V CB -0.755 30.992 31.823 -0.127 0.000 0.689 482 V HN 0.581 nan 8.190 nan 0.000 0.462 483 N N -0.607 118.037 118.700 -0.092 0.000 2.383 483 N HA 0.058 4.798 4.740 0.001 0.000 0.192 483 N C 1.683 177.160 175.510 -0.056 0.000 1.141 483 N CA -0.169 52.841 53.050 -0.066 0.000 0.851 483 N CB 0.027 38.474 38.487 -0.067 0.000 0.976 483 N HN 0.361 nan 8.380 nan 0.000 0.465 484 R N 1.039 121.513 120.500 -0.043 0.000 2.112 484 R HA -0.161 4.179 4.340 0.001 0.000 0.242 484 R C 2.248 178.606 176.300 0.097 0.000 1.137 484 R CA 1.483 57.586 56.100 0.004 0.000 0.944 484 R CB -0.163 30.186 30.300 0.083 0.000 0.857 484 R HN 0.246 nan 8.270 nan 0.000 0.435 485 R N 0.222 120.790 120.500 0.114 0.000 2.070 485 R HA -0.080 4.261 4.340 0.001 0.000 0.233 485 R C -0.813 175.559 176.300 0.120 0.000 1.137 485 R CA 1.479 57.677 56.100 0.163 0.000 0.945 485 R CB -1.120 29.242 30.300 0.102 0.000 0.845 485 R HN 0.195 nan 8.270 nan 0.000 0.430 486 P HA -0.137 nan 4.420 nan 0.000 0.219 486 P C 1.606 178.900 177.300 -0.011 0.000 1.146 486 P CA 0.958 64.068 63.100 0.017 0.000 0.808 486 P CB -0.355 31.337 31.700 -0.012 0.000 0.779 487 c N -1.381 117.184 118.600 -0.058 0.000 2.462 487 c HA -0.106 4.464 4.570 0.001 0.000 0.278 487 c C 2.534 176.515 174.090 -0.183 0.000 1.253 487 c CA 0.557 56.789 56.329 -0.162 0.000 1.713 487 c CB -2.116 40.221 42.510 -0.288 0.000 2.049 487 c HN 0.044 nan 8.230 nan 0.000 0.477 488 F N 1.449 121.385 119.950 -0.022 0.000 2.216 488 F HA -0.070 4.457 4.527 0.001 0.000 0.300 488 F C 2.778 178.515 175.800 -0.104 0.000 1.085 488 F CA 1.847 59.816 58.000 -0.053 0.000 1.326 488 F CB -0.753 38.285 39.000 0.064 0.000 1.027 488 F HN 0.167 nan 8.300 nan 0.000 0.497 489 S N -0.540 115.238 115.700 0.129 0.000 2.406 489 S HA -0.025 4.445 4.470 0.001 0.000 0.228 489 S C 2.192 176.794 174.600 0.002 0.000 1.020 489 S CA 0.802 59.038 58.200 0.059 0.000 0.965 489 S CB -0.408 62.837 63.200 0.075 0.000 0.798 489 S HN 0.321 nan 8.310 nan 0.000 0.488 490 A N 0.718 123.529 122.820 -0.014 0.000 2.206 490 A HA 0.293 4.613 4.320 0.001 0.000 0.211 490 A C 0.729 178.285 177.584 -0.046 0.000 1.158 490 A CA 0.158 52.176 52.037 -0.031 0.000 0.761 490 A CB -0.314 18.662 19.000 -0.040 0.000 0.801 490 A HN 0.390 nan 8.150 nan 0.000 0.473 491 L N 0.201 121.388 121.223 -0.060 0.000 2.439 491 L HA 0.329 4.670 4.340 0.001 0.000 0.269 491 L C 0.634 177.462 176.870 -0.070 0.000 1.179 491 L CA -0.272 54.526 54.840 -0.070 0.000 0.828 491 L CB 0.652 42.663 42.059 -0.081 0.000 1.106 491 L HN 0.268 nan 8.230 nan 0.000 0.467 492 E N 0.769 120.936 120.200 -0.056 0.000 2.518 492 E HA 0.379 4.729 4.350 0.001 0.000 0.241 492 E C -1.132 175.439 176.600 -0.048 0.000 0.899 492 E CA -0.692 55.678 56.400 -0.049 0.000 0.888 492 E CB 1.550 31.232 29.700 -0.029 0.000 1.426 492 E HN 0.207 nan 8.360 nan 0.000 0.401 493 V N 1.150 121.044 119.914 -0.034 0.000 2.872 493 V HA 0.088 4.209 4.120 0.001 0.000 0.307 493 V C -0.459 175.630 176.094 -0.008 0.000 1.072 493 V CA 0.213 62.498 62.300 -0.026 0.000 1.148 493 V CB 1.073 32.892 31.823 -0.007 0.000 0.954 493 V HN 0.604 nan 8.190 nan 0.000 0.490 494 D N 4.437 124.836 120.400 -0.001 0.000 2.380 494 D HA 0.191 4.831 4.640 0.001 0.000 0.230 494 D C 0.848 177.195 176.300 0.079 0.000 1.154 494 D CA -0.236 53.784 54.000 0.033 0.000 0.859 494 D CB 1.320 42.139 40.800 0.033 0.000 1.045 494 D HN 0.680 nan 8.370 nan 0.000 0.495 495 E N 1.852 122.089 120.200 0.062 0.000 2.152 495 E HA -0.098 4.253 4.350 0.001 0.000 0.192 495 E C 1.585 178.233 176.600 0.080 0.000 0.983 495 E CA 0.648 57.088 56.400 0.066 0.000 0.818 495 E CB -0.166 29.558 29.700 0.041 0.000 0.758 495 E HN 0.438 nan 8.360 nan 0.000 0.467 496 T N 0.724 115.325 114.554 0.078 0.000 2.849 496 T HA -0.193 4.157 4.350 0.001 0.000 0.270 496 T C 0.361 175.121 174.700 0.099 0.000 1.066 496 T CA 0.681 62.825 62.100 0.073 0.000 1.130 496 T CB -0.386 68.520 68.868 0.064 0.000 0.864 496 T HN 0.171 nan 8.240 nan 0.000 0.481 497 Y N 1.964 122.271 120.300 0.012 0.000 2.465 497 Y HA 0.397 4.947 4.550 0.000 0.000 0.331 497 Y C -0.117 175.795 175.900 0.021 0.000 1.102 497 Y CA -1.037 57.072 58.100 0.014 0.000 1.358 497 Y CB 0.510 38.976 38.460 0.010 0.000 1.213 497 Y HN -0.163 nan 8.280 nan 0.000 0.525 498 V N 10.386 129.925 119.914 -0.625 0.000 2.406 498 V HA 0.390 4.511 4.120 0.001 0.000 0.272 498 V C -2.117 173.430 176.094 -0.912 0.000 1.043 498 V CA -2.263 59.720 62.300 -0.528 0.000 0.915 498 V CB 0.622 32.282 31.823 -0.272 0.000 0.988 498 V HN 0.804 nan 8.190 nan 0.000 0.466 499 P HA 0.193 nan 4.420 nan 0.000 0.271 499 P C -0.819 176.449 177.300 -0.053 0.000 1.216 499 P CA -0.330 62.660 63.100 -0.183 0.000 0.776 499 P CB 0.770 32.545 31.700 0.125 0.000 0.881 500 K N 1.556 121.997 120.400 0.067 0.000 2.202 500 K HA 0.004 4.324 4.320 0.001 0.000 0.264 500 K C 1.350 178.189 176.600 0.397 0.000 1.010 500 K CA -0.214 56.178 56.287 0.175 0.000 0.940 500 K CB 0.478 33.077 32.500 0.164 0.000 0.983 500 K HN 0.293 nan 8.250 nan 0.000 0.475 501 E N 2.543 122.881 120.200 0.230 0.000 1.937 501 E HA -0.094 4.257 4.350 0.001 0.000 0.210 501 E C -0.849 175.812 176.600 0.101 0.000 0.961 501 E CA 1.715 58.222 56.400 0.179 0.000 0.883 501 E CB -0.009 29.758 29.700 0.112 0.000 0.819 501 E HN 0.457 nan 8.360 nan 0.000 0.560 502 F N -0.025 119.792 119.950 -0.222 0.000 2.749 502 F HA 0.193 4.720 4.527 0.001 0.000 0.339 502 F C -1.388 174.331 175.800 -0.136 0.000 1.211 502 F CA -1.023 56.709 58.000 -0.447 0.000 1.099 502 F CB 0.631 39.489 39.000 -0.236 0.000 1.359 502 F HN 0.204 nan 8.300 nan 0.000 0.549 503 N N 3.189 121.751 118.700 -0.231 0.000 2.411 503 N HA 0.277 5.018 4.740 0.001 0.000 0.265 503 N C 0.399 175.956 175.510 0.078 0.000 1.266 503 N CA 0.455 53.470 53.050 -0.060 0.000 0.889 503 N CB 1.457 39.836 38.487 -0.179 0.000 1.069 503 N HN 0.621 nan 8.380 nan 0.000 0.476 504 A N 1.394 124.262 122.820 0.079 0.000 2.261 504 A HA -0.020 4.300 4.320 0.001 0.000 0.208 504 A C 1.367 178.998 177.584 0.078 0.000 1.223 504 A CA 0.476 52.576 52.037 0.105 0.000 0.833 504 A CB -0.724 18.323 19.000 0.078 0.000 0.830 504 A HN 0.944 nan 8.150 nan 0.000 0.483 505 E N -2.891 117.330 120.200 0.035 0.000 2.756 505 E HA -0.036 4.314 4.350 0.001 0.000 0.218 505 E C 0.932 177.482 176.600 -0.084 0.000 1.042 505 E CA 0.640 57.041 56.400 0.002 0.000 1.713 505 E CB -0.068 29.625 29.700 -0.011 0.000 2.443 505 E HN 0.311 nan 8.360 nan 0.000 1.080 506 T N 0.960 115.399 114.554 -0.192 0.000 3.118 506 T HA -0.048 4.302 4.350 0.001 0.000 0.269 506 T C 0.208 174.527 174.700 -0.635 0.000 1.166 506 T CA 0.760 62.632 62.100 -0.380 0.000 1.073 506 T CB -0.455 68.166 68.868 -0.412 0.000 0.884 506 T HN 0.109 nan 8.240 nan 0.000 0.550 507 F N 2.352 122.211 119.950 -0.152 0.000 2.883 507 F HA 0.219 4.746 4.527 0.001 0.000 0.312 507 F C 0.735 176.355 175.800 -0.299 0.000 1.246 507 F CA -1.033 56.837 58.000 -0.217 0.000 1.238 507 F CB -0.129 38.931 39.000 0.099 0.000 1.195 507 F HN -0.067 nan 8.300 nan 0.000 0.526 508 T N -1.511 112.819 114.554 -0.372 0.000 2.727 508 T HA 0.462 4.813 4.350 0.001 0.000 0.298 508 T C -0.628 173.698 174.700 -0.624 0.000 0.942 508 T CA -0.350 61.540 62.100 -0.349 0.000 0.997 508 T CB -0.017 68.712 68.868 -0.232 0.000 0.917 508 T HN 0.066 nan 8.240 nan 0.000 0.487 509 F N 3.004 122.920 119.950 -0.057 0.000 2.427 509 F HA 0.411 4.939 4.527 0.001 0.000 0.348 509 F C 1.032 176.508 175.800 -0.540 0.000 1.125 509 F CA -1.020 56.895 58.000 -0.141 0.000 0.989 509 F CB 1.093 40.201 39.000 0.180 0.000 1.165 509 F HN 0.561 nan 8.300 nan 0.000 0.442 510 H N 0.943 119.781 119.070 -0.387 0.000 2.669 510 H HA 0.481 5.037 4.556 0.001 0.000 0.318 510 H C 0.843 175.577 175.328 -0.990 0.000 1.429 510 H CA -0.087 55.629 56.048 -0.552 0.000 1.460 510 H CB 1.529 31.162 29.762 -0.215 0.000 1.784 510 H HN 0.614 nan 8.280 nan 0.000 0.750 511 A N 0.402 123.003 122.820 -0.366 0.000 2.015 511 A HA -0.173 4.148 4.320 0.001 0.000 0.219 511 A C 1.669 179.189 177.584 -0.107 0.000 1.163 511 A CA 1.663 53.596 52.037 -0.174 0.000 0.646 511 A CB -0.559 18.495 19.000 0.090 0.000 0.806 511 A HN 0.769 nan 8.150 nan 0.000 0.448 512 D N 0.243 120.589 120.400 -0.089 0.000 2.309 512 D HA -0.177 4.463 4.640 0.001 0.000 0.212 512 D C 1.496 177.770 176.300 -0.044 0.000 0.968 512 D CA 0.928 54.899 54.000 -0.048 0.000 0.882 512 D CB -0.727 40.049 40.800 -0.040 0.000 0.918 512 D HN 0.514 nan 8.370 nan 0.000 0.503 513 I N 0.153 120.673 120.570 -0.084 0.000 2.361 513 I HA -0.280 3.891 4.170 0.001 0.000 0.251 513 I C 1.323 177.441 176.117 0.002 0.000 1.133 513 I CA 0.941 62.223 61.300 -0.031 0.000 1.413 513 I CB 0.049 38.033 38.000 -0.026 0.000 1.073 513 I HN 0.095 nan 8.210 nan 0.000 0.424 514 c N 0.145 118.752 118.600 0.010 0.000 2.456 514 c HA -0.048 4.522 4.570 0.001 0.000 0.279 514 c C 2.570 176.673 174.090 0.022 0.000 1.427 514 c CA 1.037 57.388 56.329 0.036 0.000 1.778 514 c CB -1.972 40.579 42.510 0.068 0.000 1.842 514 c HN 0.664 nan 8.230 nan 0.000 0.531 515 T N -1.919 112.642 114.554 0.012 0.000 3.107 515 T HA 0.290 4.641 4.350 0.001 0.000 0.249 515 T C 0.243 174.948 174.700 0.009 0.000 1.096 515 T CA 0.285 62.391 62.100 0.010 0.000 1.012 515 T CB -0.264 68.608 68.868 0.006 0.000 0.977 515 T HN 0.407 nan 8.240 nan 0.000 0.527 516 L N 2.743 123.971 121.223 0.009 0.000 2.309 516 L HA 0.504 4.844 4.340 0.001 0.000 0.282 516 L C 0.695 177.570 176.870 0.008 0.000 1.036 516 L CA -1.146 53.700 54.840 0.010 0.000 0.806 516 L CB 1.647 43.713 42.059 0.012 0.000 1.220 516 L HN 0.261 nan 8.230 nan 0.000 0.429 517 S N 0.177 115.881 115.700 0.008 0.000 2.559 517 S HA -0.073 4.397 4.470 0.001 0.000 0.282 517 S C 0.880 175.478 174.600 -0.004 0.000 1.336 517 S CA -0.319 57.883 58.200 0.003 0.000 1.037 517 S CB 1.053 64.257 63.200 0.007 0.000 0.853 517 S HN 0.716 nan 8.310 nan 0.000 0.523 518 E N 1.387 121.579 120.200 -0.014 0.000 2.267 518 E HA -0.119 4.232 4.350 0.001 0.000 0.197 518 E C 1.680 178.253 176.600 -0.045 0.000 0.998 518 E CA 1.489 57.868 56.400 -0.036 0.000 0.830 518 E CB -0.126 29.544 29.700 -0.049 0.000 0.751 518 E HN 0.715 nan 8.360 nan 0.000 0.491 519 K N -0.008 120.378 120.400 -0.022 0.000 2.001 519 K HA -0.121 4.200 4.320 0.001 0.000 0.208 519 K C 2.085 178.687 176.600 0.004 0.000 1.048 519 K CA 1.490 57.771 56.287 -0.010 0.000 0.932 519 K CB -0.106 32.399 32.500 0.008 0.000 0.715 519 K HN 0.195 nan 8.250 nan 0.000 0.437 520 E N 0.283 120.489 120.200 0.010 0.000 2.160 520 E HA -0.203 4.148 4.350 0.001 0.000 0.195 520 E C 2.115 178.731 176.600 0.026 0.000 0.991 520 E CA 1.022 57.433 56.400 0.018 0.000 0.810 520 E CB 0.015 29.725 29.700 0.016 0.000 0.742 520 E HN 0.170 nan 8.360 nan 0.000 0.466 521 R N 0.612 121.120 120.500 0.014 0.000 2.062 521 R HA -0.110 4.231 4.340 0.001 0.000 0.229 521 R C 2.261 178.577 176.300 0.026 0.000 1.128 521 R CA 1.278 57.392 56.100 0.023 0.000 0.960 521 R CB 0.062 30.361 30.300 -0.000 0.000 0.855 521 R HN 0.150 nan 8.270 nan 0.000 0.432 522 Q N 0.204 119.989 119.800 -0.025 0.000 2.084 522 Q HA -0.150 4.190 4.340 0.001 0.000 0.202 522 Q C 2.118 178.176 176.000 0.096 0.000 0.978 522 Q CA 1.670 57.454 55.803 -0.033 0.000 0.844 522 Q CB -0.053 28.570 28.738 -0.192 0.000 0.898 522 Q HN 0.391 nan 8.270 nan 0.000 0.426 523 I N 0.612 121.226 120.570 0.073 0.000 2.208 523 I HA -0.321 3.850 4.170 0.001 0.000 0.245 523 I C 2.306 178.480 176.117 0.096 0.000 1.097 523 I CA 1.055 62.406 61.300 0.085 0.000 1.363 523 I CB -0.246 37.786 38.000 0.053 0.000 1.051 523 I HN 0.153 nan 8.210 nan 0.000 0.413 524 K N 0.985 121.447 120.400 0.104 0.000 2.063 524 K HA -0.199 4.121 4.320 0.001 0.000 0.208 524 K C 2.054 178.778 176.600 0.206 0.000 1.048 524 K CA 1.494 57.867 56.287 0.144 0.000 0.928 524 K CB -0.164 32.453 32.500 0.196 0.000 0.713 524 K HN 0.390 nan 8.250 nan 0.000 0.442 525 K N 0.509 121.032 120.400 0.204 0.000 2.167 525 K HA -0.088 4.232 4.320 0.001 0.000 0.203 525 K C 2.218 178.946 176.600 0.213 0.000 1.052 525 K CA 0.829 57.248 56.287 0.220 0.000 0.956 525 K CB 0.044 32.677 32.500 0.222 0.000 0.735 525 K HN 0.203 nan 8.250 nan 0.000 0.451 526 Q N 0.000 119.919 119.800 0.198 0.000 2.167 526 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 526 Q C 1.854 177.920 176.000 0.109 0.000 0.970 526 Q CA 1.594 57.489 55.803 0.153 0.000 0.855 526 Q CB 0.006 28.832 28.738 0.146 0.000 0.911 526 Q HN 0.280 nan 8.270 nan 0.000 0.438 527 T N 0.756 115.367 114.554 0.096 0.000 2.777 527 T HA -0.126 4.224 4.350 0.001 0.000 0.266 527 T C 1.927 176.664 174.700 0.062 0.000 1.040 527 T CA 1.112 63.239 62.100 0.045 0.000 1.141 527 T CB -0.262 68.613 68.868 0.012 0.000 0.868 527 T HN 0.370 nan 8.240 nan 0.000 0.444 528 A N 1.828 124.736 122.820 0.147 0.000 1.858 528 A HA -0.017 4.303 4.320 0.001 0.000 0.216 528 A C 2.257 180.024 177.584 0.304 0.000 1.190 528 A CA 1.429 53.629 52.037 0.271 0.000 0.617 528 A CB -1.021 18.166 19.000 0.311 0.000 0.827 528 A HN 0.391 nan 8.150 nan 0.000 0.443 529 L N 0.150 121.516 121.223 0.239 0.000 2.051 529 L HA -0.169 4.171 4.340 0.001 0.000 0.214 529 L C 2.331 179.293 176.870 0.153 0.000 1.076 529 L CA 2.119 57.082 54.840 0.204 0.000 0.758 529 L CB -0.611 41.535 42.059 0.144 0.000 0.890 529 L HN 0.158 nan 8.230 nan 0.000 0.433 530 V N -0.351 119.622 119.914 0.099 0.000 2.427 530 V HA -0.196 3.924 4.120 0.001 0.000 0.248 530 V C 2.602 178.711 176.094 0.025 0.000 1.051 530 V CA 1.762 64.086 62.300 0.041 0.000 1.048 530 V CB -0.603 31.220 31.823 -0.000 0.000 0.666 530 V HN 0.479 nan 8.190 nan 0.000 0.456 531 E N -0.016 120.211 120.200 0.046 0.000 2.072 531 E HA -0.087 4.263 4.350 0.001 0.000 0.190 531 E C 2.292 178.999 176.600 0.178 0.000 0.982 531 E CA 0.816 57.205 56.400 -0.018 0.000 0.803 531 E CB -0.274 29.338 29.700 -0.147 0.000 0.755 531 E HN 0.489 nan 8.360 nan 0.000 0.453 532 L N 0.752 122.213 121.223 0.397 0.000 2.051 532 L HA -0.221 4.119 4.340 0.001 0.000 0.214 532 L C 2.565 179.608 176.870 0.289 0.000 1.076 532 L CA 1.097 56.198 54.840 0.435 0.000 0.758 532 L CB -0.669 41.624 42.059 0.390 0.000 0.890 532 L HN 0.012 nan 8.230 nan 0.000 0.433 533 V N -0.320 119.698 119.914 0.174 0.000 2.358 533 V HA -0.255 3.866 4.120 0.001 0.000 0.246 533 V C 2.391 178.532 176.094 0.077 0.000 1.047 533 V CA 1.661 64.027 62.300 0.109 0.000 1.035 533 V CB -0.492 31.365 31.823 0.056 0.000 0.658 533 V HN 0.426 nan 8.190 nan 0.000 0.452 534 K N -1.051 119.344 120.400 -0.008 0.000 2.283 534 K HA -0.121 4.199 4.320 0.001 0.000 0.202 534 K C 2.035 178.665 176.600 0.051 0.000 1.048 534 K CA 1.024 57.288 56.287 -0.040 0.000 0.948 534 K CB -0.169 32.223 32.500 -0.179 0.000 0.742 534 K HN 0.579 nan 8.250 nan 0.000 0.458 535 H N -0.095 119.098 119.070 0.205 0.000 2.431 535 H HA 0.086 4.642 4.556 0.001 0.000 0.295 535 H C 0.630 176.105 175.328 0.246 0.000 1.038 535 H CA 0.848 57.039 56.048 0.239 0.000 1.360 535 H CB 0.451 30.390 29.762 0.294 0.000 1.433 535 H HN -0.056 nan 8.280 nan 0.000 0.536 536 K N 1.715 122.318 120.400 0.339 0.000 2.877 536 K HA 0.158 4.478 4.320 0.001 0.000 0.176 536 K C -2.082 174.623 176.600 0.174 0.000 1.075 536 K CA -1.586 54.845 56.287 0.239 0.000 0.939 536 K CB 1.181 33.821 32.500 0.233 0.000 1.237 536 K HN -0.012 nan 8.250 nan 0.000 0.607 537 P HA -0.121 nan 4.420 nan 0.000 0.222 537 P C 0.342 177.698 177.300 0.092 0.000 1.153 537 P CA 0.781 63.958 63.100 0.128 0.000 0.798 537 P CB 0.487 32.295 31.700 0.179 0.000 0.796 538 K N 0.039 120.494 120.400 0.093 0.000 3.336 538 K HA 0.466 4.786 4.320 0.001 0.000 0.260 538 K C 0.170 176.805 176.600 0.058 0.000 1.053 538 K CA -0.248 56.080 56.287 0.067 0.000 1.662 538 K CB -0.328 32.210 32.500 0.064 0.000 2.392 538 K HN -0.128 nan 8.250 nan 0.000 0.748 539 A N 0.918 123.767 122.820 0.048 0.000 2.589 539 A HA -0.086 4.234 4.320 0.001 0.000 0.265 539 A C 0.231 177.842 177.584 0.045 0.000 0.973 539 A CA 1.465 53.526 52.037 0.039 0.000 0.902 539 A CB -0.957 18.063 19.000 0.033 0.000 0.846 539 A HN 0.792 nan 8.150 nan 0.000 0.489 540 T N -0.456 114.121 114.554 0.039 0.000 3.394 540 T HA 0.370 4.720 4.350 0.001 0.000 0.084 540 T C 0.999 175.719 174.700 0.033 0.000 0.601 540 T CA 0.274 62.400 62.100 0.043 0.000 0.581 540 T CB -0.128 68.773 68.868 0.054 0.000 0.981 540 T HN 0.937 nan 8.240 nan 0.000 0.209 541 K N 1.179 121.598 120.400 0.031 0.000 10.062 541 K HA -0.272 4.049 4.320 0.001 0.000 0.515 541 K C 1.011 177.625 176.600 0.024 0.000 0.373 541 K CA 2.142 58.445 56.287 0.025 0.000 1.953 541 K CB -1.509 31.004 32.500 0.021 0.000 0.729 541 K HN 0.842 nan 8.250 nan 0.000 1.124 542 E N 0.418 120.631 120.200 0.021 0.000 2.743 542 E HA 0.095 4.445 4.350 0.001 0.000 0.222 542 E C 0.854 177.464 176.600 0.016 0.000 0.959 542 E CA -0.246 56.165 56.400 0.019 0.000 1.198 542 E CB 0.576 30.285 29.700 0.014 0.000 1.100 542 E HN 0.265 nan 8.360 nan 0.000 0.518 543 Q N 0.836 120.647 119.800 0.018 0.000 2.311 543 Q HA 0.131 4.471 4.340 0.001 0.000 0.203 543 Q C 2.184 178.195 176.000 0.019 0.000 0.954 543 Q CA 0.477 56.287 55.803 0.012 0.000 0.885 543 Q CB 0.135 28.881 28.738 0.012 0.000 0.963 543 Q HN 0.409 nan 8.270 nan 0.000 0.471 544 L N 0.566 121.812 121.223 0.037 0.000 1.994 544 L HA -0.121 4.219 4.340 0.001 0.000 0.208 544 L C 1.699 178.599 176.870 0.050 0.000 1.071 544 L CA 1.007 55.881 54.840 0.058 0.000 0.745 544 L CB -0.303 41.796 42.059 0.066 0.000 0.892 544 L HN 0.057 nan 8.230 nan 0.000 0.431 545 K N 0.268 120.690 120.400 0.036 0.000 2.686 545 K HA 0.143 4.464 4.320 0.001 0.000 0.244 545 K C 0.266 176.877 176.600 0.018 0.000 1.262 545 K CA 0.503 56.809 56.287 0.032 0.000 1.199 545 K CB 0.006 32.520 32.500 0.024 0.000 1.428 545 K HN 0.293 nan 8.250 nan 0.000 0.247 546 A N 0.050 122.874 122.820 0.007 0.000 1.472 546 A HA 0.029 4.350 4.320 0.001 0.000 0.214 546 A C 1.260 178.804 177.584 -0.068 0.000 1.836 546 A CA -0.060 51.963 52.037 -0.024 0.000 1.436 546 A CB 0.056 19.038 19.000 -0.029 0.000 1.362 546 A HN 0.146 nan 8.150 nan 0.000 0.359 547 V N 0.627 120.486 119.914 -0.091 0.000 2.407 547 V HA -0.254 3.867 4.120 0.001 0.000 0.248 547 V C 2.537 178.546 176.094 -0.142 0.000 1.055 547 V CA 2.523 64.692 62.300 -0.218 0.000 1.049 547 V CB -0.660 31.048 31.823 -0.192 0.000 0.662 547 V HN 0.595 nan 8.190 nan 0.000 0.455 548 M N 0.329 119.962 119.600 0.055 0.000 2.117 548 M HA -0.157 4.324 4.480 0.001 0.000 0.262 548 M C 1.677 178.073 176.300 0.160 0.000 1.065 548 M CA 1.784 57.199 55.300 0.191 0.000 1.114 548 M CB -0.683 32.009 32.600 0.154 0.000 1.361 548 M HN 0.330 nan 8.290 nan 0.000 0.408 549 D N -0.029 120.416 120.400 0.075 0.000 2.077 549 D HA -0.164 4.477 4.640 0.001 0.000 0.196 549 D C 1.676 178.006 176.300 0.051 0.000 0.986 549 D CA 1.412 55.453 54.000 0.068 0.000 0.829 549 D CB -0.675 40.147 40.800 0.036 0.000 0.983 549 D HN 0.371 nan 8.370 nan 0.000 0.453 550 D N -0.185 120.193 120.400 -0.037 0.000 2.203 550 D HA -0.170 4.471 4.640 0.001 0.000 0.199 550 D C 1.893 178.163 176.300 -0.049 0.000 0.997 550 D CA 0.716 54.656 54.000 -0.100 0.000 0.863 550 D CB -0.101 40.557 40.800 -0.237 0.000 0.928 550 D HN 0.149 nan 8.370 nan 0.000 0.458 551 F N 1.084 121.040 119.950 0.010 0.000 2.074 551 F HA 0.035 4.562 4.527 0.001 0.000 0.290 551 F C 2.585 178.453 175.800 0.113 0.000 1.118 551 F CA 0.590 58.619 58.000 0.048 0.000 1.199 551 F CB -1.160 37.841 39.000 0.001 0.000 1.012 551 F HN -0.132 nan 8.300 nan 0.000 0.472 552 A N -0.143 122.846 122.820 0.281 0.000 2.084 552 A HA -0.069 4.251 4.320 0.001 0.000 0.221 552 A C 2.290 179.943 177.584 0.116 0.000 1.161 552 A CA 1.748 53.883 52.037 0.164 0.000 0.653 552 A CB -1.204 17.891 19.000 0.158 0.000 0.802 552 A HN 0.340 nan 8.150 nan 0.000 0.457 553 A N -0.417 122.481 122.820 0.129 0.000 1.831 553 A HA 0.100 4.420 4.320 0.001 0.000 0.213 553 A C 1.987 179.625 177.584 0.090 0.000 1.223 553 A CA 1.283 53.373 52.037 0.088 0.000 0.604 553 A CB -0.998 18.046 19.000 0.074 0.000 0.878 553 A HN 1.009 nan 8.150 nan 0.000 0.450 554 F N 0.986 120.924 119.950 -0.020 0.000 2.225 554 F HA -0.194 4.333 4.527 0.001 0.000 0.302 554 F C 1.796 177.552 175.800 -0.073 0.000 1.068 554 F CA 1.902 59.871 58.000 -0.053 0.000 1.327 554 F CB -0.422 38.568 39.000 -0.017 0.000 1.043 554 F HN 0.022 nan 8.300 nan 0.000 0.506 555 V N 1.089 120.809 119.914 -0.323 0.000 2.223 555 V HA -0.250 3.870 4.120 0.001 0.000 0.244 555 V C 2.449 178.434 176.094 -0.180 0.000 1.045 555 V CA 2.321 64.424 62.300 -0.328 0.000 1.000 555 V CB -0.682 31.067 31.823 -0.123 0.000 0.635 555 V HN 0.325 nan 8.190 nan 0.000 0.445 556 E N -0.235 119.914 120.200 -0.086 0.000 2.268 556 E HA -0.196 4.155 4.350 0.001 0.000 0.195 556 E C 2.063 178.616 176.600 -0.078 0.000 0.995 556 E CA 0.723 57.093 56.400 -0.050 0.000 0.836 556 E CB -0.100 29.591 29.700 -0.014 0.000 0.763 556 E HN 0.419 nan 8.360 nan 0.000 0.491 557 K N 0.499 120.827 120.400 -0.120 0.000 2.001 557 K HA -0.048 4.272 4.320 0.001 0.000 0.208 557 K C 2.126 178.613 176.600 -0.189 0.000 1.048 557 K CA 1.120 57.334 56.287 -0.121 0.000 0.932 557 K CB -0.404 32.041 32.500 -0.092 0.000 0.715 557 K HN 0.056 nan 8.250 nan 0.000 0.437 558 c N -0.360 118.015 118.600 -0.374 0.000 2.466 558 c HA -0.073 4.497 4.570 0.001 0.000 0.278 558 c C 2.748 176.713 174.090 -0.209 0.000 1.288 558 c CA 0.426 56.458 56.329 -0.495 0.000 1.722 558 c CB -0.905 40.785 42.510 -1.367 0.000 2.017 558 c HN 0.625 nan 8.230 nan 0.000 0.488 559 c N 0.960 119.519 118.600 -0.068 0.000 2.376 559 c HA -0.186 4.384 4.570 0.001 0.000 0.275 559 c C 2.622 176.724 174.090 0.020 0.000 1.200 559 c CA 1.301 57.668 56.329 0.063 0.000 1.756 559 c CB -1.242 41.311 42.510 0.070 0.000 2.050 559 c HN 0.614 nan 8.230 nan 0.000 0.460 560 K N 0.845 121.238 120.400 -0.012 0.000 2.283 560 K HA -0.010 4.310 4.320 0.001 0.000 0.202 560 K C 1.897 178.488 176.600 -0.015 0.000 1.048 560 K CA 1.155 57.436 56.287 -0.009 0.000 0.948 560 K CB -0.233 32.258 32.500 -0.015 0.000 0.742 560 K HN 0.505 nan 8.250 nan 0.000 0.458 561 A N 1.536 124.335 122.820 -0.035 0.000 2.239 561 A HA -0.082 4.239 4.320 0.001 0.000 0.209 561 A C -0.365 177.210 177.584 -0.014 0.000 1.171 561 A CA 0.498 52.513 52.037 -0.037 0.000 0.768 561 A CB -0.302 18.654 19.000 -0.073 0.000 0.790 561 A HN 0.341 nan 8.150 nan 0.000 0.478 562 D N 1.319 121.722 120.400 0.003 0.000 2.740 562 D HA -0.136 4.504 4.640 0.001 0.000 0.231 562 D C -0.142 176.170 176.300 0.020 0.000 1.194 562 D CA 1.328 55.339 54.000 0.018 0.000 0.673 562 D CB -1.020 39.789 40.800 0.015 0.000 0.995 562 D HN 0.801 nan 8.370 nan 0.000 0.411 563 D N -0.295 120.120 120.400 0.024 0.000 2.393 563 D HA 0.027 4.667 4.640 0.001 0.000 0.246 563 D C 0.732 177.065 176.300 0.055 0.000 1.275 563 D CA -0.389 53.628 54.000 0.028 0.000 0.979 563 D CB 0.764 41.575 40.800 0.019 0.000 1.101 563 D HN -0.043 nan 8.370 nan 0.000 0.505 564 K N 0.064 120.500 120.400 0.060 0.000 2.827 564 K HA 0.038 4.359 4.320 0.001 0.000 0.222 564 K C 0.277 176.938 176.600 0.102 0.000 1.114 564 K CA -0.404 55.924 56.287 0.069 0.000 1.206 564 K CB -0.404 32.129 32.500 0.055 0.000 1.035 564 K HN 0.579 nan 8.250 nan 0.000 0.464 565 E N 0.702 120.989 120.200 0.144 0.000 2.440 565 E HA -0.240 4.110 4.350 0.001 0.000 0.246 565 E C -0.419 176.318 176.600 0.230 0.000 1.165 565 E CA 0.886 57.424 56.400 0.230 0.000 0.726 565 E CB -0.872 28.944 29.700 0.194 0.000 1.271 565 E HN 0.358 nan 8.360 nan 0.000 0.397 566 T N -1.437 113.214 114.554 0.161 0.000 3.082 566 T HA -0.038 4.313 4.350 0.001 0.000 0.235 566 T C 1.662 176.435 174.700 0.123 0.000 0.991 566 T CA 0.856 63.032 62.100 0.127 0.000 1.220 566 T CB -0.222 68.692 68.868 0.077 0.000 0.909 566 T HN 0.592 nan 8.240 nan 0.000 0.424 567 c N 1.318 119.938 118.600 0.034 0.000 2.511 567 c HA 0.268 4.838 4.570 0.001 0.000 0.300 567 c C 1.658 175.720 174.090 -0.046 0.000 1.436 567 c CA -0.492 55.829 56.329 -0.014 0.000 1.628 567 c CB -2.726 39.718 42.510 -0.111 0.000 1.599 567 c HN 0.305 nan 8.230 nan 0.000 0.599 568 F N 0.822 120.886 119.950 0.189 0.000 2.514 568 F HA 0.357 4.885 4.527 0.001 0.000 0.281 568 F C 2.558 178.501 175.800 0.239 0.000 1.060 568 F CA 0.840 58.995 58.000 0.258 0.000 1.397 568 F CB -0.819 38.268 39.000 0.145 0.000 1.129 568 F HN 0.211 nan 8.300 nan 0.000 0.620 569 A N 0.009 123.039 122.820 0.351 0.000 1.873 569 A HA -0.085 4.236 4.320 0.001 0.000 0.215 569 A C 2.134 179.831 177.584 0.188 0.000 1.186 569 A CA 1.597 53.776 52.037 0.237 0.000 0.616 569 A CB -0.409 18.712 19.000 0.202 0.000 0.823 569 A HN 0.220 nan 8.150 nan 0.000 0.442 570 E N 0.047 120.347 120.200 0.166 0.000 2.033 570 E HA -0.085 4.266 4.350 0.001 0.000 0.189 570 E C 1.812 178.479 176.600 0.111 0.000 0.979 570 E CA 0.937 57.406 56.400 0.115 0.000 0.802 570 E CB -0.422 29.329 29.700 0.086 0.000 0.763 570 E HN 0.581 nan 8.360 nan 0.000 0.449 571 E N 0.409 120.700 120.200 0.152 0.000 2.358 571 E HA -0.022 4.328 4.350 0.001 0.000 0.195 571 E C 1.984 178.607 176.600 0.037 0.000 1.010 571 E CA 0.680 57.155 56.400 0.125 0.000 0.856 571 E CB -0.227 29.615 29.700 0.236 0.000 0.795 571 E HN 0.302 nan 8.360 nan 0.000 0.504 572 G N 1.377 110.304 108.800 0.211 0.000 2.448 572 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 572 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 572 G C 1.752 176.714 174.900 0.103 0.000 1.135 572 G CA 0.487 45.689 45.100 0.171 0.000 0.784 572 G HN 0.142 nan 8.290 nan 0.000 0.543 573 K N 0.641 121.098 120.400 0.094 0.000 2.228 573 K HA 0.119 4.439 4.320 0.001 0.000 0.202 573 K C 2.117 178.729 176.600 0.021 0.000 1.051 573 K CA 0.624 56.955 56.287 0.073 0.000 0.960 573 K CB 0.048 32.591 32.500 0.073 0.000 0.743 573 K HN -0.003 nan 8.250 nan 0.000 0.458 574 K N 0.053 120.441 120.400 -0.019 0.000 2.400 574 K HA 0.113 4.434 4.320 0.001 0.000 0.194 574 K C 1.630 178.157 176.600 -0.122 0.000 1.033 574 K CA 0.375 56.624 56.287 -0.062 0.000 1.021 574 K CB 0.186 32.650 32.500 -0.059 0.000 0.808 574 K HN 0.200 nan 8.250 nan 0.000 0.505 575 L N 0.649 121.783 121.223 -0.148 0.000 2.209 575 L HA -0.093 4.248 4.340 0.001 0.000 0.207 575 L C 2.126 178.896 176.870 -0.168 0.000 1.094 575 L CA 0.382 55.082 54.840 -0.233 0.000 0.790 575 L CB -0.189 41.692 42.059 -0.297 0.000 0.932 575 L HN -0.114 nan 8.230 nan 0.000 0.447 576 V N -2.984 116.918 119.914 -0.021 0.000 2.407 576 V HA -0.171 3.950 4.120 0.001 0.000 0.248 576 V C 2.470 178.444 176.094 -0.200 0.000 1.055 576 V CA 1.546 63.861 62.300 0.025 0.000 1.049 576 V CB -1.335 30.631 31.823 0.238 0.000 0.662 576 V HN 0.305 nan 8.190 nan 0.000 0.455 577 A N 0.877 123.610 122.820 -0.145 0.000 1.854 577 A HA 0.172 4.492 4.320 0.001 0.000 0.214 577 A C 2.516 179.975 177.584 -0.209 0.000 1.192 577 A CA 2.193 54.129 52.037 -0.169 0.000 0.611 577 A CB -1.171 17.767 19.000 -0.103 0.000 0.832 577 A HN 0.842 nan 8.150 nan 0.000 0.442 578 A N 0.530 123.230 122.820 -0.200 0.000 1.865 578 A HA -0.167 4.153 4.320 0.001 0.000 0.217 578 A C 2.574 180.005 177.584 -0.256 0.000 1.191 578 A CA 2.901 54.810 52.037 -0.213 0.000 0.623 578 A CB -1.220 17.645 19.000 -0.226 0.000 0.826 578 A HN 1.061 nan 8.150 nan 0.000 0.444 579 S N -0.681 114.826 115.700 -0.321 0.000 2.382 579 S HA -0.280 4.191 4.470 0.001 0.000 0.228 579 S C 2.075 176.487 174.600 -0.313 0.000 1.027 579 S CA 1.549 59.563 58.200 -0.311 0.000 0.991 579 S CB -0.557 62.463 63.200 -0.300 0.000 0.823 579 S HN 0.677 nan 8.310 nan 0.000 0.469 580 Q N 1.081 120.583 119.800 -0.498 0.000 2.167 580 Q HA 0.012 4.352 4.340 0.001 0.000 0.202 580 Q C 2.193 178.027 176.000 -0.276 0.000 0.970 580 Q CA 1.196 56.673 55.803 -0.542 0.000 0.855 580 Q CB -0.492 27.818 28.738 -0.714 0.000 0.911 580 Q HN 0.753 nan 8.270 nan 0.000 0.438 581 A N 0.804 123.492 122.820 -0.220 0.000 1.854 581 A HA 0.180 4.500 4.320 0.001 0.000 0.214 581 A C 1.343 178.860 177.584 -0.112 0.000 1.192 581 A CA 0.932 52.882 52.037 -0.144 0.000 0.611 581 A CB -0.899 18.025 19.000 -0.128 0.000 0.832 581 A HN 0.499 nan 8.150 nan 0.000 0.442 582 A N 0.000 122.749 122.820 -0.118 0.000 2.254 582 A HA 0.000 4.320 4.320 0.001 0.000 0.244 582 A CA 0.000 51.986 52.037 -0.085 0.000 0.836 582 A CB 0.000 18.943 19.000 -0.095 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486