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 3a73_1_B DATA FIRST_RESID 2 DATA SEQUENCE AHKSEVAHRF KDLGEENFKA LVLIAFAQYL QQCPFEDHVK LVNEVTEFAK DATA SEQUENCE TcVADESAEN cDKSLHTLFG DKLcTVATLR ETYGEMADcc AKQEPERNEc DATA SEQUENCE FLQHKDDNPN LPRLVRPEVD VMcTAFHDNE ETFLKKYLYE IARRHPYFYA DATA SEQUENCE PELLFFAKRY KAAFTEccQA ADKAAcLLPK LDELRDEGKA SSAKQRLKcA DATA SEQUENCE SLQKFGERAF KAWAVARLSQ RFPKAEFAEV SKLVTDLTKV HTEccHGDLL DATA SEQUENCE EcADDRADLA KYIcENQDSI SSKLKEccEK PLLEKSHcIA EVENDEMPAD DATA SEQUENCE LPSLAADFVE SKDVcKNYAE AKDVFLGMFL YEYARRHPDY SVVLLLRLAK DATA SEQUENCE TYETTLEKcc AAADPHEcYA KVFDEFKPLV EEPQNLIKQN cELFEQLGEY DATA SEQUENCE KFQNALLVRY TKKVPQVSTP TLVEVSRNLG KVGSKccKHP EAKRMPcAED DATA SEQUENCE YLSVVLNQLc VLHEKTPVSD RVTKccTESL VNRRPcFSAL EVDETYVPKE DATA SEQUENCE FNAETFTFHA DIcTLSEKER QIKKQTALVE LVKHKPKATK EQLKAVMDDF DATA SEQUENCE AAFVEKccXX XXXXXcFAEE GKKLVAASQA ALG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.324 177.584 -0.433 0.000 1.274 2 A CA 0.000 51.822 52.037 -0.358 0.000 0.836 2 A CB 0.000 18.894 19.000 -0.177 0.000 0.831 3 H N 0.668 119.688 119.070 -0.083 0.000 2.544 3 H HA 0.514 5.074 4.556 0.006 0.000 0.342 3 H C 1.195 176.518 175.328 -0.008 0.000 1.185 3 H CA -0.726 55.284 56.048 -0.063 0.000 1.264 3 H CB 1.360 31.049 29.762 -0.122 0.000 1.607 3 H HN 0.338 nan 8.280 nan 0.000 0.550 4 K N 0.642 121.127 120.400 0.142 0.000 2.031 4 K HA -0.016 4.308 4.320 0.006 0.000 0.205 4 K C 0.333 176.989 176.600 0.092 0.000 1.049 4 K CA 0.834 57.174 56.287 0.088 0.000 0.939 4 K CB 0.115 32.654 32.500 0.065 0.000 0.717 4 K HN 0.428 nan 8.250 nan 0.000 0.438 5 S N 1.090 116.849 115.700 0.098 0.000 2.601 5 S HA 0.134 4.608 4.470 0.006 0.000 0.312 5 S C 0.344 175.013 174.600 0.115 0.000 1.107 5 S CA -0.476 57.773 58.200 0.083 0.000 1.129 5 S CB 1.380 64.591 63.200 0.019 0.000 0.982 5 S HN 0.192 nan 8.310 nan 0.000 0.469 6 E N 3.747 124.034 120.200 0.145 0.000 2.152 6 E HA -0.055 4.298 4.350 0.006 0.000 0.192 6 E C 1.669 178.375 176.600 0.177 0.000 0.983 6 E CA 1.218 57.723 56.400 0.175 0.000 0.818 6 E CB -0.251 29.553 29.700 0.173 0.000 0.758 6 E HN 0.503 nan 8.360 nan 0.000 0.467 7 V N 0.005 120.019 119.914 0.166 0.000 2.515 7 V HA -0.160 3.964 4.120 0.006 0.000 0.250 7 V C 2.037 178.179 176.094 0.080 0.000 1.058 7 V CA 1.889 64.306 62.300 0.195 0.000 1.064 7 V CB -0.451 31.513 31.823 0.235 0.000 0.675 7 V HN 0.428 nan 8.190 nan 0.000 0.461 8 A N -1.220 121.600 122.820 -0.000 0.000 1.898 8 A HA -0.251 4.073 4.320 0.006 0.000 0.216 8 A C 2.249 179.832 177.584 -0.001 0.000 1.181 8 A CA 1.759 53.748 52.037 -0.080 0.000 0.620 8 A CB -0.969 17.969 19.000 -0.103 0.000 0.819 8 A HN 0.755 nan 8.150 nan 0.000 0.442 9 H N -0.259 118.760 119.070 -0.085 0.000 2.321 9 H HA -0.074 4.486 4.556 0.006 0.000 0.300 9 H C 2.210 177.513 175.328 -0.043 0.000 1.087 9 H CA 1.599 57.547 56.048 -0.167 0.000 1.319 9 H CB 0.034 29.518 29.762 -0.465 0.000 1.379 9 H HN 0.250 nan 8.280 nan 0.000 0.501 10 R N 0.044 120.648 120.500 0.172 0.000 2.073 10 R HA -0.154 4.190 4.340 0.006 0.000 0.234 10 R C 2.435 178.838 176.300 0.173 0.000 1.134 10 R CA 1.126 57.350 56.100 0.207 0.000 0.952 10 R CB -1.374 29.119 30.300 0.321 0.000 0.850 10 R HN 0.365 nan 8.270 nan 0.000 0.433 11 F N 1.940 121.850 119.950 -0.066 0.000 2.146 11 F HA -0.153 4.378 4.527 0.006 0.000 0.298 11 F C 2.151 177.838 175.800 -0.188 0.000 1.096 11 F CA 1.455 59.288 58.000 -0.278 0.000 1.275 11 F CB 0.071 38.682 39.000 -0.649 0.000 1.008 11 F HN -0.096 nan 8.300 nan 0.000 0.480 12 K N -0.179 120.317 120.400 0.160 0.000 2.097 12 K HA -0.211 4.113 4.320 0.006 0.000 0.206 12 K C 1.870 178.421 176.600 -0.083 0.000 1.049 12 K CA 1.539 57.847 56.287 0.036 0.000 0.933 12 K CB -0.345 32.113 32.500 -0.071 0.000 0.717 12 K HN 0.370 nan 8.250 nan 0.000 0.442 13 D N 1.005 121.322 120.400 -0.139 0.000 2.149 13 D HA -0.091 4.552 4.640 0.006 0.000 0.206 13 D C 1.866 178.128 176.300 -0.064 0.000 0.967 13 D CA 0.873 54.795 54.000 -0.129 0.000 0.848 13 D CB 0.019 40.725 40.800 -0.158 0.000 0.998 13 D HN 0.095 nan 8.370 nan 0.000 0.474 14 L N 0.285 121.484 121.223 -0.040 0.000 2.131 14 L HA 0.096 4.440 4.340 0.006 0.000 0.210 14 L C 1.475 178.275 176.870 -0.117 0.000 1.092 14 L CA 0.773 55.590 54.840 -0.037 0.000 0.759 14 L CB -0.965 41.115 42.059 0.036 0.000 0.903 14 L HN 0.276 nan 8.230 nan 0.000 0.435 15 G N 0.167 108.832 108.800 -0.225 0.000 2.731 15 G HA2 -0.278 3.686 3.960 0.006 0.000 0.686 15 G HA3 -0.278 3.686 3.960 0.006 0.000 0.686 15 G C 0.365 174.956 174.900 -0.515 0.000 1.395 15 G CA 0.123 45.030 45.100 -0.322 0.000 0.870 15 G HN 0.363 nan 8.290 nan 0.000 0.591 16 E N 0.175 119.975 120.200 -0.667 0.000 2.085 16 E HA -0.193 4.161 4.350 0.006 0.000 0.194 16 E C 2.099 178.578 176.600 -0.200 0.000 0.994 16 E CA 1.768 57.759 56.400 -0.682 0.000 0.801 16 E CB -0.061 29.452 29.700 -0.311 0.000 0.743 16 E HN 0.581 nan 8.360 nan 0.000 0.453 17 E N 0.790 120.917 120.200 -0.121 0.000 2.058 17 E HA -0.187 4.166 4.350 0.006 0.000 0.194 17 E C 1.902 178.490 176.600 -0.020 0.000 0.997 17 E CA 0.993 57.369 56.400 -0.040 0.000 0.801 17 E CB -0.475 29.203 29.700 -0.036 0.000 0.746 17 E HN 0.359 nan 8.360 nan 0.000 0.450 18 N N 0.321 118.994 118.700 -0.046 0.000 2.244 18 N HA -0.110 4.634 4.740 0.006 0.000 0.183 18 N C 1.732 177.248 175.510 0.010 0.000 1.016 18 N CA 0.485 53.518 53.050 -0.028 0.000 0.866 18 N CB -0.441 38.020 38.487 -0.043 0.000 0.980 18 N HN 0.137 nan 8.380 nan 0.000 0.430 19 F N 2.190 122.044 119.950 -0.160 0.000 2.102 19 F HA -0.102 4.429 4.527 0.006 0.000 0.298 19 F C 2.091 177.886 175.800 -0.010 0.000 1.105 19 F CA 1.402 59.336 58.000 -0.110 0.000 1.239 19 F CB 0.059 38.911 39.000 -0.247 0.000 0.991 19 F HN -0.126 nan 8.300 nan 0.000 0.474 20 K N 0.129 120.627 120.400 0.162 0.000 2.097 20 K HA -0.080 4.244 4.320 0.006 0.000 0.205 20 K C 2.257 178.881 176.600 0.040 0.000 1.050 20 K CA 1.042 57.404 56.287 0.125 0.000 0.938 20 K CB -0.431 32.161 32.500 0.155 0.000 0.718 20 K HN 0.361 nan 8.250 nan 0.000 0.442 21 A N 0.894 123.729 122.820 0.026 0.000 1.930 21 A HA -0.081 4.242 4.320 0.006 0.000 0.217 21 A C 2.010 179.597 177.584 0.006 0.000 1.175 21 A CA 1.164 53.219 52.037 0.030 0.000 0.627 21 A CB -0.334 18.678 19.000 0.020 0.000 0.815 21 A HN 0.156 nan 8.150 nan 0.000 0.443 22 L N -0.931 120.256 121.223 -0.060 0.000 2.249 22 L HA -0.042 4.301 4.340 0.006 0.000 0.207 22 L C 2.416 179.225 176.870 -0.103 0.000 1.090 22 L CA 0.320 55.108 54.840 -0.087 0.000 0.802 22 L CB -0.165 41.821 42.059 -0.122 0.000 0.947 22 L HN 0.212 nan 8.230 nan 0.000 0.453 23 V N 0.154 119.965 119.914 -0.171 0.000 2.255 23 V HA -0.329 3.794 4.120 0.006 0.000 0.247 23 V C 2.429 178.671 176.094 0.246 0.000 1.051 23 V CA 1.868 64.159 62.300 -0.015 0.000 1.018 23 V CB -0.507 31.267 31.823 -0.080 0.000 0.641 23 V HN 0.332 nan 8.190 nan 0.000 0.445 24 L N 0.107 121.441 121.223 0.185 0.000 1.990 24 L HA -0.200 4.144 4.340 0.006 0.000 0.213 24 L C 2.200 179.207 176.870 0.229 0.000 1.072 24 L CA 2.040 57.029 54.840 0.248 0.000 0.755 24 L CB -0.655 41.515 42.059 0.185 0.000 0.889 24 L HN 0.240 nan 8.230 nan 0.000 0.432 25 I N -0.366 120.279 120.570 0.126 0.000 2.163 25 I HA -0.322 3.852 4.170 0.006 0.000 0.243 25 I C 2.602 178.784 176.117 0.107 0.000 1.085 25 I CA 1.436 62.784 61.300 0.081 0.000 1.347 25 I CB -0.682 37.336 38.000 0.030 0.000 1.044 25 I HN 0.391 nan 8.210 nan 0.000 0.408 26 A N 0.292 123.165 122.820 0.089 0.000 1.902 26 A HA -0.199 4.125 4.320 0.006 0.000 0.217 26 A C 2.094 179.838 177.584 0.267 0.000 1.181 26 A CA 1.614 53.694 52.037 0.071 0.000 0.623 26 A CB -0.930 17.967 19.000 -0.171 0.000 0.818 26 A HN 0.350 nan 8.150 nan 0.000 0.443 27 F N -0.070 120.106 119.950 0.377 0.000 2.206 27 F HA 0.053 4.584 4.527 0.007 0.000 0.298 27 F C 2.719 178.846 175.800 0.544 0.000 1.090 27 F CA 0.715 58.974 58.000 0.432 0.000 1.323 27 F CB -0.443 38.760 39.000 0.338 0.000 1.028 27 F HN 0.244 nan 8.300 nan 0.000 0.492 28 A N -0.469 122.567 122.820 0.359 0.000 2.019 28 A HA -0.210 4.114 4.320 0.006 0.000 0.219 28 A C 2.074 179.697 177.584 0.064 0.000 1.164 28 A CA 1.457 53.462 52.037 -0.054 0.000 0.644 28 A CB -0.644 18.225 19.000 -0.218 0.000 0.805 28 A HN 0.471 nan 8.150 nan 0.000 0.449 29 Q N -2.254 117.612 119.800 0.110 0.000 2.245 29 Q HA -0.088 4.256 4.340 0.006 0.000 0.201 29 Q C 1.405 177.343 176.000 -0.103 0.000 0.955 29 Q CA 1.311 57.092 55.803 -0.036 0.000 0.870 29 Q CB -0.117 28.562 28.738 -0.098 0.000 0.945 29 Q HN 0.883 nan 8.270 nan 0.000 0.461 30 Y N -0.391 119.946 120.300 0.063 0.000 2.441 30 Y HA 0.127 4.681 4.550 0.007 0.000 0.288 30 Y C 0.828 176.695 175.900 -0.054 0.000 1.118 30 Y CA 0.236 58.345 58.100 0.016 0.000 1.215 30 Y CB 0.766 39.233 38.460 0.012 0.000 1.118 30 Y HN -0.076 nan 8.280 nan 0.000 0.547 31 L N 1.301 122.655 121.223 0.217 0.000 2.701 31 L HA 0.216 4.560 4.340 0.006 0.000 0.237 31 L C 0.720 177.849 176.870 0.431 0.000 1.204 31 L CA -0.025 54.881 54.840 0.111 0.000 1.109 31 L CB 0.431 42.565 42.059 0.125 0.000 1.409 31 L HN 0.205 nan 8.230 nan 0.000 0.428 32 Q N -0.122 119.883 119.800 0.342 0.000 2.291 32 Q HA -0.168 4.176 4.340 0.006 0.000 0.206 32 Q C 1.384 177.521 176.000 0.228 0.000 0.976 32 Q CA 1.345 57.271 55.803 0.205 0.000 0.875 32 Q CB 0.102 28.896 28.738 0.094 0.000 0.927 32 Q HN 0.669 nan 8.270 nan 0.000 0.450 33 Q N -1.074 118.941 119.800 0.359 0.000 2.352 33 Q HA 0.105 4.449 4.340 0.006 0.000 0.212 33 Q C 0.136 176.271 176.000 0.226 0.000 0.888 33 Q CA -0.326 55.578 55.803 0.169 0.000 0.934 33 Q CB 0.752 29.448 28.738 -0.071 0.000 1.093 33 Q HN 0.217 nan 8.270 nan 0.000 0.523 34 C N 3.551 123.106 119.300 0.425 0.000 2.662 34 C HA 0.171 4.635 4.460 0.006 0.000 0.420 34 C C -1.840 173.400 174.990 0.417 0.000 1.314 34 C CA -1.240 58.001 59.018 0.372 0.000 1.963 34 C CB -0.062 27.895 27.740 0.363 0.000 2.686 34 C HN 0.274 nan 8.230 nan 0.000 0.609 35 P HA 0.010 nan 4.420 nan 0.000 0.269 35 P C 0.528 177.858 177.300 0.049 0.000 1.215 35 P CA -0.019 63.180 63.100 0.165 0.000 0.780 35 P CB 0.272 32.015 31.700 0.072 0.000 0.898 36 F N 3.265 122.988 119.950 -0.380 0.000 2.095 36 F HA -0.243 4.288 4.527 0.006 0.000 0.298 36 F C 2.062 177.694 175.800 -0.281 0.000 1.104 36 F CA 2.040 59.608 58.000 -0.720 0.000 1.232 36 F CB -0.486 38.051 39.000 -0.770 0.000 0.987 36 F HN 0.375 nan 8.300 nan 0.000 0.475 37 E N -0.079 119.926 120.200 -0.325 0.000 2.160 37 E HA -0.241 4.113 4.350 0.006 0.000 0.195 37 E C 1.625 178.047 176.600 -0.296 0.000 0.991 37 E CA 1.610 57.785 56.400 -0.374 0.000 0.810 37 E CB -1.027 28.578 29.700 -0.159 0.000 0.742 37 E HN 0.440 nan 8.360 nan 0.000 0.466 38 D N 1.057 121.343 120.400 -0.190 0.000 2.092 38 D HA -0.164 4.480 4.640 0.006 0.000 0.193 38 D C 2.037 178.190 176.300 -0.245 0.000 0.994 38 D CA 1.169 55.063 54.000 -0.176 0.000 0.828 38 D CB -0.577 40.156 40.800 -0.113 0.000 0.963 38 D HN 0.402 nan 8.370 nan 0.000 0.450 39 H N 0.268 119.197 119.070 -0.234 0.000 2.387 39 H HA -0.068 4.492 4.556 0.006 0.000 0.299 39 H C 2.349 177.499 175.328 -0.295 0.000 1.099 39 H CA 0.716 56.634 56.048 -0.216 0.000 1.315 39 H CB -0.042 29.687 29.762 -0.056 0.000 1.380 39 H HN -0.003 nan 8.280 nan 0.000 0.513 40 V N 1.210 120.914 119.914 -0.349 0.000 2.332 40 V HA -0.243 3.881 4.120 0.006 0.000 0.248 40 V C 2.459 178.420 176.094 -0.222 0.000 1.055 40 V CA 1.657 63.739 62.300 -0.364 0.000 1.038 40 V CB -0.296 31.177 31.823 -0.584 0.000 0.651 40 V HN 0.350 nan 8.190 nan 0.000 0.450 41 K N -0.462 119.802 120.400 -0.227 0.000 2.025 41 K HA -0.056 4.267 4.320 0.006 0.000 0.207 41 K C 2.117 178.609 176.600 -0.180 0.000 1.049 41 K CA 1.218 57.401 56.287 -0.174 0.000 0.933 41 K CB -0.256 32.146 32.500 -0.163 0.000 0.714 41 K HN 0.366 nan 8.250 nan 0.000 0.438 42 L N 0.690 121.753 121.223 -0.268 0.000 2.042 42 L HA -0.207 4.137 4.340 0.006 0.000 0.210 42 L C 2.409 179.125 176.870 -0.258 0.000 1.076 42 L CA 1.077 55.696 54.840 -0.367 0.000 0.749 42 L CB -0.660 40.970 42.059 -0.716 0.000 0.893 42 L HN 0.013 nan 8.230 nan 0.000 0.432 43 V N 0.262 120.076 119.914 -0.167 0.000 2.358 43 V HA -0.282 3.841 4.120 0.006 0.000 0.246 43 V C 2.120 178.253 176.094 0.064 0.000 1.047 43 V CA 2.033 64.329 62.300 -0.006 0.000 1.035 43 V CB -0.668 31.175 31.823 0.034 0.000 0.658 43 V HN 0.513 nan 8.190 nan 0.000 0.452 44 N N -0.370 118.335 118.700 0.009 0.000 2.084 44 N HA -0.210 4.534 4.740 0.006 0.000 0.190 44 N C 1.832 177.378 175.510 0.059 0.000 1.030 44 N CA 1.509 54.582 53.050 0.038 0.000 0.849 44 N CB -0.118 38.362 38.487 -0.011 0.000 1.012 44 N HN 0.576 nan 8.380 nan 0.000 0.423 45 E N 0.437 120.643 120.200 0.011 0.000 2.058 45 E HA -0.165 4.189 4.350 0.006 0.000 0.194 45 E C 2.069 178.743 176.600 0.124 0.000 0.997 45 E CA 1.060 57.476 56.400 0.026 0.000 0.801 45 E CB 0.007 29.674 29.700 -0.055 0.000 0.746 45 E HN 0.151 nan 8.360 nan 0.000 0.450 46 V N 1.110 121.112 119.914 0.147 0.000 2.427 46 V HA -0.232 3.892 4.120 0.006 0.000 0.248 46 V C 2.261 178.636 176.094 0.467 0.000 1.051 46 V CA 2.080 64.576 62.300 0.327 0.000 1.048 46 V CB -0.658 31.371 31.823 0.344 0.000 0.666 46 V HN 0.344 nan 8.190 nan 0.000 0.456 47 T N -0.766 114.031 114.554 0.405 0.000 2.777 47 T HA -0.177 4.176 4.350 0.006 0.000 0.266 47 T C 1.937 176.738 174.700 0.169 0.000 1.040 47 T CA 1.459 63.797 62.100 0.397 0.000 1.141 47 T CB -0.208 68.875 68.868 0.358 0.000 0.868 47 T HN 0.330 nan 8.240 nan 0.000 0.444 48 E N 0.696 120.981 120.200 0.140 0.000 2.077 48 E HA -0.030 4.324 4.350 0.006 0.000 0.193 48 E C 1.684 178.310 176.600 0.044 0.000 0.989 48 E CA 0.675 57.111 56.400 0.061 0.000 0.800 48 E CB -0.502 29.237 29.700 0.065 0.000 0.746 48 E HN 0.548 nan 8.360 nan 0.000 0.452 49 F N 0.697 120.643 119.950 -0.006 0.000 2.113 49 F HA -0.090 4.440 4.527 0.006 0.000 0.297 49 F C 2.017 177.777 175.800 -0.067 0.000 1.103 49 F CA 1.601 59.589 58.000 -0.020 0.000 1.248 49 F CB -0.654 38.359 39.000 0.022 0.000 0.999 49 F HN 0.026 nan 8.300 nan 0.000 0.475 50 A N 0.661 123.290 122.820 -0.319 0.000 1.997 50 A HA -0.281 4.043 4.320 0.006 0.000 0.221 50 A C 2.265 179.400 177.584 -0.748 0.000 1.172 50 A CA 2.129 53.837 52.037 -0.548 0.000 0.645 50 A CB -0.845 17.898 19.000 -0.428 0.000 0.813 50 A HN 0.545 nan 8.150 nan 0.000 0.454 51 K N -0.941 119.100 120.400 -0.599 0.000 2.148 51 K HA -0.105 4.218 4.320 0.006 0.000 0.204 51 K C 2.203 178.543 176.600 -0.433 0.000 1.050 51 K CA 1.663 57.605 56.287 -0.575 0.000 0.942 51 K CB -0.282 32.007 32.500 -0.351 0.000 0.724 51 K HN 0.790 nan 8.250 nan 0.000 0.446 52 T N -1.652 112.666 114.554 -0.392 0.000 2.942 52 T HA -0.084 4.270 4.350 0.006 0.000 0.265 52 T C 2.265 176.770 174.700 -0.326 0.000 1.062 52 T CA 0.817 62.740 62.100 -0.294 0.000 1.139 52 T CB -0.565 68.177 68.868 -0.210 0.000 0.883 52 T HN 0.148 nan 8.240 nan 0.000 0.468 53 c N 1.102 119.419 118.600 -0.472 0.000 2.457 53 c HA 0.122 4.696 4.570 0.006 0.000 0.278 53 c C 2.918 176.836 174.090 -0.288 0.000 1.309 53 c CA 0.048 56.155 56.329 -0.371 0.000 1.735 53 c CB -1.133 41.109 42.510 -0.446 0.000 1.992 53 c HN 0.437 nan 8.230 nan 0.000 0.493 54 V N 1.499 121.187 119.914 -0.378 0.000 2.407 54 V HA -0.197 3.927 4.120 0.006 0.000 0.248 54 V C 2.671 178.633 176.094 -0.220 0.000 1.055 54 V CA 2.260 64.366 62.300 -0.322 0.000 1.049 54 V CB -1.130 30.403 31.823 -0.484 0.000 0.662 54 V HN 0.600 nan 8.190 nan 0.000 0.455 55 A N -1.085 121.606 122.820 -0.216 0.000 2.014 55 A HA -0.062 4.262 4.320 0.006 0.000 0.218 55 A C 1.137 178.656 177.584 -0.109 0.000 1.163 55 A CA 1.448 53.399 52.037 -0.144 0.000 0.652 55 A CB -0.030 18.890 19.000 -0.132 0.000 0.808 55 A HN 0.528 nan 8.150 nan 0.000 0.449 56 D N -1.278 119.051 120.400 -0.119 0.000 2.318 56 D HA 0.114 4.758 4.640 0.006 0.000 0.233 56 D C 0.569 176.820 176.300 -0.082 0.000 1.348 56 D CA -0.017 53.934 54.000 -0.082 0.000 0.983 56 D CB 0.418 41.179 40.800 -0.064 0.000 1.416 56 D HN 0.448 nan 8.370 nan 0.000 0.558 57 E N 0.485 120.647 120.200 -0.063 0.000 2.396 57 E HA -0.100 4.253 4.350 0.006 0.000 0.200 57 E C 0.615 177.203 176.600 -0.020 0.000 1.023 57 E CA 0.814 57.188 56.400 -0.044 0.000 0.857 57 E CB 0.127 29.819 29.700 -0.013 0.000 0.775 57 E HN 0.046 nan 8.360 nan 0.000 0.525 58 S N -0.036 115.653 115.700 -0.019 0.000 2.577 58 S HA 0.348 4.821 4.470 0.006 0.000 0.219 58 S C 0.457 175.058 174.600 0.002 0.000 0.962 58 S CA -0.035 58.164 58.200 -0.002 0.000 0.921 58 S CB 0.410 63.611 63.200 0.000 0.000 0.789 58 S HN 0.498 nan 8.310 nan 0.000 0.497 59 A N 1.301 124.114 122.820 -0.012 0.000 2.313 59 A HA 0.445 4.769 4.320 0.006 0.000 0.261 59 A C 0.152 177.764 177.584 0.046 0.000 1.090 59 A CA -0.394 51.644 52.037 0.001 0.000 0.807 59 A CB 0.156 19.136 19.000 -0.035 0.000 1.055 59 A HN 0.340 nan 8.150 nan 0.000 0.492 60 E N 0.658 120.901 120.200 0.073 0.000 2.452 60 E HA 0.122 4.476 4.350 0.006 0.000 0.261 60 E C 0.278 176.987 176.600 0.182 0.000 0.987 60 E CA 1.011 57.471 56.400 0.100 0.000 0.926 60 E CB 0.064 29.812 29.700 0.081 0.000 0.934 60 E HN 0.632 nan 8.360 nan 0.000 0.452 61 N N 0.972 119.762 118.700 0.151 0.000 2.936 61 N HA -0.244 4.499 4.740 0.006 0.000 0.236 61 N C 0.344 176.029 175.510 0.292 0.000 0.930 61 N CA 1.148 54.312 53.050 0.190 0.000 0.966 61 N CB -1.704 36.877 38.487 0.157 0.000 1.090 61 N HN 0.494 nan 8.380 nan 0.000 0.592 62 c N 0.974 119.706 118.600 0.220 0.000 2.448 62 c HA -0.052 4.521 4.570 0.006 0.000 0.280 62 c C 1.939 176.103 174.090 0.123 0.000 1.398 62 c CA 0.947 57.361 56.329 0.142 0.000 1.774 62 c CB -0.829 41.674 42.510 -0.011 0.000 1.888 62 c HN 0.571 nan 8.230 nan 0.000 0.519 63 D N 0.446 120.913 120.400 0.111 0.000 2.349 63 D HA -0.016 4.628 4.640 0.006 0.000 0.224 63 D C 0.537 176.902 176.300 0.108 0.000 1.029 63 D CA 0.313 54.370 54.000 0.095 0.000 0.879 63 D CB -0.370 40.472 40.800 0.070 0.000 0.906 63 D HN 0.352 nan 8.370 nan 0.000 0.528 64 K N 0.758 121.240 120.400 0.136 0.000 2.258 64 K HA 0.218 4.542 4.320 0.006 0.000 0.264 64 K C 0.653 177.340 176.600 0.145 0.000 1.007 64 K CA -0.331 56.035 56.287 0.131 0.000 0.941 64 K CB 0.877 33.454 32.500 0.129 0.000 0.966 64 K HN 0.144 nan 8.250 nan 0.000 0.480 65 S N 2.003 117.786 115.700 0.138 0.000 2.614 65 S HA 0.074 4.548 4.470 0.006 0.000 0.265 65 S C 1.165 175.856 174.600 0.151 0.000 1.303 65 S CA -0.770 57.520 58.200 0.149 0.000 1.000 65 S CB 0.609 63.912 63.200 0.172 0.000 0.935 65 S HN 0.447 nan 8.310 nan 0.000 0.551 66 L N 1.278 122.568 121.223 0.111 0.000 2.017 66 L HA -0.095 4.249 4.340 0.006 0.000 0.208 66 L C 2.653 179.535 176.870 0.019 0.000 1.073 66 L CA 1.938 56.810 54.840 0.053 0.000 0.745 66 L CB -2.062 39.966 42.059 -0.052 0.000 0.894 66 L HN 0.826 nan 8.230 nan 0.000 0.432 67 H N -0.875 118.254 119.070 0.099 0.000 2.353 67 H HA -0.148 4.412 4.556 0.006 0.000 0.298 67 H C 2.040 177.454 175.328 0.143 0.000 1.103 67 H CA 2.029 58.139 56.048 0.104 0.000 1.293 67 H CB -0.435 29.379 29.762 0.087 0.000 1.372 67 H HN 0.331 nan 8.280 nan 0.000 0.501 68 T N 1.651 116.343 114.554 0.231 0.000 2.708 68 T HA -0.084 4.270 4.350 0.006 0.000 0.266 68 T C 2.521 177.297 174.700 0.127 0.000 1.037 68 T CA 0.855 63.054 62.100 0.165 0.000 1.146 68 T CB -0.372 68.573 68.868 0.129 0.000 0.865 68 T HN 0.164 nan 8.240 nan 0.000 0.435 69 L N -0.223 121.077 121.223 0.129 0.000 2.017 69 L HA -0.059 4.285 4.340 0.006 0.000 0.208 69 L C 2.301 179.225 176.870 0.090 0.000 1.073 69 L CA 1.387 56.285 54.840 0.096 0.000 0.745 69 L CB -0.635 41.524 42.059 0.168 0.000 0.894 69 L HN 0.171 nan 8.230 nan 0.000 0.432 70 F N 1.073 121.002 119.950 -0.036 0.000 2.046 70 F HA -0.183 4.348 4.527 0.007 0.000 0.297 70 F C 2.313 178.012 175.800 -0.169 0.000 1.123 70 F CA 1.754 59.663 58.000 -0.151 0.000 1.199 70 F CB -0.846 37.973 39.000 -0.301 0.000 0.972 70 F HN -0.007 nan 8.300 nan 0.000 0.474 71 G N -0.408 108.370 108.800 -0.037 0.000 2.440 71 G HA2 -0.289 3.675 3.960 0.006 0.000 0.218 71 G HA3 -0.289 3.675 3.960 0.006 0.000 0.218 71 G C 1.405 176.254 174.900 -0.086 0.000 1.154 71 G CA 1.105 46.154 45.100 -0.084 0.000 0.767 71 G HN 0.347 nan 8.290 nan 0.000 0.552 72 D N 0.322 120.704 120.400 -0.030 0.000 2.149 72 D HA -0.074 4.570 4.640 0.006 0.000 0.198 72 D C 2.369 178.605 176.300 -0.106 0.000 0.990 72 D CA 1.011 54.986 54.000 -0.043 0.000 0.839 72 D CB -0.065 40.709 40.800 -0.044 0.000 0.948 72 D HN 0.186 nan 8.370 nan 0.000 0.460 73 K N 0.690 121.001 120.400 -0.147 0.000 2.025 73 K HA 0.015 4.339 4.320 0.006 0.000 0.207 73 K C 2.191 178.659 176.600 -0.220 0.000 1.049 73 K CA 0.540 56.728 56.287 -0.165 0.000 0.933 73 K CB -0.562 31.907 32.500 -0.052 0.000 0.714 73 K HN 0.101 nan 8.250 nan 0.000 0.438 74 L N -0.185 120.849 121.223 -0.314 0.000 2.079 74 L HA -0.270 4.073 4.340 0.006 0.000 0.210 74 L C 2.070 178.828 176.870 -0.187 0.000 1.081 74 L CA 1.188 55.801 54.840 -0.377 0.000 0.752 74 L CB -0.301 41.268 42.059 -0.817 0.000 0.896 74 L HN 0.276 nan 8.230 nan 0.000 0.433 75 c N -0.871 117.674 118.600 -0.092 0.000 2.562 75 c HA -0.037 4.536 4.570 0.006 0.000 0.266 75 c C 2.735 176.805 174.090 -0.033 0.000 1.382 75 c CA 0.969 57.302 56.329 0.007 0.000 1.742 75 c CB -1.111 41.438 42.510 0.065 0.000 1.812 75 c HN 0.643 nan 8.230 nan 0.000 0.559 76 T N -0.683 113.821 114.554 -0.084 0.000 3.014 76 T HA 0.001 4.355 4.350 0.006 0.000 0.263 76 T C 0.784 175.433 174.700 -0.085 0.000 1.078 76 T CA 0.609 62.657 62.100 -0.086 0.000 1.135 76 T CB -0.903 67.894 68.868 -0.118 0.000 0.895 76 T HN 0.392 nan 8.240 nan 0.000 0.480 77 V N 1.194 121.045 119.914 -0.105 0.000 2.555 77 V HA 0.459 4.582 4.120 0.006 0.000 0.299 77 V C 1.684 177.763 176.094 -0.026 0.000 1.012 77 V CA -0.333 61.916 62.300 -0.086 0.000 1.180 77 V CB -0.971 30.797 31.823 -0.092 0.000 0.887 77 V HN 0.455 nan 8.190 nan 0.000 0.476 78 A N 3.820 126.623 122.820 -0.027 0.000 2.015 78 A HA -0.021 4.303 4.320 0.006 0.000 0.219 78 A C 1.994 179.588 177.584 0.016 0.000 1.163 78 A CA 1.750 53.780 52.037 -0.011 0.000 0.646 78 A CB -0.573 18.414 19.000 -0.022 0.000 0.806 78 A HN 1.497 nan 8.150 nan 0.000 0.448 79 T N -3.184 111.393 114.554 0.039 0.000 3.176 79 T HA 0.297 4.651 4.350 0.006 0.000 0.263 79 T C 1.237 176.013 174.700 0.126 0.000 1.021 79 T CA 0.215 62.347 62.100 0.054 0.000 0.905 79 T CB -0.110 68.775 68.868 0.027 0.000 1.057 79 T HN 0.056 nan 8.240 nan 0.000 0.558 80 L N 2.191 123.515 121.223 0.168 0.000 1.991 80 L HA -0.145 4.199 4.340 0.006 0.000 0.221 80 L C 2.765 179.774 176.870 0.232 0.000 1.079 80 L CA 2.199 57.202 54.840 0.271 0.000 0.778 80 L CB -0.578 41.566 42.059 0.141 0.000 0.893 80 L HN 0.364 nan 8.230 nan 0.000 0.437 81 R N -0.670 119.900 120.500 0.116 0.000 2.083 81 R HA -0.251 4.093 4.340 0.006 0.000 0.237 81 R C 2.338 178.670 176.300 0.053 0.000 1.137 81 R CA 2.027 58.172 56.100 0.075 0.000 0.951 81 R CB -0.422 29.900 30.300 0.037 0.000 0.851 81 R HN 0.682 nan 8.270 nan 0.000 0.434 82 E N -0.839 119.380 120.200 0.031 0.000 2.047 82 E HA -0.141 4.213 4.350 0.006 0.000 0.191 82 E C 1.291 177.863 176.600 -0.048 0.000 0.987 82 E CA 1.895 58.291 56.400 -0.007 0.000 0.799 82 E CB -0.006 29.685 29.700 -0.014 0.000 0.752 82 E HN 0.367 nan 8.360 nan 0.000 0.449 83 T N -0.866 113.630 114.554 -0.097 0.000 2.978 83 T HA -0.034 4.320 4.350 0.006 0.000 0.262 83 T C 0.664 175.162 174.700 -0.338 0.000 1.063 83 T CA 0.926 62.841 62.100 -0.307 0.000 1.140 83 T CB -0.142 68.360 68.868 -0.609 0.000 0.886 83 T HN 0.269 nan 8.240 nan 0.000 0.470 84 Y N 0.721 121.038 120.300 0.028 0.000 2.481 84 Y HA 0.442 4.995 4.550 0.006 0.000 0.247 84 Y C 1.903 177.809 175.900 0.010 0.000 1.151 84 Y CA -0.493 57.628 58.100 0.036 0.000 1.238 84 Y CB -0.154 38.345 38.460 0.066 0.000 1.179 84 Y HN 0.319 nan 8.280 nan 0.000 0.524 85 G N 2.076 110.935 108.800 0.098 0.000 2.665 85 G HA2 -0.487 3.477 3.960 0.006 0.000 0.326 85 G HA3 -0.487 3.477 3.960 0.006 0.000 0.326 85 G C 1.332 176.233 174.900 0.001 0.000 1.231 85 G CA 1.138 46.261 45.100 0.039 0.000 0.992 85 G HN 0.548 nan 8.290 nan 0.000 0.549 86 E N 0.806 120.973 120.200 -0.055 0.000 2.409 86 E HA 0.061 4.415 4.350 0.006 0.000 0.198 86 E C 2.436 178.850 176.600 -0.311 0.000 1.024 86 E CA 1.317 57.622 56.400 -0.158 0.000 0.861 86 E CB -0.173 29.433 29.700 -0.156 0.000 0.788 86 E HN 0.683 nan 8.360 nan 0.000 0.521 87 M N 1.237 120.701 119.600 -0.228 0.000 2.279 87 M HA -0.054 4.429 4.480 0.006 0.000 0.264 87 M C 2.186 178.462 176.300 -0.041 0.000 1.062 87 M CA 1.640 56.843 55.300 -0.161 0.000 1.099 87 M CB -0.038 32.608 32.600 0.077 0.000 1.394 87 M HN 0.225 nan 8.290 nan 0.000 0.426 88 A N 0.388 123.210 122.820 0.003 0.000 2.015 88 A HA -0.150 4.173 4.320 0.006 0.000 0.219 88 A C 1.569 179.130 177.584 -0.038 0.000 1.163 88 A CA 1.794 53.846 52.037 0.025 0.000 0.646 88 A CB -0.688 18.337 19.000 0.041 0.000 0.806 88 A HN 0.611 nan 8.150 nan 0.000 0.448 89 D N -0.525 119.822 120.400 -0.088 0.000 2.312 89 D HA -0.066 4.578 4.640 0.006 0.000 0.211 89 D C 1.702 177.912 176.300 -0.149 0.000 0.964 89 D CA 0.838 54.781 54.000 -0.095 0.000 0.877 89 D CB -0.467 40.282 40.800 -0.085 0.000 0.924 89 D HN 0.474 nan 8.370 nan 0.000 0.515 90 c N 0.424 118.866 118.600 -0.262 0.000 2.419 90 c HA -0.114 4.460 4.570 0.006 0.000 0.283 90 c C 2.869 176.751 174.090 -0.346 0.000 1.373 90 c CA -0.116 55.951 56.329 -0.437 0.000 1.781 90 c CB -1.187 40.726 42.510 -0.996 0.000 1.886 90 c HN 0.457 nan 8.230 nan 0.000 0.520 91 c N 0.941 119.440 118.600 -0.169 0.000 2.457 91 c HA 0.009 4.583 4.570 0.006 0.000 0.278 91 c C 3.068 177.143 174.090 -0.025 0.000 1.309 91 c CA 0.940 57.253 56.329 -0.027 0.000 1.735 91 c CB -1.484 41.051 42.510 0.043 0.000 1.992 91 c HN 0.695 nan 8.230 nan 0.000 0.493 92 A N 0.279 123.076 122.820 -0.039 0.000 2.194 92 A HA -0.137 4.187 4.320 0.006 0.000 0.220 92 A C 0.996 178.564 177.584 -0.027 0.000 1.162 92 A CA 1.269 53.290 52.037 -0.027 0.000 0.674 92 A CB -0.375 18.607 19.000 -0.029 0.000 0.789 92 A HN 0.732 nan 8.150 nan 0.000 0.470 93 K N 0.086 120.460 120.400 -0.043 0.000 2.118 93 K HA 0.233 4.557 4.320 0.006 0.000 0.264 93 K C 0.749 177.345 176.600 -0.006 0.000 1.000 93 K CA -0.724 55.544 56.287 -0.032 0.000 0.929 93 K CB 0.523 32.989 32.500 -0.056 0.000 1.021 93 K HN 0.253 nan 8.250 nan 0.000 0.463 94 Q N 1.652 121.454 119.800 0.004 0.000 1.336 94 Q HA -0.237 4.107 4.340 0.006 0.000 0.641 94 Q C 1.244 177.267 176.000 0.037 0.000 0.951 94 Q CA 1.766 57.581 55.803 0.019 0.000 0.888 94 Q CB -0.246 28.503 28.738 0.017 0.000 0.929 94 Q HN 0.729 nan 8.270 nan 0.000 0.335 95 E N -0.763 119.463 120.200 0.044 0.000 3.863 95 E HA 0.074 4.428 4.350 0.006 0.000 0.197 95 E C -1.476 175.165 176.600 0.069 0.000 1.299 95 E CA 0.061 56.504 56.400 0.073 0.000 1.522 95 E CB -0.977 28.767 29.700 0.074 0.000 1.732 95 E HN 0.050 nan 8.360 nan 0.000 0.560 96 P HA -0.126 nan 4.420 nan 0.000 0.216 96 P C 0.702 178.018 177.300 0.026 0.000 1.154 96 P CA 2.023 65.134 63.100 0.019 0.000 0.865 96 P CB 0.085 31.787 31.700 0.004 0.000 0.789 97 E N -1.407 118.806 120.200 0.021 0.000 2.158 97 E HA -0.092 4.261 4.350 0.006 0.000 0.191 97 E C 2.141 178.743 176.600 0.004 0.000 0.982 97 E CA 0.553 56.961 56.400 0.013 0.000 0.823 97 E CB -0.456 29.244 29.700 0.002 0.000 0.766 97 E HN 0.111 nan 8.360 nan 0.000 0.468 98 R N 0.617 121.121 120.500 0.007 0.000 2.070 98 R HA -0.173 4.171 4.340 0.006 0.000 0.233 98 R C 2.066 178.382 176.300 0.026 0.000 1.137 98 R CA 1.951 58.021 56.100 -0.050 0.000 0.945 98 R CB -0.315 30.004 30.300 0.032 0.000 0.845 98 R HN 0.143 nan 8.270 nan 0.000 0.430 99 N N 0.028 118.856 118.700 0.214 0.000 2.149 99 N HA -0.177 4.567 4.740 0.006 0.000 0.188 99 N C 1.525 177.189 175.510 0.257 0.000 1.019 99 N CA 1.362 54.623 53.050 0.353 0.000 0.857 99 N CB 0.057 38.709 38.487 0.275 0.000 0.997 99 N HN 0.239 nan 8.380 nan 0.000 0.426 100 E N -0.072 120.213 120.200 0.142 0.000 2.204 100 E HA -0.163 4.191 4.350 0.006 0.000 0.195 100 E C 1.954 178.611 176.600 0.095 0.000 0.990 100 E CA 0.481 56.956 56.400 0.126 0.000 0.821 100 E CB -0.520 29.234 29.700 0.089 0.000 0.750 100 E HN 0.516 nan 8.360 nan 0.000 0.477 101 c N -0.466 118.167 118.600 0.055 0.000 2.486 101 c HA -0.011 4.563 4.570 0.006 0.000 0.279 101 c C 2.517 176.717 174.090 0.183 0.000 1.302 101 c CA -0.000 56.355 56.329 0.044 0.000 1.720 101 c CB -1.380 41.093 42.510 -0.062 0.000 2.030 101 c HN 0.345 nan 8.230 nan 0.000 0.490 102 F N 0.528 120.631 119.950 0.256 0.000 2.126 102 F HA -0.125 4.405 4.527 0.006 0.000 0.299 102 F C 2.195 178.199 175.800 0.340 0.000 1.096 102 F CA 1.324 59.523 58.000 0.332 0.000 1.255 102 F CB -0.422 38.757 39.000 0.298 0.000 0.997 102 F HN 0.170 nan 8.300 nan 0.000 0.479 103 L N -0.191 121.277 121.223 0.408 0.000 2.056 103 L HA -0.210 4.133 4.340 0.006 0.000 0.207 103 L C 2.443 179.345 176.870 0.054 0.000 1.078 103 L CA 1.540 56.509 54.840 0.214 0.000 0.749 103 L CB -0.703 41.425 42.059 0.115 0.000 0.901 103 L HN 0.056 nan 8.230 nan 0.000 0.433 104 Q N -0.735 119.036 119.800 -0.048 0.000 2.234 104 Q HA -0.177 4.167 4.340 0.006 0.000 0.206 104 Q C 1.260 177.070 176.000 -0.316 0.000 0.980 104 Q CA 1.256 56.909 55.803 -0.250 0.000 0.869 104 Q CB -0.274 28.187 28.738 -0.461 0.000 0.912 104 Q HN 0.666 nan 8.270 nan 0.000 0.436 105 H N -0.567 118.563 119.070 0.100 0.000 2.505 105 H HA 0.261 4.821 4.556 0.007 0.000 0.286 105 H C -0.094 175.274 175.328 0.066 0.000 1.072 105 H CA -0.109 55.998 56.048 0.099 0.000 1.141 105 H CB 0.529 30.369 29.762 0.129 0.000 1.550 105 H HN 0.041 nan 8.280 nan 0.000 0.547 106 K N 2.056 122.476 120.400 0.032 0.000 2.174 106 K HA 0.117 4.441 4.320 0.006 0.000 0.275 106 K C -0.130 176.442 176.600 -0.045 0.000 1.015 106 K CA -0.371 55.844 56.287 -0.120 0.000 0.933 106 K CB 1.006 33.227 32.500 -0.466 0.000 1.025 106 K HN 0.212 nan 8.250 nan 0.000 0.463 107 D N 0.882 121.267 120.400 -0.026 0.000 2.391 107 D HA 0.058 4.702 4.640 0.006 0.000 0.245 107 D C 0.104 176.422 176.300 0.031 0.000 1.069 107 D CA -0.573 53.447 54.000 0.034 0.000 0.831 107 D CB 1.631 42.463 40.800 0.053 0.000 1.204 107 D HN 0.372 nan 8.370 nan 0.000 0.503 108 D N 1.929 122.395 120.400 0.109 0.000 2.218 108 D HA -0.152 4.492 4.640 0.006 0.000 0.204 108 D C -0.262 176.049 176.300 0.018 0.000 0.976 108 D CA 0.885 54.956 54.000 0.119 0.000 0.853 108 D CB 0.045 40.940 40.800 0.158 0.000 0.939 108 D HN 0.476 nan 8.370 nan 0.000 0.481 109 N N -0.546 118.156 118.700 0.003 0.000 2.573 109 N HA 0.209 4.953 4.740 0.006 0.000 0.262 109 N C -2.451 173.046 175.510 -0.022 0.000 1.029 109 N CA -1.651 51.383 53.050 -0.027 0.000 0.882 109 N CB 1.983 40.457 38.487 -0.021 0.000 1.204 109 N HN -0.194 nan 8.380 nan 0.000 0.519 110 P HA 0.114 nan 4.420 nan 0.000 0.257 110 P C -0.898 176.385 177.300 -0.028 0.000 1.325 110 P CA -0.017 63.068 63.100 -0.025 0.000 0.850 110 P CB -0.154 31.524 31.700 -0.037 0.000 1.324 111 N N 0.177 118.857 118.700 -0.034 0.000 2.686 111 N HA -0.180 4.564 4.740 0.006 0.000 0.261 111 N C -0.281 175.210 175.510 -0.033 0.000 1.001 111 N CA 0.813 53.845 53.050 -0.030 0.000 0.764 111 N CB -1.914 36.562 38.487 -0.019 0.000 0.898 111 N HN 0.393 nan 8.380 nan 0.000 0.544 112 L N 0.610 121.805 121.223 -0.047 0.000 2.375 112 L HA 0.507 4.851 4.340 0.006 0.000 0.268 112 L C -1.241 175.603 176.870 -0.044 0.000 1.058 112 L CA -1.648 53.163 54.840 -0.048 0.000 0.803 112 L CB 0.559 42.574 42.059 -0.073 0.000 1.212 112 L HN 0.018 nan 8.230 nan 0.000 0.451 113 P HA 0.171 nan 4.420 nan 0.000 0.271 113 P C -0.894 176.385 177.300 -0.036 0.000 1.218 113 P CA -0.633 62.450 63.100 -0.028 0.000 0.780 113 P CB 0.572 32.261 31.700 -0.019 0.000 0.901 114 R N 1.002 121.488 120.500 -0.022 0.000 2.698 114 R HA 0.145 4.489 4.340 0.006 0.000 0.266 114 R C 0.170 176.456 176.300 -0.023 0.000 1.026 114 R CA 0.101 56.191 56.100 -0.018 0.000 1.102 114 R CB -0.670 29.631 30.300 0.003 0.000 0.978 114 R HN 0.480 nan 8.270 nan 0.000 0.436 115 L N 3.206 124.412 121.223 -0.028 0.000 2.315 115 L HA 0.176 4.519 4.340 0.006 0.000 0.283 115 L C -0.303 176.590 176.870 0.039 0.000 1.089 115 L CA -0.682 54.140 54.840 -0.031 0.000 0.833 115 L CB 0.569 42.584 42.059 -0.074 0.000 1.170 115 L HN 0.394 nan 8.230 nan 0.000 0.442 116 V N 1.954 121.902 119.914 0.057 0.000 2.383 116 V HA 0.380 4.504 4.120 0.006 0.000 0.275 116 V C 0.366 176.541 176.094 0.135 0.000 1.036 116 V CA -1.051 61.298 62.300 0.082 0.000 0.889 116 V CB 1.111 32.971 31.823 0.061 0.000 0.985 116 V HN 0.758 nan 8.190 nan 0.000 0.459 117 R N 5.429 126.012 120.500 0.139 0.000 2.473 117 R HA 0.237 4.581 4.340 0.006 0.000 0.315 117 R C -2.081 174.299 176.300 0.133 0.000 0.972 117 R CA -0.625 55.568 56.100 0.154 0.000 1.047 117 R CB 0.025 30.399 30.300 0.123 0.000 0.932 117 R HN 0.701 nan 8.270 nan 0.000 0.411 118 P HA 0.089 nan 4.420 nan 0.000 0.286 118 P C -0.848 176.515 177.300 0.104 0.000 1.293 118 P CA -0.467 62.708 63.100 0.126 0.000 0.770 118 P CB 0.468 32.257 31.700 0.148 0.000 1.206 119 E N -0.394 119.856 120.200 0.083 0.000 2.398 119 E HA 0.012 4.366 4.350 0.006 0.000 0.263 119 E C 1.466 178.108 176.600 0.070 0.000 1.046 119 E CA -0.103 56.335 56.400 0.063 0.000 0.908 119 E CB 0.372 30.099 29.700 0.046 0.000 0.963 119 E HN 0.037 nan 8.360 nan 0.000 0.431 120 V N 2.811 122.758 119.914 0.055 0.000 2.282 120 V HA -0.309 3.815 4.120 0.006 0.000 0.249 120 V C 1.662 177.778 176.094 0.038 0.000 1.057 120 V CA 2.090 64.422 62.300 0.052 0.000 1.032 120 V CB -0.361 31.474 31.823 0.020 0.000 0.645 120 V HN 0.607 nan 8.190 nan 0.000 0.447 121 D N 0.059 120.472 120.400 0.022 0.000 2.092 121 D HA -0.148 4.496 4.640 0.006 0.000 0.193 121 D C 2.241 178.544 176.300 0.005 0.000 0.994 121 D CA 1.795 55.800 54.000 0.008 0.000 0.828 121 D CB -0.237 40.566 40.800 0.005 0.000 0.963 121 D HN 0.356 nan 8.370 nan 0.000 0.450 122 V N 1.641 121.568 119.914 0.021 0.000 2.250 122 V HA -0.325 3.798 4.120 0.006 0.000 0.253 122 V C 2.613 178.709 176.094 0.004 0.000 1.065 122 V CA 1.794 64.111 62.300 0.029 0.000 1.039 122 V CB -0.515 31.344 31.823 0.060 0.000 0.647 122 V HN 0.217 nan 8.190 nan 0.000 0.446 123 M N -1.164 118.449 119.600 0.022 0.000 2.064 123 M HA -0.189 4.295 4.480 0.006 0.000 0.260 123 M C 2.447 178.567 176.300 -0.300 0.000 1.073 123 M CA 2.158 57.411 55.300 -0.078 0.000 1.124 123 M CB -0.675 32.047 32.600 0.202 0.000 1.326 123 M HN 0.438 nan 8.290 nan 0.000 0.410 124 c N 0.104 118.650 118.600 -0.090 0.000 2.401 124 c HA -0.159 4.415 4.570 0.006 0.000 0.276 124 c C 2.885 176.953 174.090 -0.036 0.000 1.233 124 c CA 1.435 57.723 56.329 -0.068 0.000 1.753 124 c CB -1.182 41.321 42.510 -0.011 0.000 2.029 124 c HN 0.585 nan 8.230 nan 0.000 0.478 125 T N 0.930 115.456 114.554 -0.048 0.000 2.708 125 T HA -0.139 4.214 4.350 0.006 0.000 0.266 125 T C 2.109 176.785 174.700 -0.040 0.000 1.037 125 T CA 1.764 63.846 62.100 -0.029 0.000 1.146 125 T CB -0.450 68.402 68.868 -0.027 0.000 0.865 125 T HN 0.656 nan 8.240 nan 0.000 0.435 126 A N 1.255 124.000 122.820 -0.125 0.000 1.865 126 A HA -0.098 4.226 4.320 0.006 0.000 0.217 126 A C 2.002 179.428 177.584 -0.263 0.000 1.191 126 A CA 1.806 53.755 52.037 -0.147 0.000 0.623 126 A CB -1.244 17.710 19.000 -0.076 0.000 0.826 126 A HN 0.500 nan 8.150 nan 0.000 0.444 127 F N 0.175 119.618 119.950 -0.845 0.000 2.111 127 F HA -0.355 4.176 4.527 0.006 0.000 0.300 127 F C 2.204 177.859 175.800 -0.242 0.000 1.088 127 F CA 2.764 60.337 58.000 -0.712 0.000 1.243 127 F CB -0.502 37.990 39.000 -0.847 0.000 0.996 127 F HN 0.563 nan 8.300 nan 0.000 0.483 128 H N -1.043 117.949 119.070 -0.130 0.000 2.372 128 H HA -0.054 4.506 4.556 0.006 0.000 0.301 128 H C 1.982 177.235 175.328 -0.125 0.000 1.065 128 H CA 1.678 57.652 56.048 -0.123 0.000 1.364 128 H CB -0.319 29.443 29.762 0.000 0.000 1.406 128 H HN 0.173 nan 8.280 nan 0.000 0.521 129 D N 0.143 120.605 120.400 0.104 0.000 2.092 129 D HA -0.164 4.479 4.640 0.006 0.000 0.193 129 D C 0.357 176.632 176.300 -0.041 0.000 0.994 129 D CA 1.664 55.699 54.000 0.059 0.000 0.828 129 D CB -0.023 40.806 40.800 0.049 0.000 0.963 129 D HN 0.450 nan 8.370 nan 0.000 0.450 130 N N -0.416 118.242 118.700 -0.070 0.000 2.732 130 N HA 0.021 4.765 4.740 0.006 0.000 0.235 130 N C 0.327 175.789 175.510 -0.081 0.000 1.466 130 N CA -0.099 52.913 53.050 -0.063 0.000 0.751 130 N CB 0.492 38.982 38.487 0.005 0.000 1.317 130 N HN -0.131 nan 8.380 nan 0.000 0.525 131 E N 0.825 120.890 120.200 -0.225 0.000 2.068 131 E HA -0.293 4.061 4.350 0.006 0.000 0.207 131 E C 0.861 177.418 176.600 -0.072 0.000 1.032 131 E CA 1.725 57.937 56.400 -0.314 0.000 0.839 131 E CB 0.243 29.617 29.700 -0.543 0.000 0.758 131 E HN 0.547 nan 8.360 nan 0.000 0.457 132 E N -0.364 119.804 120.200 -0.053 0.000 2.077 132 E HA -0.157 4.197 4.350 0.006 0.000 0.193 132 E C 2.238 178.885 176.600 0.079 0.000 0.989 132 E CA 1.541 57.952 56.400 0.019 0.000 0.800 132 E CB -0.530 29.180 29.700 0.017 0.000 0.746 132 E HN 0.310 nan 8.360 nan 0.000 0.452 133 T N 1.321 115.929 114.554 0.091 0.000 2.833 133 T HA -0.120 4.233 4.350 0.006 0.000 0.269 133 T C 1.514 176.252 174.700 0.064 0.000 1.054 133 T CA 1.014 63.198 62.100 0.140 0.000 1.135 133 T CB -0.347 68.609 68.868 0.147 0.000 0.869 133 T HN 0.179 nan 8.240 nan 0.000 0.466 134 F N 1.505 121.411 119.950 -0.073 0.000 2.128 134 F HA 0.005 4.536 4.527 0.006 0.000 0.295 134 F C 1.724 177.470 175.800 -0.090 0.000 1.100 134 F CA 0.809 58.746 58.000 -0.105 0.000 1.260 134 F CB -0.384 38.528 39.000 -0.146 0.000 1.009 134 F HN -0.040 nan 8.300 nan 0.000 0.476 135 L N 0.975 122.212 121.223 0.023 0.000 1.989 135 L HA -0.220 4.124 4.340 0.006 0.000 0.211 135 L C 2.412 179.248 176.870 -0.057 0.000 1.071 135 L CA 1.757 56.573 54.840 -0.041 0.000 0.749 135 L CB -1.236 40.882 42.059 0.099 0.000 0.890 135 L HN 0.068 nan 8.230 nan 0.000 0.431 136 K N -0.429 119.980 120.400 0.016 0.000 2.103 136 K HA -0.150 4.174 4.320 0.006 0.000 0.204 136 K C 2.091 178.712 176.600 0.034 0.000 1.052 136 K CA 0.762 57.114 56.287 0.108 0.000 0.945 136 K CB -0.166 32.491 32.500 0.262 0.000 0.722 136 K HN 0.294 nan 8.250 nan 0.000 0.443 137 K N 0.104 120.282 120.400 -0.369 0.000 2.063 137 K HA -0.182 4.142 4.320 0.006 0.000 0.208 137 K C 2.015 178.476 176.600 -0.232 0.000 1.048 137 K CA 1.403 57.242 56.287 -0.745 0.000 0.928 137 K CB -0.150 31.768 32.500 -0.969 0.000 0.713 137 K HN 0.002 nan 8.250 nan 0.000 0.442 138 Y N 0.534 120.612 120.300 -0.370 0.000 2.242 138 Y HA -0.174 4.379 4.550 0.006 0.000 0.291 138 Y C 1.991 177.765 175.900 -0.210 0.000 1.137 138 Y CA 0.905 58.810 58.100 -0.325 0.000 1.181 138 Y CB -0.217 37.951 38.460 -0.487 0.000 0.989 138 Y HN 0.101 nan 8.280 nan 0.000 0.527 139 L N -0.580 120.633 121.223 -0.017 0.000 2.012 139 L HA -0.257 4.086 4.340 0.006 0.000 0.210 139 L C 2.300 179.169 176.870 -0.002 0.000 1.073 139 L CA 1.911 56.746 54.840 -0.009 0.000 0.748 139 L CB -1.349 40.736 42.059 0.044 0.000 0.891 139 L HN 0.408 nan 8.230 nan 0.000 0.431 140 Y N 0.145 120.400 120.300 -0.074 0.000 2.128 140 Y HA -0.218 4.336 4.550 0.007 0.000 0.284 140 Y C 2.314 178.131 175.900 -0.138 0.000 1.154 140 Y CA 2.067 60.123 58.100 -0.072 0.000 1.149 140 Y CB -0.213 38.283 38.460 0.060 0.000 0.976 140 Y HN 0.276 nan 8.280 nan 0.000 0.505 141 E N 0.364 120.351 120.200 -0.356 0.000 2.106 141 E HA -0.163 4.191 4.350 0.006 0.000 0.192 141 E C 2.252 178.628 176.600 -0.372 0.000 0.984 141 E CA 1.214 57.308 56.400 -0.509 0.000 0.806 141 E CB -0.152 29.244 29.700 -0.508 0.000 0.750 141 E HN 0.520 nan 8.360 nan 0.000 0.458 142 I N 0.954 121.364 120.570 -0.266 0.000 2.286 142 I HA -0.143 4.030 4.170 0.006 0.000 0.245 142 I C 2.411 178.483 176.117 -0.074 0.000 1.104 142 I CA 0.850 62.066 61.300 -0.140 0.000 1.397 142 I CB -1.395 36.493 38.000 -0.186 0.000 1.072 142 I HN -0.071 nan 8.210 nan 0.000 0.417 143 A N 1.756 124.493 122.820 -0.139 0.000 1.930 143 A HA -0.197 4.126 4.320 0.006 0.000 0.217 143 A C 2.384 179.900 177.584 -0.112 0.000 1.175 143 A CA 1.541 53.526 52.037 -0.088 0.000 0.627 143 A CB -0.589 18.369 19.000 -0.071 0.000 0.815 143 A HN 0.532 nan 8.150 nan 0.000 0.443 144 R N -0.824 119.526 120.500 -0.250 0.000 2.236 144 R HA 0.063 4.407 4.340 0.006 0.000 0.208 144 R C 1.736 177.930 176.300 -0.177 0.000 1.036 144 R CA 1.097 57.059 56.100 -0.231 0.000 1.001 144 R CB -0.292 29.795 30.300 -0.355 0.000 0.896 144 R HN 0.399 nan 8.270 nan 0.000 0.464 145 R N -0.102 120.297 120.500 -0.169 0.000 2.240 145 R HA 0.088 4.432 4.340 0.006 0.000 0.203 145 R C 0.167 176.244 176.300 -0.372 0.000 1.011 145 R CA 0.604 56.565 56.100 -0.232 0.000 1.007 145 R CB 0.269 30.443 30.300 -0.210 0.000 0.911 145 R HN 0.403 nan 8.270 nan 0.000 0.468 146 H N -0.418 118.627 119.070 -0.042 0.000 2.616 146 H HA 0.154 4.713 4.556 0.006 0.000 0.229 146 H C -1.974 173.387 175.328 0.055 0.000 1.418 146 H CA -1.463 54.619 56.048 0.057 0.000 1.248 146 H CB 1.256 31.090 29.762 0.119 0.000 1.822 146 H HN 0.057 nan 8.280 nan 0.000 0.522 147 P HA -0.198 nan 4.420 nan 0.000 0.220 147 P C 0.528 177.661 177.300 -0.278 0.000 1.144 147 P CA 1.402 64.380 63.100 -0.203 0.000 0.800 147 P CB 0.035 31.506 31.700 -0.381 0.000 0.772 148 Y N -2.923 117.416 120.300 0.064 0.000 2.458 148 Y HA 0.272 4.826 4.550 0.007 0.000 0.256 148 Y C 1.040 177.031 175.900 0.152 0.000 1.159 148 Y CA -0.923 57.217 58.100 0.065 0.000 1.261 148 Y CB -0.595 37.873 38.460 0.013 0.000 1.119 148 Y HN -0.217 nan 8.280 nan 0.000 0.524 149 F N 1.491 121.566 119.950 0.209 0.000 2.571 149 F HA -0.027 4.504 4.527 0.007 0.000 0.384 149 F C 0.534 176.460 175.800 0.210 0.000 1.058 149 F CA -0.917 57.200 58.000 0.196 0.000 1.200 149 F CB -0.196 38.886 39.000 0.135 0.000 1.077 149 F HN 0.138 nan 8.300 nan 0.000 0.558 150 Y N 6.793 127.202 120.300 0.181 0.000 2.815 150 Y HA 0.071 4.625 4.550 0.007 0.000 0.346 150 Y C 1.269 177.349 175.900 0.300 0.000 1.267 150 Y CA -0.034 58.180 58.100 0.190 0.000 1.604 150 Y CB 0.596 39.117 38.460 0.101 0.000 1.218 150 Y HN 0.834 nan 8.280 nan 0.000 0.527 151 A N 7.295 130.048 122.820 -0.112 0.000 1.884 151 A HA -0.200 4.124 4.320 0.006 0.000 0.219 151 A C -0.515 176.965 177.584 -0.173 0.000 1.197 151 A CA 1.870 53.841 52.037 -0.110 0.000 0.637 151 A CB -1.754 17.174 19.000 -0.120 0.000 0.827 151 A HN 0.749 nan 8.150 nan 0.000 0.450 152 P HA -0.105 nan 4.420 nan 0.000 0.222 152 P C 1.286 178.648 177.300 0.103 0.000 1.147 152 P CA 1.549 64.552 63.100 -0.162 0.000 0.790 152 P CB 0.041 31.617 31.700 -0.207 0.000 0.780 153 E N -0.708 119.577 120.200 0.143 0.000 2.158 153 E HA -0.060 4.294 4.350 0.006 0.000 0.191 153 E C 1.913 178.815 176.600 0.503 0.000 0.982 153 E CA 0.417 57.014 56.400 0.329 0.000 0.823 153 E CB -0.604 29.385 29.700 0.481 0.000 0.766 153 E HN 0.087 nan 8.360 nan 0.000 0.468 154 L N 0.436 121.905 121.223 0.410 0.000 2.012 154 L HA -0.179 4.164 4.340 0.006 0.000 0.210 154 L C 2.448 179.425 176.870 0.178 0.000 1.073 154 L CA 0.821 55.742 54.840 0.134 0.000 0.748 154 L CB -0.354 41.689 42.059 -0.026 0.000 0.891 154 L HN 0.335 nan 8.230 nan 0.000 0.431 155 L N -0.946 120.361 121.223 0.139 0.000 2.127 155 L HA -0.230 4.113 4.340 0.006 0.000 0.211 155 L C 2.173 179.104 176.870 0.101 0.000 1.089 155 L CA 1.716 56.610 54.840 0.091 0.000 0.757 155 L CB -0.627 41.450 42.059 0.030 0.000 0.899 155 L HN 0.028 nan 8.230 nan 0.000 0.434 156 F N -1.267 118.657 119.950 -0.043 0.000 2.102 156 F HA -0.231 4.300 4.527 0.007 0.000 0.298 156 F C 2.082 177.811 175.800 -0.118 0.000 1.105 156 F CA 1.843 59.741 58.000 -0.170 0.000 1.239 156 F CB -0.358 38.388 39.000 -0.424 0.000 0.991 156 F HN 0.051 nan 8.300 nan 0.000 0.474 157 F N -0.098 120.015 119.950 0.271 0.000 2.134 157 F HA -0.201 4.330 4.527 0.006 0.000 0.299 157 F C 2.503 178.481 175.800 0.297 0.000 1.097 157 F CA 1.174 59.315 58.000 0.235 0.000 1.264 157 F CB -1.336 37.785 39.000 0.202 0.000 1.001 157 F HN -0.059 nan 8.300 nan 0.000 0.479 158 A N -0.259 122.803 122.820 0.403 0.000 1.986 158 A HA -0.250 4.074 4.320 0.006 0.000 0.220 158 A C 2.205 179.967 177.584 0.296 0.000 1.171 158 A CA 1.872 54.103 52.037 0.324 0.000 0.640 158 A CB -0.679 18.416 19.000 0.158 0.000 0.811 158 A HN 0.369 nan 8.150 nan 0.000 0.451 159 K N -0.940 119.566 120.400 0.176 0.000 2.155 159 K HA -0.056 4.268 4.320 0.006 0.000 0.203 159 K C 2.255 178.937 176.600 0.137 0.000 1.052 159 K CA 1.214 57.561 56.287 0.101 0.000 0.948 159 K CB -0.092 32.377 32.500 -0.052 0.000 0.728 159 K HN 0.431 nan 8.250 nan 0.000 0.448 160 R N -0.783 119.806 120.500 0.150 0.000 2.119 160 R HA -0.051 4.293 4.340 0.006 0.000 0.222 160 R C 1.915 178.264 176.300 0.081 0.000 1.088 160 R CA 1.066 57.216 56.100 0.083 0.000 0.984 160 R CB -0.195 30.130 30.300 0.043 0.000 0.884 160 R HN 0.204 nan 8.270 nan 0.000 0.447 161 Y N 1.326 121.728 120.300 0.170 0.000 2.165 161 Y HA -0.285 4.268 4.550 0.006 0.000 0.286 161 Y C 2.509 178.608 175.900 0.332 0.000 1.155 161 Y CA 1.775 59.993 58.100 0.198 0.000 1.164 161 Y CB -0.091 38.545 38.460 0.293 0.000 0.978 161 Y HN 0.011 nan 8.280 nan 0.000 0.513 162 K N 0.383 121.091 120.400 0.512 0.000 2.057 162 K HA -0.160 4.163 4.320 0.006 0.000 0.207 162 K C 2.229 179.050 176.600 0.368 0.000 1.049 162 K CA 1.235 57.831 56.287 0.515 0.000 0.931 162 K CB -0.346 32.371 32.500 0.362 0.000 0.714 162 K HN 0.200 nan 8.250 nan 0.000 0.440 163 A N 1.139 124.087 122.820 0.214 0.000 1.902 163 A HA -0.078 4.245 4.320 0.006 0.000 0.217 163 A C 2.383 179.993 177.584 0.044 0.000 1.181 163 A CA 1.825 53.932 52.037 0.117 0.000 0.623 163 A CB -0.888 18.151 19.000 0.064 0.000 0.818 163 A HN 0.523 nan 8.150 nan 0.000 0.443 164 A N -1.656 121.151 122.820 -0.022 0.000 2.015 164 A HA 0.111 4.435 4.320 0.006 0.000 0.219 164 A C 1.876 179.298 177.584 -0.270 0.000 1.163 164 A CA 1.258 53.189 52.037 -0.177 0.000 0.646 164 A CB -0.594 18.225 19.000 -0.302 0.000 0.806 164 A HN 0.439 nan 8.150 nan 0.000 0.448 165 F N 0.370 120.208 119.950 -0.187 0.000 2.149 165 F HA -0.067 4.464 4.527 0.006 0.000 0.294 165 F C 2.743 178.159 175.800 -0.639 0.000 1.095 165 F CA 1.906 59.544 58.000 -0.603 0.000 1.276 165 F CB -0.915 37.467 39.000 -1.031 0.000 1.023 165 F HN 0.121 nan 8.300 nan 0.000 0.480 166 T N -0.723 113.806 114.554 -0.042 0.000 2.788 166 T HA -0.211 4.143 4.350 0.006 0.000 0.268 166 T C 1.870 176.608 174.700 0.062 0.000 1.044 166 T CA 1.530 63.737 62.100 0.179 0.000 1.139 166 T CB -0.268 68.764 68.868 0.273 0.000 0.867 166 T HN 0.306 nan 8.240 nan 0.000 0.454 167 E N -0.126 120.079 120.200 0.008 0.000 2.015 167 E HA -0.120 4.234 4.350 0.006 0.000 0.191 167 E C 2.124 178.700 176.600 -0.040 0.000 0.991 167 E CA 1.222 57.615 56.400 -0.011 0.000 0.802 167 E CB -0.074 29.610 29.700 -0.026 0.000 0.759 167 E HN 0.448 nan 8.360 nan 0.000 0.447 168 c N 0.122 118.664 118.600 -0.096 0.000 2.485 168 c HA 0.050 4.624 4.570 0.006 0.000 0.277 168 c C 2.603 176.647 174.090 -0.076 0.000 1.376 168 c CA -0.295 55.976 56.329 -0.097 0.000 1.759 168 c CB -0.729 41.695 42.510 -0.144 0.000 1.970 168 c HN 0.603 nan 8.230 nan 0.000 0.509 169 c N 1.697 120.242 118.600 -0.091 0.000 2.460 169 c HA -0.090 4.484 4.570 0.006 0.000 0.291 169 c C 2.060 176.151 174.090 0.002 0.000 1.493 169 c CA 1.195 57.493 56.329 -0.050 0.000 1.748 169 c CB -2.148 40.314 42.510 -0.079 0.000 1.656 169 c HN 0.778 nan 8.230 nan 0.000 0.576 170 Q N -0.678 119.126 119.800 0.006 0.000 2.103 170 Q HA 0.479 4.823 4.340 0.006 0.000 0.219 170 Q C 0.427 176.430 176.000 0.005 0.000 0.784 170 Q CA -0.001 55.812 55.803 0.018 0.000 1.014 170 Q CB 0.112 28.876 28.738 0.042 0.000 1.183 170 Q HN 0.365 nan 8.270 nan 0.000 0.469 171 A N 1.311 124.126 122.820 -0.008 0.000 2.387 171 A HA 0.526 4.849 4.320 0.006 0.000 0.251 171 A C 1.440 179.019 177.584 -0.009 0.000 1.113 171 A CA 0.445 52.476 52.037 -0.011 0.000 0.794 171 A CB -0.070 18.917 19.000 -0.021 0.000 1.069 171 A HN 0.431 nan 8.150 nan 0.000 0.506 172 A N -1.013 121.802 122.820 -0.009 0.000 1.902 172 A HA -0.021 4.303 4.320 0.006 0.000 0.217 172 A C 1.030 178.608 177.584 -0.010 0.000 1.181 172 A CA 1.889 53.921 52.037 -0.008 0.000 0.623 172 A CB -0.151 18.845 19.000 -0.007 0.000 0.818 172 A HN 0.739 nan 8.150 nan 0.000 0.443 173 D N -1.017 119.375 120.400 -0.013 0.000 2.434 173 D HA 0.288 4.932 4.640 0.006 0.000 0.275 173 D C 0.523 176.811 176.300 -0.021 0.000 1.172 173 D CA -0.214 53.777 54.000 -0.015 0.000 0.916 173 D CB 0.508 41.300 40.800 -0.014 0.000 1.041 173 D HN 0.220 nan 8.370 nan 0.000 0.501 174 K N 0.948 121.336 120.400 -0.021 0.000 2.023 174 K HA -0.301 4.022 4.320 0.006 0.000 0.227 174 K C 1.864 178.442 176.600 -0.036 0.000 1.054 174 K CA 2.332 58.602 56.287 -0.029 0.000 0.977 174 K CB -0.040 32.447 32.500 -0.021 0.000 0.733 174 K HN 0.367 nan 8.250 nan 0.000 0.451 175 A N 0.760 123.565 122.820 -0.024 0.000 1.978 175 A HA -0.157 4.167 4.320 0.006 0.000 0.220 175 A C 2.285 179.853 177.584 -0.028 0.000 1.170 175 A CA 2.025 54.048 52.037 -0.023 0.000 0.636 175 A CB -0.747 18.247 19.000 -0.010 0.000 0.810 175 A HN 0.475 nan 8.150 nan 0.000 0.448 176 A N -1.222 121.583 122.820 -0.025 0.000 1.908 176 A HA -0.229 4.095 4.320 0.006 0.000 0.218 176 A C 2.425 179.990 177.584 -0.033 0.000 1.181 176 A CA 1.798 53.821 52.037 -0.024 0.000 0.627 176 A CB -1.310 17.678 19.000 -0.019 0.000 0.818 176 A HN 0.760 nan 8.150 nan 0.000 0.445 177 c N -1.321 117.253 118.600 -0.043 0.000 2.500 177 c HA 0.173 4.746 4.570 0.006 0.000 0.279 177 c C 2.440 176.480 174.090 -0.083 0.000 1.288 177 c CA 0.986 57.281 56.329 -0.057 0.000 1.710 177 c CB -1.082 41.392 42.510 -0.059 0.000 2.052 177 c HN 0.601 nan 8.230 nan 0.000 0.488 178 L N 0.145 121.307 121.223 -0.102 0.000 2.095 178 L HA 0.011 4.355 4.340 0.006 0.000 0.204 178 L C 2.420 179.212 176.870 -0.129 0.000 1.080 178 L CA 1.242 55.986 54.840 -0.160 0.000 0.759 178 L CB -0.656 41.290 42.059 -0.188 0.000 0.914 178 L HN 0.287 nan 8.230 nan 0.000 0.439 179 L N 0.749 121.927 121.223 -0.075 0.000 1.970 179 L HA -0.133 4.211 4.340 0.006 0.000 0.212 179 L C -0.283 176.564 176.870 -0.039 0.000 1.071 179 L CA 2.214 57.028 54.840 -0.044 0.000 0.751 179 L CB -2.281 39.767 42.059 -0.018 0.000 0.889 179 L HN 0.098 nan 8.230 nan 0.000 0.432 180 P HA -0.199 nan 4.420 nan 0.000 0.216 180 P C 1.559 178.830 177.300 -0.048 0.000 1.150 180 P CA 1.552 64.634 63.100 -0.030 0.000 0.843 180 P CB -0.025 31.658 31.700 -0.029 0.000 0.787 181 K N -0.886 119.465 120.400 -0.083 0.000 2.097 181 K HA -0.038 4.285 4.320 0.006 0.000 0.205 181 K C 2.067 178.578 176.600 -0.147 0.000 1.050 181 K CA 1.062 57.278 56.287 -0.120 0.000 0.938 181 K CB -0.533 31.869 32.500 -0.163 0.000 0.718 181 K HN 0.207 nan 8.250 nan 0.000 0.442 182 L N 0.763 121.915 121.223 -0.119 0.000 2.044 182 L HA -0.163 4.181 4.340 0.006 0.000 0.205 182 L C 1.993 178.866 176.870 0.006 0.000 1.075 182 L CA 0.913 55.723 54.840 -0.051 0.000 0.747 182 L CB -0.469 41.597 42.059 0.012 0.000 0.903 182 L HN 0.104 nan 8.230 nan 0.000 0.435 183 D N 0.484 120.887 120.400 0.006 0.000 2.127 183 D HA -0.227 4.416 4.640 0.006 0.000 0.190 183 D C 2.105 178.415 176.300 0.017 0.000 1.000 183 D CA 1.462 55.475 54.000 0.022 0.000 0.839 183 D CB -0.110 40.702 40.800 0.020 0.000 0.955 183 D HN 0.332 nan 8.370 nan 0.000 0.446 184 E N -0.288 119.911 120.200 -0.003 0.000 2.085 184 E HA -0.171 4.182 4.350 0.006 0.000 0.194 184 E C 2.118 178.724 176.600 0.010 0.000 0.994 184 E CA 0.390 56.797 56.400 0.011 0.000 0.801 184 E CB -0.030 29.674 29.700 0.006 0.000 0.743 184 E HN 0.122 nan 8.360 nan 0.000 0.453 185 L N 0.903 122.090 121.223 -0.060 0.000 2.046 185 L HA -0.157 4.187 4.340 0.006 0.000 0.208 185 L C 2.358 179.212 176.870 -0.027 0.000 1.077 185 L CA 1.515 56.288 54.840 -0.111 0.000 0.747 185 L CB -0.842 40.910 42.059 -0.513 0.000 0.896 185 L HN 0.048 nan 8.230 nan 0.000 0.432 186 R N -0.381 120.140 120.500 0.036 0.000 2.070 186 R HA -0.177 4.167 4.340 0.006 0.000 0.233 186 R C 1.901 178.213 176.300 0.020 0.000 1.137 186 R CA 1.752 57.886 56.100 0.057 0.000 0.945 186 R CB -0.104 30.247 30.300 0.084 0.000 0.845 186 R HN 0.323 nan 8.270 nan 0.000 0.430 187 D N 0.395 120.822 120.400 0.044 0.000 2.137 187 D HA -0.205 4.439 4.640 0.006 0.000 0.189 187 D C 1.796 178.136 176.300 0.065 0.000 0.998 187 D CA 1.793 55.834 54.000 0.067 0.000 0.839 187 D CB -0.417 40.439 40.800 0.093 0.000 0.962 187 D HN 0.377 nan 8.370 nan 0.000 0.446 188 E N 0.206 120.458 120.200 0.085 0.000 2.048 188 E HA -0.200 4.153 4.350 0.006 0.000 0.202 188 E C 2.234 178.788 176.600 -0.077 0.000 1.021 188 E CA 1.378 57.846 56.400 0.113 0.000 0.825 188 E CB -0.535 29.341 29.700 0.293 0.000 0.756 188 E HN 0.339 nan 8.360 nan 0.000 0.454 189 G N 1.580 110.172 108.800 -0.346 0.000 2.553 189 G HA2 -0.406 3.558 3.960 0.006 0.000 0.218 189 G HA3 -0.406 3.558 3.960 0.006 0.000 0.218 189 G C 1.363 176.178 174.900 -0.142 0.000 1.195 189 G CA 1.341 46.120 45.100 -0.535 0.000 0.779 189 G HN 0.167 nan 8.290 nan 0.000 0.577 190 K N 0.358 120.718 120.400 -0.067 0.000 2.044 190 K HA -0.292 4.032 4.320 0.006 0.000 0.224 190 K C 2.832 179.456 176.600 0.041 0.000 1.056 190 K CA 2.086 58.385 56.287 0.019 0.000 0.962 190 K CB -0.548 31.973 32.500 0.035 0.000 0.730 190 K HN 0.264 nan 8.250 nan 0.000 0.453 191 A N 0.238 123.081 122.820 0.038 0.000 1.892 191 A HA -0.226 4.098 4.320 0.006 0.000 0.218 191 A C 2.213 179.815 177.584 0.031 0.000 1.188 191 A CA 2.578 54.634 52.037 0.031 0.000 0.631 191 A CB -0.937 18.082 19.000 0.032 0.000 0.822 191 A HN 0.567 nan 8.150 nan 0.000 0.447 192 S N -0.970 114.775 115.700 0.074 0.000 2.355 192 S HA -0.141 4.332 4.470 0.006 0.000 0.222 192 S C 2.301 176.867 174.600 -0.058 0.000 1.031 192 S CA 1.820 60.076 58.200 0.093 0.000 0.993 192 S CB -0.574 62.824 63.200 0.330 0.000 0.859 192 S HN 0.607 nan 8.310 nan 0.000 0.453 193 S N 0.506 116.229 115.700 0.038 0.000 2.402 193 S HA -0.050 4.424 4.470 0.006 0.000 0.233 193 S C 1.861 176.452 174.600 -0.015 0.000 1.030 193 S CA 1.547 59.749 58.200 0.003 0.000 1.003 193 S CB -0.640 62.735 63.200 0.290 0.000 0.813 193 S HN 0.732 nan 8.310 nan 0.000 0.477 194 A N 0.209 123.034 122.820 0.009 0.000 1.997 194 A HA 0.247 4.571 4.320 0.006 0.000 0.212 194 A C 2.023 179.591 177.584 -0.028 0.000 1.178 194 A CA 0.881 52.922 52.037 0.006 0.000 0.698 194 A CB -0.412 18.601 19.000 0.022 0.000 0.842 194 A HN 0.522 nan 8.150 nan 0.000 0.458 195 K N -0.110 120.264 120.400 -0.043 0.000 2.063 195 K HA -0.202 4.122 4.320 0.006 0.000 0.208 195 K C 2.224 178.782 176.600 -0.071 0.000 1.048 195 K CA 1.848 58.099 56.287 -0.060 0.000 0.928 195 K CB -0.154 32.311 32.500 -0.057 0.000 0.713 195 K HN 0.610 nan 8.250 nan 0.000 0.442 196 Q N -0.366 119.376 119.800 -0.096 0.000 2.084 196 Q HA -0.123 4.221 4.340 0.006 0.000 0.202 196 Q C 2.240 178.197 176.000 -0.072 0.000 0.978 196 Q CA 1.076 56.820 55.803 -0.098 0.000 0.844 196 Q CB 0.001 28.628 28.738 -0.186 0.000 0.898 196 Q HN 0.167 nan 8.270 nan 0.000 0.426 197 R N 0.481 120.939 120.500 -0.070 0.000 2.066 197 R HA -0.117 4.227 4.340 0.006 0.000 0.232 197 R C 2.314 178.584 176.300 -0.050 0.000 1.131 197 R CA 0.823 56.883 56.100 -0.068 0.000 0.955 197 R CB -0.574 29.699 30.300 -0.046 0.000 0.851 197 R HN 0.234 nan 8.270 nan 0.000 0.432 198 L N 2.016 123.218 121.223 -0.035 0.000 2.013 198 L HA -0.227 4.116 4.340 0.006 0.000 0.212 198 L C 2.176 179.039 176.870 -0.012 0.000 1.073 198 L CA 1.943 56.770 54.840 -0.022 0.000 0.753 198 L CB -0.683 41.356 42.059 -0.032 0.000 0.890 198 L HN 0.033 nan 8.230 nan 0.000 0.432 199 K N -1.266 119.125 120.400 -0.014 0.000 2.001 199 K HA -0.234 4.090 4.320 0.006 0.000 0.214 199 K C 2.111 178.805 176.600 0.155 0.000 1.050 199 K CA 2.318 58.650 56.287 0.074 0.000 0.934 199 K CB -0.412 32.174 32.500 0.143 0.000 0.718 199 K HN 0.547 nan 8.250 nan 0.000 0.443 200 c N -0.207 118.402 118.600 0.015 0.000 2.453 200 c HA -0.004 4.570 4.570 0.006 0.000 0.277 200 c C 2.824 176.844 174.090 -0.116 0.000 1.262 200 c CA 0.750 56.996 56.329 -0.139 0.000 1.718 200 c CB -0.813 41.577 42.510 -0.201 0.000 2.031 200 c HN 0.628 nan 8.230 nan 0.000 0.480 201 A N 0.282 123.049 122.820 -0.088 0.000 2.015 201 A HA -0.147 4.177 4.320 0.006 0.000 0.219 201 A C 2.302 179.831 177.584 -0.091 0.000 1.163 201 A CA 2.095 54.071 52.037 -0.101 0.000 0.646 201 A CB -0.697 18.251 19.000 -0.087 0.000 0.806 201 A HN 0.604 nan 8.150 nan 0.000 0.448 202 S N -0.693 115.014 115.700 0.011 0.000 2.414 202 S HA -0.087 4.387 4.470 0.006 0.000 0.227 202 S C 1.905 176.601 174.600 0.161 0.000 1.022 202 S CA 1.109 59.390 58.200 0.135 0.000 0.958 202 S CB -0.439 62.923 63.200 0.270 0.000 0.797 202 S HN 0.435 nan 8.310 nan 0.000 0.493 203 L N 1.850 123.147 121.223 0.122 0.000 2.043 203 L HA -0.088 4.256 4.340 0.006 0.000 0.212 203 L C 2.533 179.385 176.870 -0.030 0.000 1.075 203 L CA 2.269 57.147 54.840 0.064 0.000 0.752 203 L CB -1.173 40.809 42.059 -0.129 0.000 0.891 203 L HN 0.364 nan 8.230 nan 0.000 0.432 204 Q N -0.102 119.633 119.800 -0.108 0.000 2.020 204 Q HA -0.225 4.118 4.340 0.006 0.000 0.198 204 Q C 2.405 178.278 176.000 -0.210 0.000 0.974 204 Q CA 2.311 58.025 55.803 -0.149 0.000 0.829 204 Q CB -0.244 28.398 28.738 -0.159 0.000 0.894 204 Q HN 0.568 nan 8.270 nan 0.000 0.433 205 K N -1.213 118.953 120.400 -0.390 0.000 2.103 205 K HA -0.066 4.257 4.320 0.006 0.000 0.204 205 K C 1.232 177.507 176.600 -0.542 0.000 1.052 205 K CA 1.302 57.223 56.287 -0.610 0.000 0.945 205 K CB -0.083 31.780 32.500 -1.061 0.000 0.722 205 K HN 0.247 nan 8.250 nan 0.000 0.443 206 F N 0.361 120.324 119.950 0.022 0.000 2.721 206 F HA 0.338 4.871 4.527 0.010 0.000 0.301 206 F C 1.012 176.845 175.800 0.054 0.000 1.096 206 F CA -0.040 57.983 58.000 0.039 0.000 1.308 206 F CB 0.565 39.594 39.000 0.047 0.000 1.086 206 F HN 0.186 nan 8.300 nan 0.000 0.587 207 G N 1.489 110.375 108.800 0.144 0.000 2.846 207 G HA2 -0.325 3.639 3.960 0.006 0.000 0.660 207 G HA3 -0.325 3.639 3.960 0.006 0.000 0.660 207 G C 0.445 175.449 174.900 0.173 0.000 1.464 207 G CA 0.105 45.274 45.100 0.115 0.000 0.891 207 G HN 0.419 nan 8.290 nan 0.000 0.552 208 E N -0.123 120.154 120.200 0.127 0.000 2.150 208 E HA -0.128 4.226 4.350 0.006 0.000 0.193 208 E C 2.386 179.121 176.600 0.224 0.000 0.985 208 E CA 1.292 57.787 56.400 0.159 0.000 0.814 208 E CB -0.056 29.691 29.700 0.079 0.000 0.752 208 E HN 0.599 nan 8.360 nan 0.000 0.466 209 R N 0.210 120.815 120.500 0.174 0.000 2.070 209 R HA -0.144 4.199 4.340 0.006 0.000 0.233 209 R C 2.245 178.662 176.300 0.195 0.000 1.137 209 R CA 1.647 57.848 56.100 0.168 0.000 0.945 209 R CB -0.422 29.957 30.300 0.131 0.000 0.845 209 R HN 0.229 nan 8.270 nan 0.000 0.430 210 A N 0.044 122.983 122.820 0.199 0.000 1.969 210 A HA -0.139 4.185 4.320 0.006 0.000 0.218 210 A C 1.994 179.696 177.584 0.196 0.000 1.169 210 A CA 0.998 53.137 52.037 0.170 0.000 0.635 210 A CB -0.734 18.351 19.000 0.141 0.000 0.810 210 A HN 0.552 nan 8.150 nan 0.000 0.445 211 F N 0.809 120.842 119.950 0.139 0.000 2.126 211 F HA -0.200 4.332 4.527 0.007 0.000 0.299 211 F C 2.182 178.104 175.800 0.204 0.000 1.096 211 F CA 2.233 60.319 58.000 0.144 0.000 1.255 211 F CB -0.044 39.027 39.000 0.117 0.000 0.997 211 F HN 0.111 nan 8.300 nan 0.000 0.479 212 K N -0.063 120.540 120.400 0.339 0.000 2.148 212 K HA -0.104 4.219 4.320 0.006 0.000 0.204 212 K C 2.277 178.957 176.600 0.134 0.000 1.050 212 K CA 0.914 57.349 56.287 0.246 0.000 0.942 212 K CB -0.428 32.209 32.500 0.228 0.000 0.724 212 K HN 0.360 nan 8.250 nan 0.000 0.446 213 A N 0.989 123.887 122.820 0.131 0.000 1.858 213 A HA -0.211 4.113 4.320 0.006 0.000 0.216 213 A C 1.913 179.525 177.584 0.048 0.000 1.190 213 A CA 1.414 53.509 52.037 0.097 0.000 0.617 213 A CB -1.087 17.972 19.000 0.099 0.000 0.827 213 A HN 0.593 nan 8.150 nan 0.000 0.443 214 W N 0.693 121.891 121.300 -0.170 0.000 2.304 214 W HA -0.289 4.373 4.660 0.004 0.000 0.315 214 W C 2.462 178.825 176.519 -0.259 0.000 1.233 214 W CA 2.992 60.188 57.345 -0.249 0.000 1.261 214 W CB -0.245 28.987 29.460 -0.379 0.000 1.150 214 W HN 0.389 nan 8.180 nan 0.000 0.494 215 A N -0.376 122.436 122.820 -0.013 0.000 1.877 215 A HA -0.199 4.125 4.320 0.006 0.000 0.216 215 A C 2.010 179.502 177.584 -0.155 0.000 1.186 215 A CA 2.500 54.477 52.037 -0.099 0.000 0.620 215 A CB -1.327 17.715 19.000 0.068 0.000 0.822 215 A HN 0.216 nan 8.150 nan 0.000 0.443 216 V N -0.008 119.876 119.914 -0.049 0.000 2.282 216 V HA -0.316 3.808 4.120 0.006 0.000 0.249 216 V C 3.054 179.102 176.094 -0.076 0.000 1.057 216 V CA 2.205 64.507 62.300 0.002 0.000 1.032 216 V CB -1.373 30.512 31.823 0.103 0.000 0.645 216 V HN 0.640 nan 8.190 nan 0.000 0.447 217 A N 0.067 122.780 122.820 -0.178 0.000 1.877 217 A HA -0.242 4.082 4.320 0.006 0.000 0.216 217 A C 2.318 179.679 177.584 -0.371 0.000 1.186 217 A CA 2.145 54.034 52.037 -0.246 0.000 0.620 217 A CB -0.538 18.291 19.000 -0.285 0.000 0.822 217 A HN 0.443 nan 8.150 nan 0.000 0.443 218 R N -0.141 119.985 120.500 -0.623 0.000 2.075 218 R HA 0.056 4.399 4.340 0.006 0.000 0.232 218 R C 1.868 177.895 176.300 -0.456 0.000 1.126 218 R CA 1.454 57.150 56.100 -0.674 0.000 0.963 218 R CB -0.812 28.792 30.300 -1.160 0.000 0.858 218 R HN 0.512 nan 8.270 nan 0.000 0.435 219 L N -0.340 120.684 121.223 -0.333 0.000 2.109 219 L HA -0.077 4.267 4.340 0.006 0.000 0.207 219 L C 2.154 178.940 176.870 -0.140 0.000 1.086 219 L CA 1.374 56.079 54.840 -0.226 0.000 0.760 219 L CB -0.269 41.795 42.059 0.009 0.000 0.910 219 L HN 0.159 nan 8.230 nan 0.000 0.437 220 S N -0.635 115.028 115.700 -0.061 0.000 2.402 220 S HA -0.198 4.276 4.470 0.006 0.000 0.229 220 S C 1.896 176.427 174.600 -0.116 0.000 1.021 220 S CA 1.055 59.267 58.200 0.020 0.000 0.974 220 S CB -0.169 63.077 63.200 0.076 0.000 0.800 220 S HN 0.477 nan 8.310 nan 0.000 0.484 221 Q N 0.380 120.057 119.800 -0.206 0.000 2.119 221 Q HA -0.020 4.324 4.340 0.006 0.000 0.201 221 Q C 2.367 178.217 176.000 -0.251 0.000 0.972 221 Q CA 0.979 56.645 55.803 -0.227 0.000 0.847 221 Q CB -0.124 28.469 28.738 -0.242 0.000 0.903 221 Q HN 0.198 nan 8.270 nan 0.000 0.433 222 R N 0.169 120.436 120.500 -0.387 0.000 2.073 222 R HA 0.009 4.353 4.340 0.006 0.000 0.229 222 R C 0.221 176.271 176.300 -0.417 0.000 1.120 222 R CA 1.125 56.885 56.100 -0.567 0.000 0.967 222 R CB 0.232 29.890 30.300 -1.070 0.000 0.862 222 R HN 0.141 nan 8.270 nan 0.000 0.436 223 F N 0.791 120.714 119.950 -0.045 0.000 2.664 223 F HA 0.344 4.875 4.527 0.007 0.000 0.322 223 F C -1.522 174.280 175.800 0.003 0.000 1.324 223 F CA -1.992 55.999 58.000 -0.014 0.000 1.154 223 F CB 1.551 40.557 39.000 0.009 0.000 1.236 223 F HN 0.019 nan 8.300 nan 0.000 0.532 224 P HA -0.145 nan 4.420 nan 0.000 0.226 224 P C 0.899 178.223 177.300 0.040 0.000 1.153 224 P CA 1.206 64.305 63.100 -0.001 0.000 0.777 224 P CB 0.229 31.876 31.700 -0.089 0.000 0.794 225 K N -0.280 120.168 120.400 0.079 0.000 2.366 225 K HA 0.160 4.484 4.320 0.006 0.000 0.198 225 K C 1.227 177.896 176.600 0.115 0.000 1.044 225 K CA 0.023 56.354 56.287 0.074 0.000 0.973 225 K CB -0.102 32.425 32.500 0.046 0.000 0.767 225 K HN 0.082 nan 8.250 nan 0.000 0.475 226 A N 2.296 125.211 122.820 0.159 0.000 2.445 226 A HA 0.020 4.343 4.320 0.006 0.000 0.242 226 A C -0.123 177.590 177.584 0.215 0.000 1.075 226 A CA -0.133 51.989 52.037 0.141 0.000 0.777 226 A CB 0.153 19.228 19.000 0.125 0.000 1.013 226 A HN 0.191 nan 8.150 nan 0.000 0.493 227 E N 0.463 120.738 120.200 0.124 0.000 2.408 227 E HA 0.077 4.431 4.350 0.006 0.000 0.259 227 E C 0.432 176.973 176.600 -0.098 0.000 1.110 227 E CA -0.045 56.417 56.400 0.104 0.000 0.929 227 E CB 0.358 30.092 29.700 0.056 0.000 0.971 227 E HN 0.657 nan 8.360 nan 0.000 0.438 228 F N 2.171 121.789 119.950 -0.553 0.000 2.087 228 F HA -0.338 4.193 4.527 0.006 0.000 0.299 228 F C 2.081 177.676 175.800 -0.342 0.000 1.100 228 F CA 2.139 59.618 58.000 -0.870 0.000 1.226 228 F CB -0.061 38.485 39.000 -0.757 0.000 0.983 228 F HN 0.572 nan 8.300 nan 0.000 0.479 229 A N -0.550 122.114 122.820 -0.261 0.000 1.933 229 A HA -0.227 4.097 4.320 0.006 0.000 0.218 229 A C 1.978 179.417 177.584 -0.241 0.000 1.175 229 A CA 1.832 53.717 52.037 -0.253 0.000 0.628 229 A CB -0.832 18.138 19.000 -0.050 0.000 0.814 229 A HN 0.533 nan 8.150 nan 0.000 0.444 230 E N -0.172 119.934 120.200 -0.156 0.000 2.072 230 E HA -0.085 4.268 4.350 0.006 0.000 0.190 230 E C 1.811 178.340 176.600 -0.117 0.000 0.982 230 E CA 1.319 57.671 56.400 -0.080 0.000 0.803 230 E CB -0.370 29.321 29.700 -0.014 0.000 0.755 230 E HN 0.210 nan 8.360 nan 0.000 0.453 231 V N 0.514 120.321 119.914 -0.178 0.000 2.324 231 V HA -0.284 3.840 4.120 0.006 0.000 0.250 231 V C 2.454 178.410 176.094 -0.230 0.000 1.060 231 V CA 2.082 64.298 62.300 -0.141 0.000 1.042 231 V CB -0.836 30.922 31.823 -0.108 0.000 0.650 231 V HN 0.406 nan 8.190 nan 0.000 0.450 232 S N -0.829 114.587 115.700 -0.473 0.000 2.428 232 S HA -0.193 4.281 4.470 0.006 0.000 0.230 232 S C 2.122 176.598 174.600 -0.207 0.000 1.014 232 S CA 1.464 59.415 58.200 -0.414 0.000 0.957 232 S CB -0.234 62.543 63.200 -0.704 0.000 0.784 232 S HN 0.509 nan 8.310 nan 0.000 0.499 233 K N 1.229 121.515 120.400 -0.189 0.000 2.062 233 K HA 0.088 4.412 4.320 0.006 0.000 0.205 233 K C 2.088 178.607 176.600 -0.136 0.000 1.051 233 K CA 1.049 57.243 56.287 -0.154 0.000 0.941 233 K CB -0.672 31.735 32.500 -0.156 0.000 0.719 233 K HN 0.481 nan 8.250 nan 0.000 0.440 234 L N 1.216 122.388 121.223 -0.085 0.000 2.017 234 L HA -0.161 4.183 4.340 0.006 0.000 0.208 234 L C 2.599 179.482 176.870 0.022 0.000 1.073 234 L CA 1.409 56.241 54.840 -0.015 0.000 0.745 234 L CB -0.701 41.403 42.059 0.075 0.000 0.894 234 L HN 0.063 nan 8.230 nan 0.000 0.432 235 V N -2.549 117.374 119.914 0.015 0.000 2.515 235 V HA -0.204 3.920 4.120 0.006 0.000 0.250 235 V C 2.264 178.411 176.094 0.088 0.000 1.058 235 V CA 2.268 64.613 62.300 0.075 0.000 1.064 235 V CB -0.511 31.355 31.823 0.072 0.000 0.675 235 V HN 0.405 nan 8.190 nan 0.000 0.461 236 T N 0.805 115.373 114.554 0.024 0.000 2.746 236 T HA -0.151 4.203 4.350 0.006 0.000 0.267 236 T C 1.571 176.279 174.700 0.013 0.000 1.039 236 T CA 2.106 64.218 62.100 0.020 0.000 1.142 236 T CB -0.474 68.380 68.868 -0.024 0.000 0.866 236 T HN 0.626 nan 8.240 nan 0.000 0.444 237 D N 0.874 121.263 120.400 -0.019 0.000 2.144 237 D HA 0.013 4.657 4.640 0.006 0.000 0.200 237 D C 2.014 178.338 176.300 0.039 0.000 0.978 237 D CA 0.368 54.355 54.000 -0.023 0.000 0.833 237 D CB -0.492 40.258 40.800 -0.084 0.000 0.961 237 D HN 0.268 nan 8.370 nan 0.000 0.470 238 L N 0.650 121.926 121.223 0.089 0.000 2.083 238 L HA -0.188 4.156 4.340 0.006 0.000 0.209 238 L C 2.343 179.338 176.870 0.208 0.000 1.083 238 L CA 1.860 56.799 54.840 0.164 0.000 0.752 238 L CB -0.399 41.789 42.059 0.215 0.000 0.899 238 L HN 0.123 nan 8.230 nan 0.000 0.433 239 T N -1.802 112.874 114.554 0.203 0.000 2.857 239 T HA -0.203 4.151 4.350 0.006 0.000 0.266 239 T C 2.058 176.741 174.700 -0.029 0.000 1.048 239 T CA 1.205 63.360 62.100 0.092 0.000 1.139 239 T CB -0.273 68.691 68.868 0.159 0.000 0.874 239 T HN 0.283 nan 8.240 nan 0.000 0.455 240 K N 1.327 121.727 120.400 -0.000 0.000 2.057 240 K HA -0.066 4.257 4.320 0.006 0.000 0.207 240 K C 2.411 178.994 176.600 -0.028 0.000 1.049 240 K CA 1.793 58.061 56.287 -0.032 0.000 0.931 240 K CB -0.943 31.542 32.500 -0.026 0.000 0.714 240 K HN 0.469 nan 8.250 nan 0.000 0.440 241 V N 0.421 120.341 119.914 0.010 0.000 2.407 241 V HA -0.220 3.903 4.120 0.006 0.000 0.248 241 V C 2.494 178.596 176.094 0.013 0.000 1.055 241 V CA 2.246 64.555 62.300 0.015 0.000 1.049 241 V CB -0.844 31.001 31.823 0.037 0.000 0.662 241 V HN 0.494 nan 8.190 nan 0.000 0.455 242 H N 0.041 119.042 119.070 -0.115 0.000 2.428 242 H HA -0.103 4.457 4.556 0.006 0.000 0.296 242 H C 2.252 177.445 175.328 -0.226 0.000 1.062 242 H CA 1.678 57.614 56.048 -0.186 0.000 1.350 242 H CB 0.093 29.680 29.762 -0.292 0.000 1.403 242 H HN 0.537 nan 8.280 nan 0.000 0.533 243 T N 0.963 115.353 114.554 -0.272 0.000 2.746 243 T HA -0.115 4.239 4.350 0.006 0.000 0.267 243 T C 1.745 176.339 174.700 -0.176 0.000 1.039 243 T CA 1.269 63.204 62.100 -0.275 0.000 1.142 243 T CB -0.009 68.745 68.868 -0.190 0.000 0.866 243 T HN 0.444 nan 8.240 nan 0.000 0.444 244 E N 0.603 120.735 120.200 -0.112 0.000 2.046 244 E HA -0.066 4.288 4.350 0.006 0.000 0.190 244 E C 2.640 179.231 176.600 -0.015 0.000 0.982 244 E CA 0.838 57.203 56.400 -0.058 0.000 0.800 244 E CB -0.554 29.124 29.700 -0.038 0.000 0.756 244 E HN 0.492 nan 8.360 nan 0.000 0.449 245 c N 0.800 119.365 118.600 -0.059 0.000 2.413 245 c HA -0.145 4.429 4.570 0.006 0.000 0.277 245 c C 3.014 177.058 174.090 -0.077 0.000 1.265 245 c CA 0.308 56.601 56.329 -0.061 0.000 1.752 245 c CB -1.116 41.325 42.510 -0.114 0.000 1.998 245 c HN 0.508 nan 8.230 nan 0.000 0.489 246 c N -0.643 117.846 118.600 -0.186 0.000 2.422 246 c HA -0.133 4.440 4.570 0.006 0.000 0.279 246 c C 2.696 176.718 174.090 -0.114 0.000 1.305 246 c CA 0.989 57.188 56.329 -0.216 0.000 1.757 246 c CB -1.836 40.448 42.510 -0.377 0.000 1.962 246 c HN 0.705 nan 8.230 nan 0.000 0.499 247 H N 0.444 119.434 119.070 -0.134 0.000 2.489 247 H HA -0.031 4.529 4.556 0.006 0.000 0.293 247 H C 1.955 177.286 175.328 0.005 0.000 1.066 247 H CA 1.664 57.669 56.048 -0.071 0.000 1.305 247 H CB -0.163 29.563 29.762 -0.059 0.000 1.386 247 H HN 0.546 nan 8.280 nan 0.000 0.551 248 G N 0.742 109.577 108.800 0.058 0.000 2.213 248 G HA2 -0.250 3.714 3.960 0.006 0.000 0.236 248 G HA3 -0.250 3.714 3.960 0.006 0.000 0.236 248 G C 0.151 175.149 174.900 0.162 0.000 0.991 248 G CA 0.273 45.442 45.100 0.116 0.000 0.629 248 G HN 0.577 nan 8.290 nan 0.000 0.517 249 D N 1.324 121.853 120.400 0.215 0.000 2.363 249 D HA 0.207 4.851 4.640 0.006 0.000 0.263 249 D C 1.770 178.191 176.300 0.203 0.000 1.258 249 D CA -0.016 54.124 54.000 0.235 0.000 0.907 249 D CB 0.839 41.806 40.800 0.278 0.000 1.107 249 D HN 0.166 nan 8.370 nan 0.000 0.495 250 L N 5.838 127.156 121.223 0.158 0.000 1.970 250 L HA -0.218 4.125 4.340 0.006 0.000 0.212 250 L C 2.022 178.981 176.870 0.148 0.000 1.071 250 L CA 1.757 56.686 54.840 0.148 0.000 0.751 250 L CB -0.764 41.304 42.059 0.015 0.000 0.889 250 L HN 0.594 nan 8.230 nan 0.000 0.432 251 L N -0.776 120.485 121.223 0.063 0.000 2.046 251 L HA -0.192 4.152 4.340 0.006 0.000 0.208 251 L C 2.597 179.560 176.870 0.156 0.000 1.077 251 L CA 1.268 56.143 54.840 0.058 0.000 0.747 251 L CB -0.640 41.332 42.059 -0.146 0.000 0.896 251 L HN 0.276 nan 8.230 nan 0.000 0.432 252 E N -0.562 119.764 120.200 0.210 0.000 2.051 252 E HA -0.234 4.120 4.350 0.006 0.000 0.192 252 E C 2.267 178.939 176.600 0.121 0.000 0.991 252 E CA 1.319 57.814 56.400 0.159 0.000 0.799 252 E CB -0.630 29.147 29.700 0.129 0.000 0.748 252 E HN 0.467 nan 8.360 nan 0.000 0.449 253 c N 0.078 118.756 118.600 0.131 0.000 2.413 253 c HA -0.070 4.504 4.570 0.006 0.000 0.276 253 c C 2.696 176.861 174.090 0.124 0.000 1.248 253 c CA 1.387 57.767 56.329 0.086 0.000 1.742 253 c CB -1.141 41.408 42.510 0.065 0.000 2.017 253 c HN 0.477 nan 8.230 nan 0.000 0.481 254 A N 0.460 123.415 122.820 0.224 0.000 1.873 254 A HA -0.130 4.194 4.320 0.006 0.000 0.215 254 A C 1.881 179.573 177.584 0.179 0.000 1.186 254 A CA 2.142 54.339 52.037 0.267 0.000 0.616 254 A CB -0.755 18.385 19.000 0.233 0.000 0.823 254 A HN 0.636 nan 8.150 nan 0.000 0.442 255 D N 0.436 120.924 120.400 0.146 0.000 2.117 255 D HA -0.131 4.513 4.640 0.006 0.000 0.197 255 D C 1.335 177.696 176.300 0.101 0.000 0.987 255 D CA 1.502 55.575 54.000 0.122 0.000 0.829 255 D CB -0.482 40.385 40.800 0.111 0.000 0.961 255 D HN 0.385 nan 8.370 nan 0.000 0.460 256 D N 0.422 120.871 120.400 0.083 0.000 2.097 256 D HA -0.082 4.561 4.640 0.006 0.000 0.195 256 D C 2.188 178.529 176.300 0.069 0.000 0.989 256 D CA 0.650 54.686 54.000 0.060 0.000 0.827 256 D CB -0.176 40.645 40.800 0.036 0.000 0.966 256 D HN 0.153 nan 8.370 nan 0.000 0.456 257 R N 0.526 121.071 120.500 0.076 0.000 2.080 257 R HA -0.098 4.246 4.340 0.006 0.000 0.236 257 R C 2.293 178.664 176.300 0.118 0.000 1.137 257 R CA 1.479 57.632 56.100 0.088 0.000 0.943 257 R CB -0.362 29.993 30.300 0.091 0.000 0.846 257 R HN 0.126 nan 8.270 nan 0.000 0.431 258 A N 1.314 124.215 122.820 0.135 0.000 1.933 258 A HA -0.192 4.131 4.320 0.006 0.000 0.218 258 A C 1.561 179.219 177.584 0.123 0.000 1.175 258 A CA 1.823 53.943 52.037 0.137 0.000 0.628 258 A CB -0.396 18.692 19.000 0.148 0.000 0.814 258 A HN 0.214 nan 8.150 nan 0.000 0.444 259 D N -0.517 119.949 120.400 0.110 0.000 2.144 259 D HA -0.124 4.520 4.640 0.006 0.000 0.199 259 D C 1.797 178.171 176.300 0.122 0.000 0.984 259 D CA 1.204 55.266 54.000 0.104 0.000 0.834 259 D CB -0.314 40.533 40.800 0.077 0.000 0.955 259 D HN 0.374 nan 8.370 nan 0.000 0.465 260 L N 0.855 122.145 121.223 0.111 0.000 2.044 260 L HA 0.058 4.402 4.340 0.006 0.000 0.205 260 L C 2.125 179.091 176.870 0.160 0.000 1.075 260 L CA 1.568 56.482 54.840 0.124 0.000 0.747 260 L CB -0.926 41.189 42.059 0.094 0.000 0.903 260 L HN -0.039 nan 8.230 nan 0.000 0.435 261 A N 0.468 123.369 122.820 0.134 0.000 1.908 261 A HA -0.272 4.051 4.320 0.006 0.000 0.218 261 A C 2.314 179.963 177.584 0.107 0.000 1.181 261 A CA 2.300 54.409 52.037 0.121 0.000 0.627 261 A CB -0.722 18.351 19.000 0.121 0.000 0.818 261 A HN 0.654 nan 8.150 nan 0.000 0.445 262 K N -1.985 118.483 120.400 0.114 0.000 2.228 262 K HA -0.126 4.197 4.320 0.006 0.000 0.202 262 K C 1.957 178.603 176.600 0.076 0.000 1.051 262 K CA 1.328 57.666 56.287 0.085 0.000 0.960 262 K CB -0.490 32.062 32.500 0.087 0.000 0.743 262 K HN 0.469 nan 8.250 nan 0.000 0.458 263 Y N 2.161 122.471 120.300 0.017 0.000 2.181 263 Y HA -0.130 4.424 4.550 0.006 0.000 0.288 263 Y C 1.930 177.817 175.900 -0.022 0.000 1.146 263 Y CA 1.471 59.571 58.100 -0.000 0.000 1.164 263 Y CB -0.092 38.367 38.460 -0.001 0.000 0.982 263 Y HN -0.065 nan 8.280 nan 0.000 0.515 264 I N -0.979 119.647 120.570 0.093 0.000 2.226 264 I HA -0.352 3.822 4.170 0.006 0.000 0.245 264 I C 2.286 178.310 176.117 -0.154 0.000 1.100 264 I CA 1.194 62.467 61.300 -0.044 0.000 1.374 264 I CB -0.491 37.526 38.000 0.029 0.000 1.057 264 I HN 0.319 nan 8.210 nan 0.000 0.413 265 c N 0.307 118.858 118.600 -0.081 0.000 2.437 265 c HA -0.090 4.484 4.570 0.006 0.000 0.283 265 c C 2.411 176.428 174.090 -0.122 0.000 1.424 265 c CA 0.598 56.881 56.329 -0.076 0.000 1.782 265 c CB -1.220 41.281 42.510 -0.016 0.000 1.833 265 c HN 0.467 nan 8.230 nan 0.000 0.532 266 E N 0.311 120.395 120.200 -0.194 0.000 2.442 266 E HA 0.026 4.379 4.350 0.006 0.000 0.195 266 E C 0.919 177.355 176.600 -0.272 0.000 1.030 266 E CA 0.347 56.627 56.400 -0.201 0.000 0.869 266 E CB 0.092 29.678 29.700 -0.190 0.000 0.857 266 E HN 0.611 nan 8.360 nan 0.000 0.505 267 N N 0.413 118.893 118.700 -0.368 0.000 2.351 267 N HA 0.066 4.810 4.740 0.006 0.000 0.254 267 N C 0.533 175.901 175.510 -0.238 0.000 1.241 267 N CA -0.000 52.840 53.050 -0.349 0.000 0.883 267 N CB 0.726 38.871 38.487 -0.571 0.000 1.202 267 N HN 0.156 nan 8.380 nan 0.000 0.512 268 Q N 0.847 120.534 119.800 -0.188 0.000 2.096 268 Q HA -0.185 4.159 4.340 0.006 0.000 0.208 268 Q C 0.795 176.717 176.000 -0.129 0.000 0.993 268 Q CA 1.540 57.252 55.803 -0.152 0.000 0.862 268 Q CB 0.075 28.752 28.738 -0.101 0.000 0.915 268 Q HN 0.351 nan 8.270 nan 0.000 0.416 269 D N -0.418 119.921 120.400 -0.101 0.000 2.263 269 D HA -0.099 4.545 4.640 0.006 0.000 0.208 269 D C 1.584 177.843 176.300 -0.069 0.000 0.971 269 D CA 1.382 55.339 54.000 -0.071 0.000 0.867 269 D CB 0.021 40.786 40.800 -0.057 0.000 0.929 269 D HN 0.260 nan 8.370 nan 0.000 0.492 270 S N -1.018 114.627 115.700 -0.092 0.000 2.557 270 S HA 0.201 4.675 4.470 0.006 0.000 0.223 270 S C 1.475 176.024 174.600 -0.085 0.000 0.969 270 S CA -0.310 57.848 58.200 -0.069 0.000 0.927 270 S CB 0.309 63.472 63.200 -0.062 0.000 0.806 270 S HN 0.183 nan 8.310 nan 0.000 0.489 271 I N -0.650 119.832 120.570 -0.146 0.000 3.814 271 I HA 0.329 4.502 4.170 0.006 0.000 0.264 271 I C 0.359 176.337 176.117 -0.232 0.000 1.145 271 I CA -0.008 61.135 61.300 -0.261 0.000 1.375 271 I CB 0.942 38.653 38.000 -0.481 0.000 1.638 271 I HN 0.266 nan 8.210 nan 0.000 0.432 272 S N -0.392 115.198 115.700 -0.184 0.000 2.542 272 S HA 0.209 4.683 4.470 0.006 0.000 0.276 272 S C 0.298 174.886 174.600 -0.021 0.000 1.148 272 S CA -0.109 58.069 58.200 -0.036 0.000 0.886 272 S CB 1.485 64.725 63.200 0.067 0.000 1.109 272 S HN 0.253 nan 8.310 nan 0.000 0.458 273 S N 2.779 118.487 115.700 0.013 0.000 2.603 273 S HA 0.178 4.652 4.470 0.006 0.000 0.220 273 S C 0.780 175.390 174.600 0.016 0.000 0.967 273 S CA 0.041 58.244 58.200 0.005 0.000 0.920 273 S CB -0.119 63.084 63.200 0.004 0.000 0.773 273 S HN 0.571 nan 8.310 nan 0.000 0.529 274 K N 0.824 121.248 120.400 0.041 0.000 2.374 274 K HA 0.355 4.678 4.320 0.006 0.000 0.196 274 K C 0.754 177.383 176.600 0.047 0.000 1.023 274 K CA 0.067 56.382 56.287 0.046 0.000 1.103 274 K CB 0.041 32.580 32.500 0.064 0.000 0.848 274 K HN 0.435 nan 8.250 nan 0.000 0.528 275 L N 1.160 122.404 121.223 0.035 0.000 2.628 275 L HA 0.075 4.419 4.340 0.006 0.000 0.229 275 L C 2.070 178.952 176.870 0.020 0.000 1.137 275 L CA 0.151 55.011 54.840 0.034 0.000 0.909 275 L CB -0.015 42.047 42.059 0.005 0.000 1.137 275 L HN 0.095 nan 8.230 nan 0.000 0.470 276 K N -0.101 120.308 120.400 0.015 0.000 2.103 276 K HA -0.106 4.218 4.320 0.006 0.000 0.204 276 K C 1.535 178.147 176.600 0.020 0.000 1.052 276 K CA 1.020 57.313 56.287 0.010 0.000 0.945 276 K CB 0.012 32.514 32.500 0.004 0.000 0.722 276 K HN 0.223 nan 8.250 nan 0.000 0.443 277 E N 0.871 121.088 120.200 0.027 0.000 2.028 277 E HA -0.142 4.212 4.350 0.006 0.000 0.191 277 E C 2.255 178.883 176.600 0.048 0.000 0.988 277 E CA 1.505 57.926 56.400 0.035 0.000 0.799 277 E CB -0.363 29.359 29.700 0.037 0.000 0.755 277 E HN 0.386 nan 8.360 nan 0.000 0.447 278 c N 0.618 119.251 118.600 0.055 0.000 2.391 278 c HA -0.213 4.361 4.570 0.006 0.000 0.276 278 c C 2.870 176.999 174.090 0.066 0.000 1.217 278 c CA 0.592 56.964 56.329 0.071 0.000 1.766 278 c CB -1.011 41.541 42.510 0.070 0.000 2.046 278 c HN 0.553 nan 8.230 nan 0.000 0.475 279 c N -0.112 118.515 118.600 0.046 0.000 2.522 279 c HA -0.007 4.567 4.570 0.006 0.000 0.271 279 c C 2.339 176.451 174.090 0.035 0.000 1.425 279 c CA 0.585 56.936 56.329 0.037 0.000 1.751 279 c CB -1.600 40.918 42.510 0.014 0.000 1.775 279 c HN 0.638 nan 8.230 nan 0.000 0.557 280 E N 0.843 121.066 120.200 0.037 0.000 2.170 280 E HA -0.005 4.349 4.350 0.006 0.000 0.191 280 E C 0.798 177.423 176.600 0.041 0.000 0.981 280 E CA 0.456 56.876 56.400 0.033 0.000 0.830 280 E CB 0.224 29.941 29.700 0.028 0.000 0.775 280 E HN 0.599 nan 8.360 nan 0.000 0.470 281 K N 1.815 122.249 120.400 0.057 0.000 2.397 281 K HA 0.036 4.360 4.320 0.006 0.000 0.265 281 K C -2.330 174.308 176.600 0.063 0.000 0.982 281 K CA -1.264 55.062 56.287 0.066 0.000 0.931 281 K CB -0.193 32.367 32.500 0.099 0.000 0.943 281 K HN -0.005 nan 8.250 nan 0.000 0.501 282 P HA -0.072 nan 4.420 nan 0.000 0.270 282 P C 0.726 178.073 177.300 0.078 0.000 1.223 282 P CA -0.045 63.084 63.100 0.048 0.000 0.785 282 P CB 0.516 32.230 31.700 0.024 0.000 0.923 283 L N 1.252 122.521 121.223 0.077 0.000 2.064 283 L HA -0.247 4.097 4.340 0.006 0.000 0.216 283 L C 2.204 179.153 176.870 0.131 0.000 1.077 283 L CA 1.609 56.512 54.840 0.104 0.000 0.766 283 L CB -0.600 41.519 42.059 0.099 0.000 0.890 283 L HN 0.306 nan 8.230 nan 0.000 0.435 284 L N -0.141 121.149 121.223 0.113 0.000 2.081 284 L HA -0.261 4.083 4.340 0.006 0.000 0.212 284 L C 1.983 178.992 176.870 0.232 0.000 1.080 284 L CA 2.009 56.930 54.840 0.135 0.000 0.754 284 L CB -0.415 41.687 42.059 0.071 0.000 0.893 284 L HN 0.303 nan 8.230 nan 0.000 0.433 285 E N -1.776 118.568 120.200 0.240 0.000 2.489 285 E HA -0.044 4.310 4.350 0.006 0.000 0.204 285 E C 1.730 178.534 176.600 0.342 0.000 1.006 285 E CA -0.065 56.579 56.400 0.406 0.000 0.936 285 E CB 0.357 30.250 29.700 0.323 0.000 1.002 285 E HN 0.421 nan 8.360 nan 0.000 0.488 286 K N 1.096 121.633 120.400 0.229 0.000 2.001 286 K HA -0.133 4.191 4.320 0.006 0.000 0.208 286 K C 2.282 178.981 176.600 0.164 0.000 1.048 286 K CA 1.739 58.130 56.287 0.173 0.000 0.932 286 K CB -0.003 32.579 32.500 0.137 0.000 0.715 286 K HN 0.088 nan 8.250 nan 0.000 0.437 287 S N 0.205 116.011 115.700 0.176 0.000 2.402 287 S HA -0.213 4.261 4.470 0.006 0.000 0.229 287 S C 2.145 176.825 174.600 0.133 0.000 1.021 287 S CA 1.094 59.385 58.200 0.151 0.000 0.974 287 S CB -0.632 62.663 63.200 0.159 0.000 0.800 287 S HN 0.491 nan 8.310 nan 0.000 0.484 288 H N 0.329 119.426 119.070 0.045 0.000 2.357 288 H HA -0.071 4.489 4.556 0.007 0.000 0.301 288 H C 2.511 177.798 175.328 -0.068 0.000 1.082 288 H CA 1.663 57.658 56.048 -0.087 0.000 1.342 288 H CB -0.726 28.818 29.762 -0.362 0.000 1.389 288 H HN 0.579 nan 8.280 nan 0.000 0.511 289 c N 0.985 119.608 118.600 0.039 0.000 2.413 289 c HA -0.113 4.461 4.570 0.006 0.000 0.277 289 c C 2.990 177.057 174.090 -0.039 0.000 1.228 289 c CA 0.930 57.258 56.329 -0.000 0.000 1.731 289 c CB -1.372 41.221 42.510 0.138 0.000 2.042 289 c HN 0.608 nan 8.230 nan 0.000 0.468 290 I N 1.553 122.141 120.570 0.030 0.000 2.185 290 I HA -0.252 3.922 4.170 0.006 0.000 0.246 290 I C 2.800 178.937 176.117 0.033 0.000 1.088 290 I CA 1.929 63.269 61.300 0.065 0.000 1.347 290 I CB -0.678 37.388 38.000 0.109 0.000 1.041 290 I HN 0.470 nan 8.210 nan 0.000 0.415 291 A N -0.375 122.423 122.820 -0.036 0.000 2.067 291 A HA -0.148 4.176 4.320 0.006 0.000 0.219 291 A C 2.133 179.644 177.584 -0.123 0.000 1.158 291 A CA 1.247 53.248 52.037 -0.060 0.000 0.661 291 A CB -0.350 18.606 19.000 -0.074 0.000 0.801 291 A HN 0.430 nan 8.150 nan 0.000 0.452 292 E N -0.598 119.490 120.200 -0.188 0.000 2.474 292 E HA 0.137 4.490 4.350 0.006 0.000 0.195 292 E C -0.100 176.439 176.600 -0.101 0.000 1.039 292 E CA -0.284 56.005 56.400 -0.185 0.000 0.881 292 E CB 0.379 29.899 29.700 -0.300 0.000 0.970 292 E HN 0.312 nan 8.360 nan 0.000 0.486 293 V N 2.771 122.649 119.914 -0.061 0.000 2.843 293 V HA -0.053 4.070 4.120 0.006 0.000 0.305 293 V C 0.316 176.379 176.094 -0.052 0.000 1.065 293 V CA -0.013 62.276 62.300 -0.020 0.000 1.116 293 V CB 0.861 32.717 31.823 0.055 0.000 0.968 293 V HN 0.248 nan 8.190 nan 0.000 0.487 294 E N 4.889 125.067 120.200 -0.036 0.000 2.409 294 E HA 0.102 4.456 4.350 0.006 0.000 0.257 294 E C 0.027 176.581 176.600 -0.076 0.000 1.150 294 E CA -0.307 56.058 56.400 -0.059 0.000 0.942 294 E CB 0.239 29.916 29.700 -0.039 0.000 0.979 294 E HN 0.760 nan 8.360 nan 0.000 0.447 295 N N 1.323 119.959 118.700 -0.108 0.000 2.407 295 N HA -0.067 4.677 4.740 0.006 0.000 0.250 295 N C -0.571 174.905 175.510 -0.057 0.000 1.236 295 N CA -0.032 52.946 53.050 -0.121 0.000 0.879 295 N CB 0.352 38.759 38.487 -0.134 0.000 1.088 295 N HN 0.493 nan 8.380 nan 0.000 0.450 296 D N 1.256 121.646 120.400 -0.017 0.000 2.362 296 D HA -0.028 4.616 4.640 0.006 0.000 0.242 296 D C -0.150 176.134 176.300 -0.026 0.000 1.132 296 D CA -0.296 53.714 54.000 0.015 0.000 0.907 296 D CB 0.623 41.471 40.800 0.081 0.000 1.195 296 D HN 0.490 nan 8.370 nan 0.000 0.429 297 E N 2.017 122.202 120.200 -0.024 0.000 2.390 297 E HA 0.085 4.439 4.350 0.006 0.000 0.261 297 E C -0.102 176.467 176.600 -0.052 0.000 1.076 297 E CA -0.437 55.936 56.400 -0.046 0.000 0.905 297 E CB 0.781 30.458 29.700 -0.038 0.000 0.984 297 E HN 0.424 nan 8.360 nan 0.000 0.427 298 M N 2.393 121.945 119.600 -0.080 0.000 2.242 298 M HA 0.210 4.694 4.480 0.006 0.000 0.344 298 M C -2.100 174.154 176.300 -0.076 0.000 1.140 298 M CA -1.792 53.450 55.300 -0.097 0.000 1.160 298 M CB 0.785 33.301 32.600 -0.141 0.000 1.491 298 M HN 0.484 nan 8.290 nan 0.000 0.459 299 P HA 0.170 nan 4.420 nan 0.000 0.271 299 P C -1.428 175.831 177.300 -0.068 0.000 1.218 299 P CA -0.294 62.773 63.100 -0.054 0.000 0.780 299 P CB 0.511 32.186 31.700 -0.042 0.000 0.901 300 A N 1.865 124.653 122.820 -0.053 0.000 2.322 300 A HA 0.394 4.717 4.320 0.006 0.000 0.269 300 A C 0.321 177.873 177.584 -0.054 0.000 1.094 300 A CA -0.117 51.886 52.037 -0.057 0.000 0.807 300 A CB -0.443 18.530 19.000 -0.043 0.000 1.047 300 A HN 0.624 nan 8.150 nan 0.000 0.487 301 D N -1.042 119.323 120.400 -0.059 0.000 2.835 301 D HA -0.124 4.520 4.640 0.006 0.000 0.230 301 D C -0.448 175.821 176.300 -0.052 0.000 1.130 301 D CA 0.939 54.909 54.000 -0.050 0.000 0.738 301 D CB -1.627 39.153 40.800 -0.034 0.000 1.090 301 D HN 0.516 nan 8.370 nan 0.000 0.433 302 L N 0.827 122.006 121.223 -0.075 0.000 2.416 302 L HA 0.285 4.629 4.340 0.006 0.000 0.272 302 L C -0.965 175.863 176.870 -0.069 0.000 1.161 302 L CA -1.209 53.584 54.840 -0.079 0.000 0.845 302 L CB 0.101 42.086 42.059 -0.123 0.000 1.119 302 L HN -0.015 nan 8.230 nan 0.000 0.464 303 P HA 0.051 nan 4.420 nan 0.000 0.274 303 P C -0.309 176.976 177.300 -0.025 0.000 1.237 303 P CA -0.483 62.604 63.100 -0.023 0.000 0.793 303 P CB 0.954 32.652 31.700 -0.002 0.000 0.977 304 S N 0.235 115.936 115.700 0.002 0.000 2.559 304 S HA -0.043 4.431 4.470 0.006 0.000 0.282 304 S C 1.242 175.895 174.600 0.089 0.000 1.336 304 S CA -0.351 57.872 58.200 0.038 0.000 1.037 304 S CB -0.243 62.998 63.200 0.068 0.000 0.853 304 S HN 0.307 nan 8.310 nan 0.000 0.523 305 L N 4.267 125.587 121.223 0.162 0.000 2.610 305 L HA 0.185 4.529 4.340 0.006 0.000 0.232 305 L C 2.394 179.486 176.870 0.370 0.000 1.149 305 L CA 1.343 56.380 54.840 0.329 0.000 0.872 305 L CB -1.277 40.969 42.059 0.312 0.000 0.992 305 L HN 0.867 nan 8.230 nan 0.000 0.447 306 A N -0.208 122.730 122.820 0.197 0.000 1.902 306 A HA -0.169 4.155 4.320 0.006 0.000 0.217 306 A C 2.555 180.163 177.584 0.039 0.000 1.181 306 A CA 1.697 53.737 52.037 0.004 0.000 0.623 306 A CB -0.726 18.265 19.000 -0.015 0.000 0.818 306 A HN 0.377 nan 8.150 nan 0.000 0.443 307 A N 0.049 122.903 122.820 0.056 0.000 1.865 307 A HA -0.206 4.118 4.320 0.006 0.000 0.217 307 A C 1.777 179.361 177.584 -0.000 0.000 1.191 307 A CA 1.984 54.041 52.037 0.032 0.000 0.623 307 A CB -0.616 18.398 19.000 0.023 0.000 0.826 307 A HN 0.457 nan 8.150 nan 0.000 0.444 308 D N -1.760 118.596 120.400 -0.073 0.000 2.234 308 D HA 0.036 4.680 4.640 0.006 0.000 0.205 308 D C 1.073 177.117 176.300 -0.426 0.000 0.962 308 D CA 0.935 54.736 54.000 -0.332 0.000 0.855 308 D CB -0.126 40.288 40.800 -0.643 0.000 0.951 308 D HN 0.548 nan 8.370 nan 0.000 0.500 309 F N -0.859 119.187 119.950 0.160 0.000 2.746 309 F HA 0.130 4.661 4.527 0.008 0.000 0.313 309 F C 1.754 177.634 175.800 0.134 0.000 1.095 309 F CA -0.114 58.035 58.000 0.248 0.000 1.224 309 F CB 0.857 39.990 39.000 0.222 0.000 1.060 309 F HN -0.219 nan 8.300 nan 0.000 0.584 310 V N -1.168 118.820 119.914 0.124 0.000 3.161 310 V HA 0.025 4.149 4.120 0.006 0.000 0.221 310 V C 1.592 177.762 176.094 0.127 0.000 1.296 310 V CA 0.457 62.772 62.300 0.026 0.000 1.306 310 V CB -0.014 31.678 31.823 -0.219 0.000 1.171 310 V HN 0.014 nan 8.190 nan 0.000 0.513 311 E N 0.728 120.988 120.200 0.100 0.000 2.158 311 E HA 0.011 4.365 4.350 0.006 0.000 0.191 311 E C 1.140 177.891 176.600 0.252 0.000 0.982 311 E CA 0.636 57.149 56.400 0.188 0.000 0.823 311 E CB 0.068 29.834 29.700 0.109 0.000 0.766 311 E HN 0.369 nan 8.360 nan 0.000 0.468 312 S N 1.353 117.149 115.700 0.160 0.000 2.546 312 S HA -0.058 4.415 4.470 0.006 0.000 0.290 312 S C 1.190 175.903 174.600 0.188 0.000 1.290 312 S CA -0.167 58.111 58.200 0.129 0.000 1.069 312 S CB 0.606 63.847 63.200 0.070 0.000 0.846 312 S HN 0.299 nan 8.310 nan 0.000 0.495 313 K N 3.149 123.619 120.400 0.117 0.000 2.211 313 K HA -0.109 4.215 4.320 0.006 0.000 0.204 313 K C 0.091 176.749 176.600 0.096 0.000 1.047 313 K CA 1.568 57.909 56.287 0.090 0.000 0.935 313 K CB -0.159 32.340 32.500 -0.001 0.000 0.728 313 K HN 0.477 nan 8.250 nan 0.000 0.452 314 D N 1.412 121.852 120.400 0.066 0.000 2.352 314 D HA 0.018 4.662 4.640 0.006 0.000 0.236 314 D C 1.448 177.744 176.300 -0.006 0.000 1.148 314 D CA 0.044 54.062 54.000 0.030 0.000 0.844 314 D CB 0.506 41.313 40.800 0.013 0.000 0.933 314 D HN 0.024 nan 8.370 nan 0.000 0.507 315 V N 0.069 120.007 119.914 0.040 0.000 2.255 315 V HA -0.304 3.820 4.120 0.006 0.000 0.247 315 V C 2.512 178.474 176.094 -0.220 0.000 1.051 315 V CA 1.485 63.743 62.300 -0.071 0.000 1.018 315 V CB -0.337 31.431 31.823 -0.093 0.000 0.641 315 V HN 0.383 nan 8.190 nan 0.000 0.445 316 c N -0.562 118.011 118.600 -0.046 0.000 2.466 316 c HA -0.106 4.467 4.570 0.006 0.000 0.278 316 c C 2.754 176.812 174.090 -0.053 0.000 1.288 316 c CA 1.137 57.461 56.329 -0.010 0.000 1.722 316 c CB -0.857 41.707 42.510 0.091 0.000 2.017 316 c HN 0.639 nan 8.230 nan 0.000 0.488 317 K N 1.410 121.776 120.400 -0.057 0.000 2.001 317 K HA -0.210 4.114 4.320 0.006 0.000 0.214 317 K C 1.752 178.277 176.600 -0.125 0.000 1.050 317 K CA 2.252 58.500 56.287 -0.065 0.000 0.934 317 K CB -0.262 32.218 32.500 -0.034 0.000 0.718 317 K HN 0.386 nan 8.250 nan 0.000 0.443 318 N N -0.099 118.485 118.700 -0.194 0.000 2.104 318 N HA -0.209 4.534 4.740 0.006 0.000 0.190 318 N C 1.642 176.888 175.510 -0.440 0.000 1.024 318 N CA 1.527 54.423 53.050 -0.258 0.000 0.853 318 N CB -0.619 37.737 38.487 -0.217 0.000 1.008 318 N HN 0.396 nan 8.380 nan 0.000 0.424 319 Y N 1.219 120.990 120.300 -0.882 0.000 2.114 319 Y HA -0.159 4.397 4.550 0.010 0.000 0.284 319 Y C 2.291 178.054 175.900 -0.229 0.000 1.143 319 Y CA 1.888 59.590 58.100 -0.663 0.000 1.135 319 Y CB -0.234 37.908 38.460 -0.531 0.000 0.980 319 Y HN 0.079 nan 8.280 nan 0.000 0.499 320 A N 0.717 123.379 122.820 -0.263 0.000 2.019 320 A HA -0.215 4.108 4.320 0.006 0.000 0.219 320 A C 2.071 179.528 177.584 -0.212 0.000 1.164 320 A CA 1.656 53.513 52.037 -0.300 0.000 0.644 320 A CB -0.903 18.013 19.000 -0.139 0.000 0.805 320 A HN 0.785 nan 8.150 nan 0.000 0.449 321 E N -0.601 119.515 120.200 -0.140 0.000 2.274 321 E HA 0.218 4.572 4.350 0.006 0.000 0.194 321 E C 0.403 176.967 176.600 -0.059 0.000 0.996 321 E CA 0.853 57.208 56.400 -0.076 0.000 0.840 321 E CB -0.075 29.602 29.700 -0.039 0.000 0.772 321 E HN 0.512 nan 8.360 nan 0.000 0.491 322 A N 0.826 123.604 122.820 -0.070 0.000 2.771 322 A HA 0.257 4.581 4.320 0.006 0.000 0.301 322 A C 0.069 177.655 177.584 0.003 0.000 1.194 322 A CA -0.700 51.329 52.037 -0.012 0.000 0.837 322 A CB 0.836 19.876 19.000 0.065 0.000 1.438 322 A HN 0.043 nan 8.150 nan 0.000 0.436 323 K N 0.323 120.649 120.400 -0.123 0.000 2.026 323 K HA -0.125 4.199 4.320 0.006 0.000 0.208 323 K C 0.702 177.401 176.600 0.165 0.000 1.048 323 K CA 1.865 58.032 56.287 -0.200 0.000 0.929 323 K CB 0.088 32.343 32.500 -0.410 0.000 0.713 323 K HN 0.623 nan 8.250 nan 0.000 0.439 324 D N 0.199 120.684 120.400 0.141 0.000 2.224 324 D HA -0.080 4.564 4.640 0.006 0.000 0.205 324 D C 1.812 178.264 176.300 0.254 0.000 0.965 324 D CA 0.546 54.668 54.000 0.203 0.000 0.852 324 D CB 0.024 40.917 40.800 0.156 0.000 0.947 324 D HN -0.091 nan 8.370 nan 0.000 0.494 325 V N 0.474 120.536 119.914 0.246 0.000 2.358 325 V HA -0.203 3.921 4.120 0.006 0.000 0.246 325 V C 2.040 178.298 176.094 0.274 0.000 1.047 325 V CA 1.111 63.584 62.300 0.288 0.000 1.035 325 V CB -0.423 31.555 31.823 0.258 0.000 0.658 325 V HN 0.110 nan 8.190 nan 0.000 0.452 326 F N 0.206 120.276 119.950 0.200 0.000 2.146 326 F HA -0.126 4.404 4.527 0.004 0.000 0.298 326 F C 2.046 178.066 175.800 0.367 0.000 1.096 326 F CA 1.590 59.764 58.000 0.291 0.000 1.275 326 F CB -0.134 39.091 39.000 0.374 0.000 1.008 326 F HN 0.023 nan 8.300 nan 0.000 0.480 327 L N -0.517 120.983 121.223 0.461 0.000 2.131 327 L HA -0.144 4.200 4.340 0.006 0.000 0.210 327 L C 2.717 179.750 176.870 0.271 0.000 1.092 327 L CA 1.253 56.301 54.840 0.347 0.000 0.759 327 L CB -1.543 40.706 42.059 0.316 0.000 0.903 327 L HN 0.312 nan 8.230 nan 0.000 0.435 328 G N -0.430 108.523 108.800 0.255 0.000 2.394 328 G HA2 -0.210 3.754 3.960 0.006 0.000 0.215 328 G HA3 -0.210 3.754 3.960 0.006 0.000 0.215 328 G C 1.650 176.666 174.900 0.192 0.000 1.165 328 G CA 0.402 45.682 45.100 0.300 0.000 0.784 328 G HN 0.166 nan 8.290 nan 0.000 0.535 329 M N -0.475 118.999 119.600 -0.210 0.000 2.117 329 M HA 0.062 4.546 4.480 0.006 0.000 0.262 329 M C 2.239 178.490 176.300 -0.082 0.000 1.065 329 M CA 1.233 56.248 55.300 -0.475 0.000 1.114 329 M CB -0.322 31.953 32.600 -0.542 0.000 1.361 329 M HN 0.315 nan 8.290 nan 0.000 0.408 330 F N 0.821 120.548 119.950 -0.372 0.000 2.075 330 F HA -0.241 4.288 4.527 0.004 0.000 0.297 330 F C 1.974 177.537 175.800 -0.396 0.000 1.113 330 F CA 1.372 58.862 58.000 -0.850 0.000 1.218 330 F CB -0.356 38.109 39.000 -0.892 0.000 0.984 330 F HN -0.013 nan 8.300 nan 0.000 0.472 331 L N 0.343 121.585 121.223 0.031 0.000 1.990 331 L HA -0.253 4.091 4.340 0.006 0.000 0.213 331 L C 2.329 179.160 176.870 -0.065 0.000 1.072 331 L CA 2.420 57.244 54.840 -0.027 0.000 0.755 331 L CB -1.606 40.520 42.059 0.111 0.000 0.889 331 L HN 0.483 nan 8.230 nan 0.000 0.432 332 Y N 0.295 120.566 120.300 -0.048 0.000 2.069 332 Y HA -0.307 4.247 4.550 0.006 0.000 0.278 332 Y C 2.397 178.238 175.900 -0.098 0.000 1.175 332 Y CA 2.308 60.411 58.100 0.004 0.000 1.134 332 Y CB -0.240 38.363 38.460 0.238 0.000 0.965 332 Y HN 0.313 nan 8.280 nan 0.000 0.498 333 E N -0.559 119.422 120.200 -0.365 0.000 2.077 333 E HA -0.248 4.106 4.350 0.006 0.000 0.193 333 E C 2.065 178.365 176.600 -0.499 0.000 0.989 333 E CA 1.556 57.646 56.400 -0.516 0.000 0.800 333 E CB -0.859 28.682 29.700 -0.265 0.000 0.746 333 E HN 0.640 nan 8.360 nan 0.000 0.452 334 Y N 0.936 120.838 120.300 -0.663 0.000 2.242 334 Y HA -0.109 4.446 4.550 0.008 0.000 0.291 334 Y C 2.302 177.965 175.900 -0.395 0.000 1.137 334 Y CA 1.229 58.975 58.100 -0.590 0.000 1.181 334 Y CB -0.217 37.727 38.460 -0.860 0.000 0.989 334 Y HN 0.022 nan 8.280 nan 0.000 0.527 335 A N 0.591 123.304 122.820 -0.178 0.000 1.970 335 A HA -0.107 4.217 4.320 0.006 0.000 0.216 335 A C 2.278 179.726 177.584 -0.226 0.000 1.170 335 A CA 1.210 53.150 52.037 -0.161 0.000 0.645 335 A CB -0.568 18.339 19.000 -0.156 0.000 0.816 335 A HN 0.554 nan 8.150 nan 0.000 0.447 336 R N -0.395 119.917 120.500 -0.314 0.000 2.120 336 R HA -0.047 4.297 4.340 0.006 0.000 0.234 336 R C 1.705 177.809 176.300 -0.326 0.000 1.123 336 R CA 1.559 57.467 56.100 -0.319 0.000 0.975 336 R CB -0.370 29.668 30.300 -0.436 0.000 0.866 336 R HN 0.362 nan 8.270 nan 0.000 0.446 337 R N -0.180 120.086 120.500 -0.390 0.000 2.299 337 R HA 0.106 4.450 4.340 0.006 0.000 0.197 337 R C 0.067 175.898 176.300 -0.781 0.000 0.971 337 R CA 0.421 56.207 56.100 -0.523 0.000 1.030 337 R CB 0.263 30.221 30.300 -0.569 0.000 0.932 337 R HN 0.355 nan 8.270 nan 0.000 0.477 338 H N -0.151 118.668 119.070 -0.419 0.000 2.439 338 H HA 0.151 4.714 4.556 0.011 0.000 0.228 338 H C -1.994 173.113 175.328 -0.368 0.000 1.423 338 H CA -1.691 54.034 56.048 -0.538 0.000 1.386 338 H CB 1.454 30.610 29.762 -1.008 0.000 1.641 338 H HN 0.035 nan 8.280 nan 0.000 0.508 339 P HA -0.092 nan 4.420 nan 0.000 0.229 339 P C 0.986 178.234 177.300 -0.087 0.000 1.160 339 P CA 0.809 63.818 63.100 -0.152 0.000 0.777 339 P CB 0.381 31.983 31.700 -0.162 0.000 0.814 340 D N -1.776 118.591 120.400 -0.055 0.000 2.349 340 D HA -0.122 4.521 4.640 0.006 0.000 0.224 340 D C 0.427 176.865 176.300 0.230 0.000 1.029 340 D CA -0.003 54.029 54.000 0.052 0.000 0.879 340 D CB -0.741 40.102 40.800 0.072 0.000 0.906 340 D HN 0.262 nan 8.370 nan 0.000 0.528 341 Y N 1.326 121.608 120.300 -0.030 0.000 2.376 341 Y HA 0.212 4.770 4.550 0.013 0.000 0.325 341 Y C 1.413 177.257 175.900 -0.093 0.000 1.199 341 Y CA -1.390 56.668 58.100 -0.069 0.000 1.206 341 Y CB 1.329 39.725 38.460 -0.106 0.000 1.229 341 Y HN -0.118 nan 8.280 nan 0.000 0.480 342 S N 0.108 115.833 115.700 0.041 0.000 2.573 342 S HA 0.013 4.487 4.470 0.006 0.000 0.277 342 S C 0.840 175.412 174.600 -0.048 0.000 1.346 342 S CA -0.832 57.357 58.200 -0.018 0.000 1.034 342 S CB 1.203 64.379 63.200 -0.040 0.000 0.879 342 S HN 0.534 nan 8.310 nan 0.000 0.528 343 V N 1.994 121.851 119.914 -0.095 0.000 2.407 343 V HA -0.172 3.952 4.120 0.006 0.000 0.248 343 V C 2.518 178.549 176.094 -0.106 0.000 1.055 343 V CA 1.859 64.056 62.300 -0.172 0.000 1.049 343 V CB -1.104 30.505 31.823 -0.358 0.000 0.662 343 V HN 0.911 nan 8.190 nan 0.000 0.455 344 V N -1.855 118.032 119.914 -0.045 0.000 2.626 344 V HA -0.179 3.945 4.120 0.006 0.000 0.252 344 V C 2.197 178.233 176.094 -0.097 0.000 1.067 344 V CA 1.640 63.916 62.300 -0.041 0.000 1.081 344 V CB -0.769 31.044 31.823 -0.016 0.000 0.686 344 V HN 0.477 nan 8.190 nan 0.000 0.468 345 L N -0.475 120.672 121.223 -0.127 0.000 2.027 345 L HA -0.083 4.261 4.340 0.006 0.000 0.206 345 L C 2.592 179.322 176.870 -0.235 0.000 1.074 345 L CA 1.940 56.656 54.840 -0.207 0.000 0.745 345 L CB -0.201 41.671 42.059 -0.311 0.000 0.898 345 L HN 0.313 nan 8.230 nan 0.000 0.433 346 L N -0.378 120.738 121.223 -0.178 0.000 2.079 346 L HA -0.295 4.048 4.340 0.006 0.000 0.210 346 L C 2.550 179.291 176.870 -0.215 0.000 1.081 346 L CA 1.265 55.971 54.840 -0.223 0.000 0.752 346 L CB -0.453 41.514 42.059 -0.153 0.000 0.896 346 L HN 0.314 nan 8.230 nan 0.000 0.433 347 L N -0.968 120.170 121.223 -0.142 0.000 2.056 347 L HA -0.192 4.152 4.340 0.006 0.000 0.207 347 L C 2.816 179.624 176.870 -0.105 0.000 1.078 347 L CA 1.159 55.943 54.840 -0.093 0.000 0.749 347 L CB -0.558 41.471 42.059 -0.051 0.000 0.901 347 L HN 0.197 nan 8.230 nan 0.000 0.433 348 R N 0.145 120.567 120.500 -0.130 0.000 2.103 348 R HA -0.185 4.159 4.340 0.006 0.000 0.242 348 R C 2.256 178.453 176.300 -0.172 0.000 1.142 348 R CA 1.384 57.406 56.100 -0.129 0.000 0.960 348 R CB -0.510 29.713 30.300 -0.129 0.000 0.858 348 R HN 0.369 nan 8.270 nan 0.000 0.439 349 L N -0.258 120.780 121.223 -0.309 0.000 2.044 349 L HA -0.085 4.259 4.340 0.006 0.000 0.205 349 L C 2.740 179.439 176.870 -0.286 0.000 1.075 349 L CA 1.161 55.671 54.840 -0.550 0.000 0.747 349 L CB -0.685 40.700 42.059 -1.123 0.000 0.903 349 L HN 0.209 nan 8.230 nan 0.000 0.435 350 A N -0.258 122.494 122.820 -0.113 0.000 1.933 350 A HA -0.199 4.124 4.320 0.006 0.000 0.218 350 A C 2.405 179.987 177.584 -0.004 0.000 1.175 350 A CA 1.510 53.568 52.037 0.034 0.000 0.628 350 A CB -0.362 18.707 19.000 0.114 0.000 0.814 350 A HN 0.216 nan 8.150 nan 0.000 0.444 351 K N -0.793 119.600 120.400 -0.010 0.000 2.097 351 K HA -0.095 4.229 4.320 0.006 0.000 0.205 351 K C 2.111 178.723 176.600 0.020 0.000 1.050 351 K CA 1.719 58.009 56.287 0.005 0.000 0.938 351 K CB -0.455 32.042 32.500 -0.005 0.000 0.718 351 K HN 0.541 nan 8.250 nan 0.000 0.442 352 T N 0.442 115.029 114.554 0.056 0.000 2.708 352 T HA -0.194 4.160 4.350 0.006 0.000 0.266 352 T C 1.660 176.457 174.700 0.162 0.000 1.037 352 T CA 1.369 63.551 62.100 0.138 0.000 1.146 352 T CB -0.526 68.510 68.868 0.280 0.000 0.865 352 T HN 0.316 nan 8.240 nan 0.000 0.435 353 Y N 1.662 121.982 120.300 0.033 0.000 2.128 353 Y HA -0.235 4.316 4.550 0.002 0.000 0.284 353 Y C 2.753 178.524 175.900 -0.214 0.000 1.154 353 Y CA 2.008 60.024 58.100 -0.139 0.000 1.149 353 Y CB -0.068 38.011 38.460 -0.636 0.000 0.976 353 Y HN 0.272 nan 8.280 nan 0.000 0.505 354 E N -0.646 119.418 120.200 -0.226 0.000 2.023 354 E HA -0.245 4.108 4.350 0.006 0.000 0.196 354 E C 1.967 178.454 176.600 -0.189 0.000 1.003 354 E CA 2.259 58.520 56.400 -0.231 0.000 0.809 354 E CB -0.290 29.396 29.700 -0.023 0.000 0.755 354 E HN 0.469 nan 8.360 nan 0.000 0.449 355 T N -0.171 114.331 114.554 -0.086 0.000 2.699 355 T HA -0.224 4.129 4.350 0.006 0.000 0.268 355 T C 1.949 176.599 174.700 -0.083 0.000 1.036 355 T CA 1.943 64.012 62.100 -0.052 0.000 1.147 355 T CB -0.686 68.174 68.868 -0.013 0.000 0.862 355 T HN 0.330 nan 8.240 nan 0.000 0.446 356 T N 1.127 115.610 114.554 -0.118 0.000 2.777 356 T HA -0.046 4.308 4.350 0.006 0.000 0.266 356 T C 1.906 176.511 174.700 -0.158 0.000 1.040 356 T CA 0.605 62.645 62.100 -0.100 0.000 1.141 356 T CB -0.374 68.459 68.868 -0.059 0.000 0.868 356 T HN 0.031 nan 8.240 nan 0.000 0.444 357 L N 1.704 122.693 121.223 -0.390 0.000 1.990 357 L HA -0.037 4.307 4.340 0.006 0.000 0.213 357 L C 2.756 179.507 176.870 -0.199 0.000 1.072 357 L CA 1.816 56.370 54.840 -0.477 0.000 0.755 357 L CB -1.130 40.251 42.059 -1.129 0.000 0.889 357 L HN 0.329 nan 8.230 nan 0.000 0.432 358 E N -0.305 119.821 120.200 -0.124 0.000 2.049 358 E HA -0.289 4.065 4.350 0.006 0.000 0.198 358 E C 2.177 178.791 176.600 0.024 0.000 1.007 358 E CA 1.601 58.024 56.400 0.038 0.000 0.809 358 E CB -0.231 29.500 29.700 0.051 0.000 0.749 358 E HN 0.526 nan 8.360 nan 0.000 0.450 359 K N 0.543 120.940 120.400 -0.004 0.000 2.001 359 K HA -0.097 4.227 4.320 0.006 0.000 0.208 359 K C 2.338 178.946 176.600 0.014 0.000 1.048 359 K CA 1.665 57.955 56.287 0.005 0.000 0.932 359 K CB -0.264 32.234 32.500 -0.003 0.000 0.715 359 K HN 0.086 nan 8.250 nan 0.000 0.437 360 c N 0.776 119.390 118.600 0.023 0.000 2.435 360 c HA -0.048 4.525 4.570 0.006 0.000 0.279 360 c C 2.824 176.958 174.090 0.074 0.000 1.321 360 c CA 0.387 56.747 56.329 0.052 0.000 1.752 360 c CB -0.945 41.654 42.510 0.149 0.000 1.959 360 c HN 0.672 nan 8.230 nan 0.000 0.500 361 c N 0.635 119.291 118.600 0.093 0.000 2.432 361 c HA 0.079 4.653 4.570 0.006 0.000 0.282 361 c C 2.516 176.645 174.090 0.065 0.000 1.388 361 c CA 1.045 57.437 56.329 0.105 0.000 1.777 361 c CB -1.509 41.079 42.510 0.129 0.000 1.882 361 c HN 0.700 nan 8.230 nan 0.000 0.520 362 A N -0.280 122.567 122.820 0.046 0.000 2.460 362 A HA 0.665 4.989 4.320 0.006 0.000 0.258 362 A C 0.849 178.441 177.584 0.014 0.000 1.300 362 A CA 0.514 52.568 52.037 0.028 0.000 0.913 362 A CB -0.250 18.766 19.000 0.027 0.000 1.031 362 A HN 0.463 nan 8.150 nan 0.000 0.512 363 A N -1.375 121.449 122.820 0.007 0.000 2.269 363 A HA 0.717 5.040 4.320 0.006 0.000 0.327 363 A C 1.532 179.108 177.584 -0.014 0.000 1.112 363 A CA 0.113 52.145 52.037 -0.008 0.000 0.865 363 A CB 0.239 19.226 19.000 -0.022 0.000 1.227 363 A HN 1.028 nan 8.150 nan 0.000 0.498 364 A N -0.378 122.431 122.820 -0.018 0.000 1.917 364 A HA -0.042 4.282 4.320 0.006 0.000 0.219 364 A C 0.742 178.311 177.584 -0.026 0.000 1.182 364 A CA 2.443 54.468 52.037 -0.019 0.000 0.633 364 A CB -0.379 18.610 19.000 -0.019 0.000 0.819 364 A HN 0.812 nan 8.150 nan 0.000 0.448 365 D N -2.866 117.508 120.400 -0.043 0.000 2.358 365 D HA 0.432 5.075 4.640 0.006 0.000 0.253 365 D C -2.217 174.012 176.300 -0.118 0.000 1.288 365 D CA -1.947 52.018 54.000 -0.058 0.000 0.950 365 D CB 1.381 42.151 40.800 -0.050 0.000 1.197 365 D HN -0.116 nan 8.370 nan 0.000 0.550 366 P HA -0.175 nan 4.420 nan 0.000 0.216 366 P C 1.003 177.837 177.300 -0.777 0.000 1.153 366 P CA 1.217 64.181 63.100 -0.227 0.000 0.858 366 P CB 0.145 31.848 31.700 0.005 0.000 0.789 367 H N -0.331 118.362 119.070 -0.628 0.000 2.326 367 H HA -0.142 4.419 4.556 0.009 0.000 0.301 367 H C 2.035 177.019 175.328 -0.574 0.000 1.081 367 H CA 2.005 57.626 56.048 -0.712 0.000 1.334 367 H CB -0.256 29.375 29.762 -0.219 0.000 1.385 367 H HN -0.010 nan 8.280 nan 0.000 0.504 368 E N -0.425 119.604 120.200 -0.285 0.000 2.204 368 E HA -0.135 4.218 4.350 0.006 0.000 0.194 368 E C 2.259 178.700 176.600 -0.264 0.000 0.989 368 E CA 1.020 57.291 56.400 -0.215 0.000 0.824 368 E CB -0.743 28.906 29.700 -0.085 0.000 0.756 368 E HN 0.525 nan 8.360 nan 0.000 0.477 369 c N 0.299 118.694 118.600 -0.341 0.000 2.466 369 c HA -0.046 4.527 4.570 0.006 0.000 0.278 369 c C 2.234 176.218 174.090 -0.176 0.000 1.288 369 c CA 0.903 57.099 56.329 -0.223 0.000 1.722 369 c CB -1.166 41.237 42.510 -0.178 0.000 2.017 369 c HN 0.703 nan 8.230 nan 0.000 0.488 370 Y N 0.551 120.789 120.300 -0.104 0.000 2.457 370 Y HA 0.586 5.138 4.550 0.003 0.000 0.263 370 Y C 1.905 177.717 175.900 -0.148 0.000 1.164 370 Y CA 0.013 58.047 58.100 -0.110 0.000 1.274 370 Y CB -1.569 36.833 38.460 -0.097 0.000 1.097 370 Y HN 0.169 nan 8.280 nan 0.000 0.523 371 A N 1.336 124.082 122.820 -0.124 0.000 2.032 371 A HA -0.138 4.186 4.320 0.006 0.000 0.221 371 A C 1.878 179.409 177.584 -0.089 0.000 1.165 371 A CA 1.502 53.449 52.037 -0.150 0.000 0.645 371 A CB -0.313 18.551 19.000 -0.227 0.000 0.807 371 A HN 0.273 nan 8.150 nan 0.000 0.453 372 K N -0.500 119.866 120.400 -0.056 0.000 2.440 372 K HA 0.225 4.548 4.320 0.006 0.000 0.206 372 K C 1.291 177.869 176.600 -0.037 0.000 1.025 372 K CA 0.221 56.483 56.287 -0.042 0.000 1.135 372 K CB 0.037 32.519 32.500 -0.029 0.000 0.856 372 K HN 0.268 nan 8.250 nan 0.000 0.502 373 V N 0.778 120.673 119.914 -0.032 0.000 2.380 373 V HA -0.262 3.862 4.120 0.006 0.000 0.251 373 V C 1.627 177.576 176.094 -0.243 0.000 1.063 373 V CA 1.742 64.004 62.300 -0.064 0.000 1.055 373 V CB -0.479 31.388 31.823 0.073 0.000 0.657 373 V HN 0.141 nan 8.190 nan 0.000 0.455 374 F N 0.907 120.598 119.950 -0.431 0.000 2.202 374 F HA -0.136 4.392 4.527 0.002 0.000 0.301 374 F C 2.225 177.856 175.800 -0.282 0.000 1.082 374 F CA 1.641 59.347 58.000 -0.491 0.000 1.313 374 F CB -1.269 37.690 39.000 -0.069 0.000 1.024 374 F HN 0.331 nan 8.300 nan 0.000 0.495 375 D N 0.024 120.437 120.400 0.022 0.000 2.182 375 D HA -0.163 4.481 4.640 0.006 0.000 0.201 375 D C 2.025 178.331 176.300 0.011 0.000 0.986 375 D CA 1.149 55.169 54.000 0.033 0.000 0.847 375 D CB -0.379 40.435 40.800 0.024 0.000 0.942 375 D HN 0.392 nan 8.370 nan 0.000 0.467 376 E N -0.582 119.581 120.200 -0.063 0.000 2.338 376 E HA -0.067 4.287 4.350 0.006 0.000 0.197 376 E C 1.640 178.334 176.600 0.158 0.000 1.007 376 E CA 0.209 56.616 56.400 0.013 0.000 0.849 376 E CB -0.141 29.558 29.700 -0.001 0.000 0.774 376 E HN 0.435 nan 8.360 nan 0.000 0.506 377 F N 1.193 121.168 119.950 0.041 0.000 2.502 377 F HA -0.059 4.467 4.527 -0.003 0.000 0.298 377 F C 2.087 177.857 175.800 -0.050 0.000 1.111 377 F CA 0.023 58.000 58.000 -0.039 0.000 1.445 377 F CB 0.061 39.014 39.000 -0.078 0.000 1.081 377 F HN -0.060 nan 8.300 nan 0.000 0.558 378 K N 1.143 121.641 120.400 0.164 0.000 1.969 378 K HA -0.191 4.133 4.320 0.006 0.000 0.223 378 K C -0.590 176.031 176.600 0.035 0.000 1.048 378 K CA 1.814 58.151 56.287 0.084 0.000 0.983 378 K CB -1.619 30.921 32.500 0.067 0.000 0.738 378 K HN 0.077 nan 8.250 nan 0.000 0.446 379 P HA -0.139 nan 4.420 nan 0.000 0.221 379 P C 1.103 178.390 177.300 -0.022 0.000 1.145 379 P CA 1.273 64.376 63.100 0.005 0.000 0.795 379 P CB -0.054 31.653 31.700 0.012 0.000 0.775 380 L N -1.292 119.917 121.223 -0.023 0.000 2.027 380 L HA -0.112 4.231 4.340 0.006 0.000 0.206 380 L C 2.505 179.278 176.870 -0.162 0.000 1.074 380 L CA 1.174 55.965 54.840 -0.082 0.000 0.745 380 L CB -1.156 40.853 42.059 -0.083 0.000 0.898 380 L HN -0.157 nan 8.230 nan 0.000 0.433 381 V N 0.359 120.153 119.914 -0.199 0.000 2.295 381 V HA -0.293 3.831 4.120 0.006 0.000 0.246 381 V C 2.611 178.590 176.094 -0.192 0.000 1.049 381 V CA 2.161 64.273 62.300 -0.315 0.000 1.024 381 V CB -0.682 30.965 31.823 -0.294 0.000 0.648 381 V HN 0.612 nan 8.190 nan 0.000 0.447 382 E N 0.476 120.618 120.200 -0.098 0.000 2.058 382 E HA -0.314 4.040 4.350 0.006 0.000 0.194 382 E C 2.204 178.774 176.600 -0.050 0.000 0.997 382 E CA 1.788 58.156 56.400 -0.054 0.000 0.801 382 E CB -0.377 29.310 29.700 -0.021 0.000 0.746 382 E HN 0.650 nan 8.360 nan 0.000 0.450 383 E N 0.879 121.048 120.200 -0.052 0.000 2.065 383 E HA -0.174 4.179 4.350 0.006 0.000 0.201 383 E C -0.491 176.087 176.600 -0.037 0.000 1.016 383 E CA 2.237 58.615 56.400 -0.036 0.000 0.818 383 E CB -0.850 28.828 29.700 -0.037 0.000 0.749 383 E HN 0.386 nan 8.360 nan 0.000 0.453 384 P HA -0.040 nan 4.420 nan 0.000 0.224 384 P C 1.242 178.518 177.300 -0.040 0.000 1.157 384 P CA 1.014 64.083 63.100 -0.052 0.000 0.799 384 P CB -0.112 31.537 31.700 -0.084 0.000 0.809 385 Q N -0.213 119.554 119.800 -0.056 0.000 2.124 385 Q HA -0.116 4.227 4.340 0.006 0.000 0.202 385 Q C 1.862 177.858 176.000 -0.006 0.000 0.977 385 Q CA 1.190 56.977 55.803 -0.028 0.000 0.850 385 Q CB -0.430 28.291 28.738 -0.028 0.000 0.901 385 Q HN 0.272 nan 8.270 nan 0.000 0.429 386 N N 0.066 118.762 118.700 -0.006 0.000 2.300 386 N HA -0.074 4.670 4.740 0.006 0.000 0.179 386 N C 1.462 176.983 175.510 0.018 0.000 1.016 386 N CA 0.558 53.612 53.050 0.007 0.000 0.876 386 N CB -0.003 38.487 38.487 0.005 0.000 0.979 386 N HN 0.109 nan 8.380 nan 0.000 0.432 387 L N 1.218 122.452 121.223 0.019 0.000 2.109 387 L HA 0.109 4.453 4.340 0.006 0.000 0.207 387 L C 1.941 178.839 176.870 0.047 0.000 1.086 387 L CA 0.959 55.822 54.840 0.038 0.000 0.760 387 L CB -0.690 41.393 42.059 0.040 0.000 0.910 387 L HN 0.076 nan 8.230 nan 0.000 0.437 388 I N -0.871 119.717 120.570 0.030 0.000 2.252 388 I HA -0.329 3.844 4.170 0.006 0.000 0.245 388 I C 2.517 178.647 176.117 0.022 0.000 1.102 388 I CA 1.069 62.385 61.300 0.026 0.000 1.385 388 I CB -0.344 37.663 38.000 0.012 0.000 1.064 388 I HN 0.253 nan 8.210 nan 0.000 0.414 389 K N 1.013 121.426 120.400 0.021 0.000 2.015 389 K HA -0.330 3.994 4.320 0.006 0.000 0.216 389 K C 2.242 178.862 176.600 0.034 0.000 1.052 389 K CA 2.556 58.856 56.287 0.021 0.000 0.937 389 K CB -0.251 32.261 32.500 0.020 0.000 0.719 389 K HN 0.484 nan 8.250 nan 0.000 0.446 390 Q N -0.001 119.828 119.800 0.047 0.000 2.083 390 Q HA -0.156 4.188 4.340 0.006 0.000 0.198 390 Q C 1.551 177.615 176.000 0.108 0.000 0.969 390 Q CA 1.852 57.694 55.803 0.065 0.000 0.838 390 Q CB -0.290 28.483 28.738 0.059 0.000 0.900 390 Q HN 0.316 nan 8.270 nan 0.000 0.436 391 N N 0.464 119.245 118.700 0.136 0.000 2.084 391 N HA -0.127 4.617 4.740 0.006 0.000 0.190 391 N C 1.839 177.418 175.510 0.116 0.000 1.030 391 N CA 1.987 55.184 53.050 0.244 0.000 0.849 391 N CB -0.355 38.308 38.487 0.292 0.000 1.012 391 N HN 0.299 nan 8.380 nan 0.000 0.423 392 c N 0.790 119.396 118.600 0.009 0.000 2.429 392 c HA -0.056 4.518 4.570 0.006 0.000 0.277 392 c C 2.462 176.563 174.090 0.018 0.000 1.262 392 c CA 0.479 56.768 56.329 -0.067 0.000 1.733 392 c CB -0.977 41.481 42.510 -0.087 0.000 2.010 392 c HN 0.515 nan 8.230 nan 0.000 0.483 393 E N 0.415 120.636 120.200 0.036 0.000 2.085 393 E HA -0.224 4.130 4.350 0.006 0.000 0.194 393 E C 2.117 178.749 176.600 0.053 0.000 0.994 393 E CA 1.025 57.449 56.400 0.041 0.000 0.801 393 E CB -0.269 29.453 29.700 0.037 0.000 0.743 393 E HN 0.637 nan 8.360 nan 0.000 0.453 394 L N 0.301 121.580 121.223 0.094 0.000 2.093 394 L HA -0.138 4.206 4.340 0.006 0.000 0.208 394 L C 2.272 179.202 176.870 0.100 0.000 1.085 394 L CA 1.056 55.981 54.840 0.141 0.000 0.755 394 L CB -0.174 42.036 42.059 0.253 0.000 0.904 394 L HN 0.160 nan 8.230 nan 0.000 0.435 395 F N 0.728 120.505 119.950 -0.289 0.000 2.269 395 F HA -0.209 4.322 4.527 0.006 0.000 0.301 395 F C 2.375 178.001 175.800 -0.291 0.000 1.082 395 F CA 1.525 59.111 58.000 -0.690 0.000 1.360 395 F CB 0.011 38.321 39.000 -1.150 0.000 1.041 395 F HN 0.127 nan 8.300 nan 0.000 0.512 396 E N 0.224 120.395 120.200 -0.049 0.000 2.250 396 E HA -0.144 4.210 4.350 0.006 0.000 0.192 396 E C 2.066 178.604 176.600 -0.103 0.000 0.986 396 E CA 0.924 57.290 56.400 -0.058 0.000 0.849 396 E CB -0.073 29.656 29.700 0.048 0.000 0.797 396 E HN 0.734 nan 8.360 nan 0.000 0.482 397 Q N -0.509 119.249 119.800 -0.069 0.000 2.378 397 Q HA -0.024 4.320 4.340 0.006 0.000 0.205 397 Q C 1.551 177.508 176.000 -0.071 0.000 0.954 397 Q CA 0.697 56.471 55.803 -0.049 0.000 0.901 397 Q CB 0.169 28.900 28.738 -0.011 0.000 0.981 397 Q HN 0.057 nan 8.270 nan 0.000 0.483 398 L N -0.204 120.947 121.223 -0.121 0.000 2.467 398 L HA 0.397 4.741 4.340 0.006 0.000 0.213 398 L C 0.777 177.543 176.870 -0.173 0.000 1.053 398 L CA 1.674 56.454 54.840 -0.101 0.000 0.847 398 L CB 0.248 42.305 42.059 -0.002 0.000 1.075 398 L HN 0.415 nan 8.230 nan 0.000 0.479 399 G N -0.021 108.542 108.800 -0.395 0.000 2.721 399 G HA2 -0.230 3.733 3.960 0.006 0.000 0.686 399 G HA3 -0.230 3.733 3.960 0.006 0.000 0.686 399 G C 0.571 175.272 174.900 -0.333 0.000 1.236 399 G CA 0.182 45.037 45.100 -0.408 0.000 0.786 399 G HN 0.253 nan 8.290 nan 0.000 0.616 400 E N 0.255 120.299 120.200 -0.259 0.000 2.068 400 E HA -0.295 4.059 4.350 0.006 0.000 0.207 400 E C 1.921 178.632 176.600 0.186 0.000 1.032 400 E CA 2.383 58.819 56.400 0.060 0.000 0.839 400 E CB -0.177 29.633 29.700 0.183 0.000 0.758 400 E HN 0.757 nan 8.360 nan 0.000 0.457 401 Y N 0.765 121.091 120.300 0.043 0.000 2.070 401 Y HA -0.244 4.311 4.550 0.007 0.000 0.280 401 Y C 2.198 178.136 175.900 0.063 0.000 1.148 401 Y CA 2.114 60.249 58.100 0.058 0.000 1.125 401 Y CB -0.007 38.474 38.460 0.036 0.000 0.975 401 Y HN -0.077 nan 8.280 nan 0.000 0.492 402 K N -0.577 119.722 120.400 -0.168 0.000 2.360 402 K HA -0.158 4.166 4.320 0.006 0.000 0.201 402 K C 1.724 178.260 176.600 -0.107 0.000 1.046 402 K CA 1.218 57.356 56.287 -0.248 0.000 0.945 402 K CB -0.290 32.158 32.500 -0.087 0.000 0.750 402 K HN 0.360 nan 8.250 nan 0.000 0.464 403 F N 1.926 121.780 119.950 -0.160 0.000 2.187 403 F HA -0.112 4.418 4.527 0.004 0.000 0.295 403 F C 1.977 177.758 175.800 -0.031 0.000 1.091 403 F CA 1.231 59.189 58.000 -0.069 0.000 1.308 403 F CB -0.098 38.905 39.000 0.005 0.000 1.030 403 F HN -0.042 nan 8.300 nan 0.000 0.487 404 Q N 0.492 120.287 119.800 -0.008 0.000 2.096 404 Q HA -0.282 4.062 4.340 0.006 0.000 0.208 404 Q C 1.959 177.850 176.000 -0.181 0.000 0.993 404 Q CA 2.378 58.127 55.803 -0.090 0.000 0.862 404 Q CB -0.644 28.116 28.738 0.036 0.000 0.915 404 Q HN 0.607 nan 8.270 nan 0.000 0.416 405 N N 0.209 118.762 118.700 -0.245 0.000 2.084 405 N HA -0.176 4.568 4.740 0.006 0.000 0.190 405 N C 1.915 177.304 175.510 -0.202 0.000 1.030 405 N CA 0.713 53.623 53.050 -0.233 0.000 0.849 405 N CB -0.251 38.048 38.487 -0.314 0.000 1.012 405 N HN 0.230 nan 8.380 nan 0.000 0.423 406 A N 2.022 124.712 122.820 -0.216 0.000 1.915 406 A HA -0.196 4.127 4.320 0.006 0.000 0.220 406 A C 2.214 179.617 177.584 -0.301 0.000 1.198 406 A CA 1.412 53.315 52.037 -0.224 0.000 0.647 406 A CB -0.955 17.925 19.000 -0.200 0.000 0.825 406 A HN 0.204 nan 8.150 nan 0.000 0.456 407 L N -1.585 119.405 121.223 -0.388 0.000 2.027 407 L HA -0.152 4.191 4.340 0.006 0.000 0.206 407 L C 2.517 179.247 176.870 -0.234 0.000 1.074 407 L CA 0.718 55.320 54.840 -0.397 0.000 0.745 407 L CB -0.706 41.166 42.059 -0.310 0.000 0.898 407 L HN 0.301 nan 8.230 nan 0.000 0.433 408 L N 0.062 121.216 121.223 -0.115 0.000 2.011 408 L HA -0.276 4.067 4.340 0.006 0.000 0.225 408 L C 2.676 179.503 176.870 -0.073 0.000 1.084 408 L CA 2.239 57.051 54.840 -0.048 0.000 0.791 408 L CB -1.040 40.986 42.059 -0.055 0.000 0.898 408 L HN 0.242 nan 8.230 nan 0.000 0.440 409 V N -1.179 118.664 119.914 -0.119 0.000 2.379 409 V HA -0.252 3.871 4.120 0.006 0.000 0.245 409 V C 2.708 178.716 176.094 -0.144 0.000 1.044 409 V CA 1.829 64.069 62.300 -0.101 0.000 1.036 409 V CB -0.442 31.330 31.823 -0.084 0.000 0.664 409 V HN 0.553 nan 8.190 nan 0.000 0.453 410 R N -0.976 119.370 120.500 -0.256 0.000 2.162 410 R HA -0.252 4.092 4.340 0.006 0.000 0.245 410 R C 2.211 178.307 176.300 -0.340 0.000 1.129 410 R CA 3.030 58.899 56.100 -0.384 0.000 0.940 410 R CB -0.757 29.137 30.300 -0.676 0.000 0.875 410 R HN 0.665 nan 8.270 nan 0.000 0.437 411 Y N -0.428 119.839 120.300 -0.055 0.000 2.395 411 Y HA 0.002 4.554 4.550 0.004 0.000 0.293 411 Y C 2.487 178.362 175.900 -0.042 0.000 1.123 411 Y CA 1.331 59.407 58.100 -0.040 0.000 1.227 411 Y CB -0.483 37.952 38.460 -0.041 0.000 1.012 411 Y HN 0.131 nan 8.280 nan 0.000 0.552 412 T N -0.471 114.112 114.554 0.048 0.000 2.904 412 T HA -0.125 4.229 4.350 0.006 0.000 0.267 412 T C 1.822 176.493 174.700 -0.047 0.000 1.059 412 T CA 1.181 63.282 62.100 0.001 0.000 1.137 412 T CB -0.083 68.785 68.868 0.001 0.000 0.879 412 T HN 0.210 nan 8.240 nan 0.000 0.467 413 K N 0.764 121.143 120.400 -0.036 0.000 2.217 413 K HA 0.038 4.362 4.320 0.006 0.000 0.202 413 K C 2.286 178.871 176.600 -0.025 0.000 1.051 413 K CA 0.918 57.185 56.287 -0.033 0.000 0.952 413 K CB 0.109 32.592 32.500 -0.028 0.000 0.736 413 K HN 0.246 nan 8.250 nan 0.000 0.453 414 K N -0.039 120.367 120.400 0.010 0.000 2.098 414 K HA -0.009 4.315 4.320 0.006 0.000 0.203 414 K C 0.714 177.322 176.600 0.014 0.000 1.051 414 K CA 1.090 57.402 56.287 0.041 0.000 0.957 414 K CB 0.566 33.141 32.500 0.126 0.000 0.738 414 K HN 0.034 nan 8.250 nan 0.000 0.447 415 V N -1.111 118.807 119.914 0.006 0.000 2.405 415 V HA 0.264 4.387 4.120 0.006 0.000 0.253 415 V C -2.498 173.533 176.094 -0.105 0.000 0.963 415 V CA -1.477 60.809 62.300 -0.024 0.000 1.003 415 V CB 1.018 32.863 31.823 0.037 0.000 1.251 415 V HN -0.059 nan 8.190 nan 0.000 0.520 416 P HA -0.126 nan 4.420 nan 0.000 0.231 416 P C 1.154 178.238 177.300 -0.359 0.000 1.158 416 P CA 1.231 64.050 63.100 -0.468 0.000 0.763 416 P CB 0.285 31.287 31.700 -1.163 0.000 0.805 417 Q N -0.820 118.860 119.800 -0.200 0.000 2.392 417 Q HA 0.086 4.430 4.340 0.006 0.000 0.203 417 Q C 0.712 176.720 176.000 0.013 0.000 0.917 417 Q CA 0.161 55.940 55.803 -0.041 0.000 0.939 417 Q CB -1.032 27.732 28.738 0.044 0.000 1.063 417 Q HN 0.054 nan 8.270 nan 0.000 0.516 418 V N 3.474 123.397 119.914 0.016 0.000 2.901 418 V HA -0.000 4.124 4.120 0.006 0.000 0.307 418 V C 0.763 176.874 176.094 0.028 0.000 1.084 418 V CA 0.240 62.566 62.300 0.044 0.000 1.184 418 V CB 0.745 32.602 31.823 0.057 0.000 0.941 418 V HN 0.415 nan 8.190 nan 0.000 0.493 419 S N 2.712 118.430 115.700 0.031 0.000 2.584 419 S HA 0.073 4.547 4.470 0.006 0.000 0.270 419 S C 1.243 175.860 174.600 0.028 0.000 1.346 419 S CA -0.092 58.124 58.200 0.026 0.000 1.018 419 S CB 0.782 63.994 63.200 0.021 0.000 0.899 419 S HN 0.776 nan 8.310 nan 0.000 0.542 420 T N 3.383 117.954 114.554 0.028 0.000 2.622 420 T HA -0.056 4.298 4.350 0.006 0.000 0.266 420 T C -0.848 173.873 174.700 0.035 0.000 1.047 420 T CA 1.798 63.917 62.100 0.033 0.000 1.159 420 T CB -1.609 67.277 68.868 0.030 0.000 0.863 420 T HN 0.569 nan 8.240 nan 0.000 0.422 421 P HA -0.088 nan 4.420 nan 0.000 0.215 421 P C 1.600 178.921 177.300 0.034 0.000 1.157 421 P CA 1.411 64.531 63.100 0.034 0.000 0.874 421 P CB -0.313 31.403 31.700 0.028 0.000 0.790 422 T N -0.516 114.057 114.554 0.031 0.000 2.821 422 T HA -0.064 4.290 4.350 0.006 0.000 0.267 422 T C 1.726 176.443 174.700 0.028 0.000 1.046 422 T CA 0.928 63.046 62.100 0.030 0.000 1.139 422 T CB -0.781 68.107 68.868 0.033 0.000 0.871 422 T HN 0.062 nan 8.240 nan 0.000 0.454 423 L N 0.537 121.781 121.223 0.034 0.000 2.141 423 L HA -0.045 4.299 4.340 0.006 0.000 0.209 423 L C 2.560 179.457 176.870 0.044 0.000 1.094 423 L CA 0.753 55.616 54.840 0.039 0.000 0.763 423 L CB -0.462 41.624 42.059 0.045 0.000 0.908 423 L HN 0.170 nan 8.230 nan 0.000 0.437 424 V N -0.058 119.883 119.914 0.046 0.000 2.323 424 V HA -0.258 3.865 4.120 0.006 0.000 0.244 424 V C 2.447 178.574 176.094 0.054 0.000 1.041 424 V CA 1.913 64.245 62.300 0.054 0.000 1.025 424 V CB -0.260 31.600 31.823 0.061 0.000 0.656 424 V HN 0.446 nan 8.190 nan 0.000 0.451 425 E N 0.909 121.136 120.200 0.046 0.000 2.023 425 E HA -0.214 4.139 4.350 0.006 0.000 0.196 425 E C 2.118 178.738 176.600 0.033 0.000 1.003 425 E CA 2.443 58.869 56.400 0.043 0.000 0.809 425 E CB -0.436 29.286 29.700 0.037 0.000 0.755 425 E HN 0.451 nan 8.360 nan 0.000 0.449 426 V N -1.304 118.616 119.914 0.010 0.000 2.427 426 V HA -0.168 3.956 4.120 0.006 0.000 0.248 426 V C 2.309 178.397 176.094 -0.010 0.000 1.051 426 V CA 2.024 64.310 62.300 -0.023 0.000 1.048 426 V CB -0.874 30.901 31.823 -0.079 0.000 0.666 426 V HN 0.210 nan 8.190 nan 0.000 0.456 427 S N 0.256 115.968 115.700 0.021 0.000 2.359 427 S HA -0.168 4.306 4.470 0.006 0.000 0.224 427 S C 2.127 176.763 174.600 0.060 0.000 1.035 427 S CA 2.134 60.368 58.200 0.057 0.000 1.018 427 S CB -0.415 62.827 63.200 0.070 0.000 0.876 427 S HN 0.655 nan 8.310 nan 0.000 0.448 428 R N 0.912 121.452 120.500 0.067 0.000 2.096 428 R HA -0.040 4.304 4.340 0.006 0.000 0.235 428 R C 2.025 178.383 176.300 0.097 0.000 1.127 428 R CA 1.664 57.819 56.100 0.093 0.000 0.968 428 R CB -0.422 29.934 30.300 0.094 0.000 0.861 428 R HN 0.489 nan 8.270 nan 0.000 0.440 429 N N 0.267 119.009 118.700 0.071 0.000 2.188 429 N HA -0.079 4.664 4.740 0.006 0.000 0.184 429 N C 1.733 177.292 175.510 0.082 0.000 1.018 429 N CA 0.651 53.743 53.050 0.071 0.000 0.858 429 N CB 0.016 38.531 38.487 0.048 0.000 0.989 429 N HN 0.105 nan 8.380 nan 0.000 0.426 430 L N 0.293 121.561 121.223 0.075 0.000 2.046 430 L HA -0.093 4.251 4.340 0.006 0.000 0.208 430 L C 2.589 179.588 176.870 0.215 0.000 1.077 430 L CA 1.226 56.132 54.840 0.109 0.000 0.747 430 L CB -0.983 41.125 42.059 0.082 0.000 0.896 430 L HN 0.299 nan 8.230 nan 0.000 0.432 431 G N 0.143 109.085 108.800 0.236 0.000 2.469 431 G HA2 -0.291 3.673 3.960 0.006 0.000 0.220 431 G HA3 -0.291 3.673 3.960 0.006 0.000 0.220 431 G C 1.701 176.797 174.900 0.326 0.000 1.136 431 G CA 0.825 46.180 45.100 0.425 0.000 0.759 431 G HN 0.319 nan 8.290 nan 0.000 0.562 432 K N -0.392 120.116 120.400 0.181 0.000 2.217 432 K HA 0.125 4.449 4.320 0.006 0.000 0.202 432 K C 2.444 179.034 176.600 -0.016 0.000 1.051 432 K CA 0.513 56.853 56.287 0.087 0.000 0.952 432 K CB -0.192 32.348 32.500 0.066 0.000 0.736 432 K HN 0.180 nan 8.250 nan 0.000 0.453 433 V N 0.883 120.806 119.914 0.014 0.000 2.287 433 V HA -0.210 3.913 4.120 0.006 0.000 0.248 433 V C 2.041 178.029 176.094 -0.175 0.000 1.053 433 V CA 2.483 64.745 62.300 -0.064 0.000 1.027 433 V CB -0.669 31.179 31.823 0.041 0.000 0.646 433 V HN 0.489 nan 8.190 nan 0.000 0.447 434 G N -1.615 107.086 108.800 -0.165 0.000 2.418 434 G HA2 -0.307 3.657 3.960 0.006 0.000 0.217 434 G HA3 -0.307 3.657 3.960 0.006 0.000 0.217 434 G C 1.904 176.221 174.900 -0.973 0.000 1.158 434 G CA 1.254 46.002 45.100 -0.586 0.000 0.771 434 G HN 0.548 nan 8.290 nan 0.000 0.545 435 S N 0.189 115.502 115.700 -0.645 0.000 2.353 435 S HA -0.154 4.319 4.470 0.006 0.000 0.222 435 S C 2.360 176.746 174.600 -0.358 0.000 1.035 435 S CA 2.173 60.126 58.200 -0.411 0.000 1.025 435 S CB -0.264 62.946 63.200 0.017 0.000 0.902 435 S HN 0.317 nan 8.310 nan 0.000 0.440 436 K N 0.471 120.673 120.400 -0.329 0.000 2.026 436 K HA 0.040 4.363 4.320 0.006 0.000 0.208 436 K C 2.129 178.483 176.600 -0.409 0.000 1.048 436 K CA 2.001 58.072 56.287 -0.359 0.000 0.929 436 K CB -0.920 31.288 32.500 -0.486 0.000 0.713 436 K HN 0.507 nan 8.250 nan 0.000 0.439 437 c N -0.883 117.502 118.600 -0.358 0.000 2.504 437 c HA 0.127 4.701 4.570 0.006 0.000 0.279 437 c C 2.427 176.369 174.090 -0.247 0.000 1.358 437 c CA 0.014 56.218 56.329 -0.207 0.000 1.747 437 c CB -0.693 41.763 42.510 -0.089 0.000 2.037 437 c HN 0.568 nan 8.230 nan 0.000 0.503 438 c N 0.959 119.333 118.600 -0.377 0.000 2.511 438 c HA -0.005 4.568 4.570 0.006 0.000 0.277 438 c C 2.136 176.073 174.090 -0.254 0.000 1.451 438 c CA 0.941 57.070 56.329 -0.333 0.000 1.735 438 c CB -1.554 40.637 42.510 -0.531 0.000 1.704 438 c HN 0.551 nan 8.230 nan 0.000 0.571 439 K N -0.245 119.961 120.400 -0.323 0.000 2.374 439 K HA 0.122 4.446 4.320 0.006 0.000 0.196 439 K C 0.406 176.830 176.600 -0.293 0.000 1.023 439 K CA 0.270 56.394 56.287 -0.272 0.000 1.103 439 K CB -0.178 32.152 32.500 -0.285 0.000 0.848 439 K HN 0.562 nan 8.250 nan 0.000 0.528 440 H N 0.351 119.376 119.070 -0.076 0.000 2.505 440 H HA 0.248 4.807 4.556 0.006 0.000 0.351 440 H C -2.166 173.137 175.328 -0.041 0.000 1.151 440 H CA -2.731 53.287 56.048 -0.049 0.000 1.339 440 H CB 0.394 30.131 29.762 -0.042 0.000 1.483 440 H HN -0.132 nan 8.280 nan 0.000 0.558 441 P HA -0.044 nan 4.420 nan 0.000 0.272 441 P C 1.054 178.385 177.300 0.051 0.000 1.248 441 P CA -0.019 63.113 63.100 0.053 0.000 0.799 441 P CB 0.941 32.663 31.700 0.037 0.000 0.997 442 E N 0.570 120.788 120.200 0.031 0.000 2.150 442 E HA -0.193 4.161 4.350 0.006 0.000 0.193 442 E C 1.625 178.246 176.600 0.035 0.000 0.985 442 E CA 1.116 57.534 56.400 0.031 0.000 0.814 442 E CB -0.447 29.269 29.700 0.027 0.000 0.752 442 E HN 0.426 nan 8.360 nan 0.000 0.466 443 A N 0.630 123.465 122.820 0.025 0.000 2.125 443 A HA -0.132 4.191 4.320 0.006 0.000 0.219 443 A C 2.039 179.621 177.584 -0.004 0.000 1.156 443 A CA 1.526 53.572 52.037 0.015 0.000 0.671 443 A CB -0.139 18.857 19.000 -0.008 0.000 0.794 443 A HN 0.107 nan 8.150 nan 0.000 0.459 444 K N -1.122 119.271 120.400 -0.012 0.000 2.380 444 K HA 0.241 4.565 4.320 0.006 0.000 0.198 444 K C 1.805 178.380 176.600 -0.041 0.000 1.070 444 K CA 0.096 56.334 56.287 -0.083 0.000 1.040 444 K CB 0.094 32.482 32.500 -0.187 0.000 0.903 444 K HN 0.359 nan 8.250 nan 0.000 0.549 445 R N -0.142 120.380 120.500 0.037 0.000 2.075 445 R HA 0.008 4.352 4.340 0.006 0.000 0.232 445 R C 2.156 178.483 176.300 0.045 0.000 1.126 445 R CA 1.728 57.868 56.100 0.065 0.000 0.963 445 R CB -0.199 30.128 30.300 0.044 0.000 0.858 445 R HN 0.223 nan 8.270 nan 0.000 0.435 446 M N 0.813 120.432 119.600 0.032 0.000 2.117 446 M HA -0.076 4.408 4.480 0.006 0.000 0.262 446 M C -0.979 175.336 176.300 0.025 0.000 1.065 446 M CA 1.753 57.068 55.300 0.024 0.000 1.114 446 M CB -0.487 32.124 32.600 0.017 0.000 1.361 446 M HN -0.056 nan 8.290 nan 0.000 0.408 447 P HA -0.085 nan 4.420 nan 0.000 0.217 447 P C 1.686 179.011 177.300 0.042 0.000 1.151 447 P CA 1.052 64.154 63.100 0.003 0.000 0.828 447 P CB -0.344 31.334 31.700 -0.036 0.000 0.788 448 c N -0.037 118.604 118.600 0.068 0.000 2.413 448 c HA -0.074 4.500 4.570 0.006 0.000 0.276 448 c C 2.828 177.059 174.090 0.235 0.000 1.236 448 c CA 1.655 58.097 56.329 0.188 0.000 1.735 448 c CB -1.658 40.989 42.510 0.228 0.000 2.031 448 c HN 0.209 nan 8.230 nan 0.000 0.474 449 A N -0.023 122.877 122.820 0.134 0.000 1.877 449 A HA -0.206 4.118 4.320 0.006 0.000 0.216 449 A C 2.141 179.786 177.584 0.103 0.000 1.186 449 A CA 1.944 54.049 52.037 0.113 0.000 0.620 449 A CB -1.037 17.999 19.000 0.061 0.000 0.822 449 A HN 0.815 nan 8.150 nan 0.000 0.443 450 E N -0.174 120.065 120.200 0.066 0.000 2.086 450 E HA -0.319 4.035 4.350 0.006 0.000 0.200 450 E C 1.546 178.171 176.600 0.042 0.000 1.012 450 E CA 1.945 58.372 56.400 0.044 0.000 0.812 450 E CB -0.272 29.444 29.700 0.027 0.000 0.743 450 E HN 0.599 nan 8.360 nan 0.000 0.453 451 D N -1.452 118.974 120.400 0.044 0.000 2.117 451 D HA -0.117 4.527 4.640 0.006 0.000 0.198 451 D C 1.610 177.795 176.300 -0.192 0.000 0.982 451 D CA 1.203 55.159 54.000 -0.073 0.000 0.828 451 D CB -0.045 40.675 40.800 -0.133 0.000 0.967 451 D HN 0.301 nan 8.370 nan 0.000 0.464 452 Y N -0.270 120.044 120.300 0.023 0.000 2.206 452 Y HA -0.039 4.514 4.550 0.005 0.000 0.292 452 Y C 2.025 177.924 175.900 -0.002 0.000 1.123 452 Y CA 0.189 58.299 58.100 0.017 0.000 1.142 452 Y CB -0.392 38.081 38.460 0.021 0.000 1.006 452 Y HN -0.052 nan 8.280 nan 0.000 0.518 453 L N 0.129 121.426 121.223 0.123 0.000 2.051 453 L HA -0.308 4.036 4.340 0.006 0.000 0.214 453 L C 2.636 179.496 176.870 -0.017 0.000 1.076 453 L CA 2.320 57.177 54.840 0.028 0.000 0.758 453 L CB -1.314 40.756 42.059 0.018 0.000 0.890 453 L HN 0.374 nan 8.230 nan 0.000 0.433 454 S N -2.207 113.487 115.700 -0.009 0.000 2.447 454 S HA -0.096 4.377 4.470 0.006 0.000 0.233 454 S C 1.878 176.458 174.600 -0.033 0.000 1.006 454 S CA 1.131 59.318 58.200 -0.021 0.000 0.957 454 S CB -0.527 62.668 63.200 -0.009 0.000 0.773 454 S HN 0.188 nan 8.310 nan 0.000 0.507 455 V N 1.356 121.250 119.914 -0.034 0.000 2.331 455 V HA -0.056 4.067 4.120 0.006 0.000 0.242 455 V C 2.649 178.733 176.094 -0.017 0.000 1.034 455 V CA 1.332 63.616 62.300 -0.025 0.000 1.027 455 V CB -0.774 31.032 31.823 -0.028 0.000 0.667 455 V HN 0.435 nan 8.190 nan 0.000 0.457 456 V N 0.503 120.412 119.914 -0.009 0.000 2.231 456 V HA -0.342 3.782 4.120 0.006 0.000 0.250 456 V C 2.390 178.419 176.094 -0.109 0.000 1.058 456 V CA 2.460 64.733 62.300 -0.044 0.000 1.022 456 V CB -0.811 30.984 31.823 -0.048 0.000 0.640 456 V HN 0.423 nan 8.190 nan 0.000 0.445 457 L N 0.047 121.178 121.223 -0.153 0.000 1.971 457 L HA -0.265 4.079 4.340 0.006 0.000 0.215 457 L C 2.508 179.317 176.870 -0.101 0.000 1.072 457 L CA 2.489 57.194 54.840 -0.226 0.000 0.758 457 L CB -1.075 40.847 42.059 -0.227 0.000 0.889 457 L HN 0.464 nan 8.230 nan 0.000 0.433 458 N N 0.166 118.842 118.700 -0.040 0.000 2.091 458 N HA -0.309 4.435 4.740 0.006 0.000 0.193 458 N C 1.887 177.400 175.510 0.004 0.000 1.021 458 N CA 1.791 54.841 53.050 -0.001 0.000 0.862 458 N CB -0.134 38.353 38.487 0.000 0.000 1.018 458 N HN 0.373 nan 8.380 nan 0.000 0.429 459 Q N -0.558 119.236 119.800 -0.010 0.000 2.432 459 Q HA -0.012 4.332 4.340 0.006 0.000 0.205 459 Q C 1.885 177.887 176.000 0.004 0.000 0.945 459 Q CA 0.293 56.099 55.803 0.005 0.000 0.924 459 Q CB 0.075 28.817 28.738 0.007 0.000 1.016 459 Q HN 0.581 nan 8.270 nan 0.000 0.503 460 L N -0.491 120.718 121.223 -0.024 0.000 2.145 460 L HA -0.064 4.280 4.340 0.006 0.000 0.201 460 L C 2.162 179.068 176.870 0.060 0.000 1.075 460 L CA 0.676 55.505 54.840 -0.018 0.000 0.773 460 L CB -0.283 41.695 42.059 -0.135 0.000 0.936 460 L HN 0.324 nan 8.230 nan 0.000 0.451 461 c N -0.691 117.949 118.600 0.067 0.000 2.425 461 c HA -0.119 4.455 4.570 0.006 0.000 0.277 461 c C 2.724 176.884 174.090 0.117 0.000 1.280 461 c CA 0.765 57.169 56.329 0.124 0.000 1.744 461 c CB -0.585 42.000 42.510 0.125 0.000 1.989 461 c HN 0.475 nan 8.230 nan 0.000 0.491 462 V N 0.865 120.824 119.914 0.075 0.000 2.255 462 V HA -0.260 3.863 4.120 0.006 0.000 0.247 462 V C 2.399 178.533 176.094 0.066 0.000 1.051 462 V CA 1.932 64.267 62.300 0.058 0.000 1.018 462 V CB -0.788 31.057 31.823 0.037 0.000 0.641 462 V HN 0.538 nan 8.190 nan 0.000 0.445 463 L N -0.429 120.835 121.223 0.067 0.000 2.021 463 L HA -0.289 4.055 4.340 0.006 0.000 0.215 463 L C 2.712 179.625 176.870 0.072 0.000 1.074 463 L CA 2.324 57.200 54.840 0.059 0.000 0.760 463 L CB -0.843 41.252 42.059 0.059 0.000 0.889 463 L HN 0.520 nan 8.230 nan 0.000 0.433 464 H N -0.012 119.076 119.070 0.030 0.000 2.428 464 H HA -0.184 4.377 4.556 0.008 0.000 0.296 464 H C 2.084 177.428 175.328 0.027 0.000 1.062 464 H CA 1.714 57.782 56.048 0.035 0.000 1.350 464 H CB 0.253 30.049 29.762 0.057 0.000 1.403 464 H HN 0.451 nan 8.280 nan 0.000 0.533 465 E N 0.958 121.253 120.200 0.158 0.000 2.048 465 E HA -0.214 4.140 4.350 0.006 0.000 0.202 465 E C 2.215 178.819 176.600 0.008 0.000 1.021 465 E CA 1.973 58.431 56.400 0.097 0.000 0.825 465 E CB 0.087 29.830 29.700 0.071 0.000 0.756 465 E HN 0.394 nan 8.360 nan 0.000 0.454 466 K N -0.643 119.752 120.400 -0.008 0.000 1.984 466 K HA -0.028 4.296 4.320 0.006 0.000 0.209 466 K C 0.755 177.316 176.600 -0.065 0.000 1.046 466 K CA 1.640 57.910 56.287 -0.028 0.000 0.934 466 K CB -0.028 32.462 32.500 -0.017 0.000 0.717 466 K HN 0.115 nan 8.250 nan 0.000 0.438 467 T N 3.155 117.653 114.554 -0.093 0.000 3.598 467 T HA 0.269 4.623 4.350 0.006 0.000 0.343 467 T C -2.587 171.938 174.700 -0.293 0.000 1.697 467 T CA -1.532 60.489 62.100 -0.131 0.000 1.247 467 T CB 0.718 69.537 68.868 -0.083 0.000 1.210 467 T HN -0.070 nan 8.240 nan 0.000 0.820 468 P HA 0.269 nan 4.420 nan 0.000 0.274 468 P C 0.746 177.827 177.300 -0.364 0.000 1.231 468 P CA -0.434 62.263 63.100 -0.671 0.000 0.790 468 P CB 1.027 32.571 31.700 -0.260 0.000 0.951 469 V N -1.698 118.057 119.914 -0.265 0.000 3.443 469 V HA 0.308 4.432 4.120 0.006 0.000 0.277 469 V C 0.067 176.248 176.094 0.145 0.000 1.648 469 V CA 0.071 62.370 62.300 -0.002 0.000 1.058 469 V CB 0.220 32.050 31.823 0.012 0.000 0.877 469 V HN 0.509 nan 8.190 nan 0.000 0.417 470 S N 2.279 118.188 115.700 0.348 0.000 2.750 470 S HA 0.288 4.762 4.470 0.006 0.000 0.276 470 S C 0.735 175.417 174.600 0.137 0.000 1.165 470 S CA 0.246 58.569 58.200 0.206 0.000 1.047 470 S CB 1.438 64.727 63.200 0.148 0.000 1.056 470 S HN 0.581 nan 8.310 nan 0.000 0.481 471 D N 5.214 125.660 120.400 0.077 0.000 2.172 471 D HA -0.248 4.396 4.640 0.006 0.000 0.196 471 D C 1.324 177.606 176.300 -0.030 0.000 0.999 471 D CA 1.208 55.228 54.000 0.034 0.000 0.856 471 D CB -0.058 40.755 40.800 0.022 0.000 0.934 471 D HN 0.631 nan 8.370 nan 0.000 0.453 472 R N 0.195 120.665 120.500 -0.050 0.000 2.119 472 R HA 0.054 4.397 4.340 0.006 0.000 0.222 472 R C 2.669 178.831 176.300 -0.229 0.000 1.088 472 R CA 0.542 56.574 56.100 -0.114 0.000 0.984 472 R CB -0.069 30.180 30.300 -0.086 0.000 0.884 472 R HN 0.110 nan 8.270 nan 0.000 0.447 473 V N 0.497 120.261 119.914 -0.250 0.000 2.453 473 V HA -0.196 3.927 4.120 0.006 0.000 0.247 473 V C 1.974 177.798 176.094 -0.449 0.000 1.048 473 V CA 2.007 64.055 62.300 -0.421 0.000 1.049 473 V CB -0.414 31.124 31.823 -0.475 0.000 0.672 473 V HN 0.358 nan 8.190 nan 0.000 0.457 474 T N -0.245 114.120 114.554 -0.315 0.000 2.803 474 T HA -0.248 4.106 4.350 0.006 0.000 0.269 474 T C 1.947 176.582 174.700 -0.109 0.000 1.052 474 T CA 1.889 63.918 62.100 -0.119 0.000 1.136 474 T CB -0.166 68.733 68.868 0.053 0.000 0.864 474 T HN 0.400 nan 8.240 nan 0.000 0.467 475 K N 0.722 121.037 120.400 -0.142 0.000 2.001 475 K HA -0.042 4.282 4.320 0.006 0.000 0.208 475 K C 2.377 178.865 176.600 -0.185 0.000 1.048 475 K CA 1.409 57.619 56.287 -0.129 0.000 0.932 475 K CB -0.815 31.612 32.500 -0.121 0.000 0.715 475 K HN 0.330 nan 8.250 nan 0.000 0.437 476 c N 0.069 118.454 118.600 -0.357 0.000 2.432 476 c HA -0.121 4.453 4.570 0.006 0.000 0.277 476 c C 2.764 176.710 174.090 -0.240 0.000 1.249 476 c CA 0.790 56.819 56.329 -0.500 0.000 1.725 476 c CB -1.098 40.620 42.510 -1.321 0.000 2.028 476 c HN 0.652 nan 8.230 nan 0.000 0.477 477 c N 1.188 119.699 118.600 -0.149 0.000 2.419 477 c HA -0.068 4.505 4.570 0.006 0.000 0.283 477 c C 2.566 176.698 174.090 0.071 0.000 1.373 477 c CA 1.871 58.231 56.329 0.051 0.000 1.781 477 c CB -1.809 40.734 42.510 0.056 0.000 1.886 477 c HN 0.854 nan 8.230 nan 0.000 0.520 478 T N -3.665 110.911 114.554 0.037 0.000 3.010 478 T HA 0.094 4.448 4.350 0.006 0.000 0.257 478 T C 0.444 175.218 174.700 0.122 0.000 1.020 478 T CA -0.007 62.145 62.100 0.086 0.000 0.938 478 T CB 0.058 68.955 68.868 0.049 0.000 1.049 478 T HN 0.295 nan 8.240 nan 0.000 0.522 479 E N 3.290 123.524 120.200 0.057 0.000 2.468 479 E HA 0.115 4.469 4.350 0.006 0.000 0.263 479 E C 0.668 177.305 176.600 0.063 0.000 1.192 479 E CA 0.305 56.728 56.400 0.039 0.000 1.016 479 E CB 0.517 30.199 29.700 -0.030 0.000 0.980 479 E HN 0.648 nan 8.360 nan 0.000 0.467 480 S N 0.538 116.205 115.700 -0.055 0.000 2.559 480 S HA -0.103 4.370 4.470 0.006 0.000 0.282 480 S C 1.205 175.614 174.600 -0.318 0.000 1.336 480 S CA -0.276 57.702 58.200 -0.370 0.000 1.037 480 S CB 0.418 63.446 63.200 -0.288 0.000 0.853 480 S HN 0.547 nan 8.310 nan 0.000 0.523 481 L N 3.132 124.049 121.223 -0.510 0.000 2.362 481 L HA 0.033 4.377 4.340 0.006 0.000 0.219 481 L C 1.961 178.747 176.870 -0.139 0.000 1.134 481 L CA 1.534 56.234 54.840 -0.232 0.000 0.807 481 L CB -0.321 41.600 42.059 -0.230 0.000 0.927 481 L HN 0.814 nan 8.230 nan 0.000 0.447 482 V N -3.015 116.799 119.914 -0.167 0.000 3.506 482 V HA 0.139 4.262 4.120 0.006 0.000 0.263 482 V C 1.515 177.565 176.094 -0.072 0.000 1.203 482 V CA 1.008 63.250 62.300 -0.097 0.000 1.133 482 V CB -0.592 31.175 31.823 -0.093 0.000 0.802 482 V HN 0.473 nan 8.190 nan 0.000 0.459 483 N N 0.709 119.363 118.700 -0.076 0.000 2.254 483 N HA 0.125 4.869 4.740 0.006 0.000 0.190 483 N C 1.738 177.234 175.510 -0.023 0.000 1.107 483 N CA 0.307 53.328 53.050 -0.049 0.000 0.869 483 N CB -0.062 38.392 38.487 -0.054 0.000 0.983 483 N HN 0.527 nan 8.380 nan 0.000 0.487 484 R N 1.323 121.822 120.500 -0.002 0.000 2.075 484 R HA 0.012 4.356 4.340 0.006 0.000 0.232 484 R C 1.953 178.365 176.300 0.186 0.000 1.126 484 R CA 0.905 57.047 56.100 0.070 0.000 0.963 484 R CB 0.088 30.455 30.300 0.112 0.000 0.858 484 R HN 0.083 nan 8.270 nan 0.000 0.435 485 R N 0.376 120.956 120.500 0.133 0.000 2.062 485 R HA -0.010 4.333 4.340 0.006 0.000 0.226 485 R C -0.872 175.505 176.300 0.129 0.000 1.125 485 R CA 0.722 56.914 56.100 0.154 0.000 0.966 485 R CB -1.113 29.228 30.300 0.068 0.000 0.861 485 R HN 0.203 nan 8.270 nan 0.000 0.433 486 P HA -0.144 nan 4.420 nan 0.000 0.217 486 P C 1.596 178.910 177.300 0.022 0.000 1.148 486 P CA 1.028 64.148 63.100 0.032 0.000 0.828 486 P CB -0.265 31.434 31.700 -0.001 0.000 0.783 487 c N -2.045 116.553 118.600 -0.004 0.000 2.446 487 c HA -0.098 4.476 4.570 0.006 0.000 0.277 487 c C 2.411 176.437 174.090 -0.106 0.000 1.275 487 c CA 0.571 56.843 56.329 -0.094 0.000 1.727 487 c CB -2.084 40.314 42.510 -0.187 0.000 2.010 487 c HN 0.075 nan 8.230 nan 0.000 0.486 488 F N 0.863 120.794 119.950 -0.031 0.000 2.293 488 F HA -0.049 4.482 4.527 0.006 0.000 0.300 488 F C 2.752 178.553 175.800 0.002 0.000 1.086 488 F CA 1.659 59.638 58.000 -0.036 0.000 1.375 488 F CB -0.241 38.718 39.000 -0.068 0.000 1.045 488 F HN 0.125 nan 8.300 nan 0.000 0.516 489 S N -0.615 115.187 115.700 0.171 0.000 2.461 489 S HA 0.016 4.490 4.470 0.006 0.000 0.228 489 S C 1.985 176.639 174.600 0.089 0.000 1.005 489 S CA 0.764 59.043 58.200 0.132 0.000 0.942 489 S CB -0.203 63.053 63.200 0.093 0.000 0.776 489 S HN 0.313 nan 8.310 nan 0.000 0.514 490 A N 0.802 123.653 122.820 0.051 0.000 2.275 490 A HA 0.334 4.658 4.320 0.006 0.000 0.212 490 A C 0.415 178.010 177.584 0.019 0.000 1.201 490 A CA -0.168 51.883 52.037 0.024 0.000 0.843 490 A CB -0.077 18.922 19.000 -0.002 0.000 0.873 490 A HN 0.261 nan 8.150 nan 0.000 0.492 491 L N 1.571 122.815 121.223 0.035 0.000 2.559 491 L HA 0.065 4.408 4.340 0.006 0.000 0.282 491 L C 0.434 177.330 176.870 0.043 0.000 1.232 491 L CA 0.911 55.771 54.840 0.034 0.000 0.885 491 L CB -0.288 41.821 42.059 0.084 0.000 1.131 491 L HN 0.405 nan 8.230 nan 0.000 0.498 492 E N 1.798 122.013 120.200 0.026 0.000 2.243 492 E HA 0.350 4.704 4.350 0.006 0.000 0.260 492 E C -0.677 175.938 176.600 0.025 0.000 0.985 492 E CA -1.097 55.317 56.400 0.023 0.000 0.858 492 E CB 1.720 31.428 29.700 0.014 0.000 1.210 492 E HN 0.184 nan 8.360 nan 0.000 0.411 493 V N 1.822 121.747 119.914 0.019 0.000 2.694 493 V HA -0.116 4.008 4.120 0.006 0.000 0.306 493 V C 0.346 176.456 176.094 0.026 0.000 1.054 493 V CA 0.370 62.680 62.300 0.017 0.000 1.161 493 V CB 0.328 32.158 31.823 0.012 0.000 0.916 493 V HN 0.547 nan 8.190 nan 0.000 0.490 494 D N 4.190 124.606 120.400 0.028 0.000 2.402 494 D HA 0.082 4.726 4.640 0.006 0.000 0.235 494 D C 1.204 177.557 176.300 0.087 0.000 1.226 494 D CA -0.090 53.939 54.000 0.048 0.000 0.918 494 D CB 0.698 41.517 40.800 0.033 0.000 1.043 494 D HN 0.631 nan 8.370 nan 0.000 0.506 495 E N 1.525 121.765 120.200 0.067 0.000 2.418 495 E HA -0.095 4.259 4.350 0.006 0.000 0.197 495 E C 1.274 177.921 176.600 0.080 0.000 1.026 495 E CA 0.719 57.159 56.400 0.068 0.000 0.862 495 E CB -0.087 29.638 29.700 0.041 0.000 0.799 495 E HN 0.553 nan 8.360 nan 0.000 0.518 496 T N -2.223 112.387 114.554 0.093 0.000 3.129 496 T HA -0.037 4.317 4.350 0.006 0.000 0.251 496 T C 0.465 175.252 174.700 0.145 0.000 1.117 496 T CA -0.411 61.743 62.100 0.091 0.000 1.034 496 T CB -0.575 68.336 68.868 0.072 0.000 0.968 496 T HN 0.155 nan 8.240 nan 0.000 0.526 497 Y N 2.133 122.447 120.300 0.024 0.000 2.436 497 Y HA 0.418 4.972 4.550 0.006 0.000 0.336 497 Y C -0.250 175.668 175.900 0.030 0.000 1.049 497 Y CA -1.181 56.937 58.100 0.030 0.000 1.294 497 Y CB 0.598 39.079 38.460 0.034 0.000 1.179 497 Y HN -0.079 nan 8.280 nan 0.000 0.520 498 V N 9.622 129.330 119.914 -0.344 0.000 2.405 498 V HA 0.103 4.227 4.120 0.006 0.000 0.264 498 V C -1.974 173.642 176.094 -0.797 0.000 1.048 498 V CA -1.776 60.280 62.300 -0.406 0.000 0.966 498 V CB 0.240 31.938 31.823 -0.209 0.000 1.015 498 V HN 0.745 nan 8.190 nan 0.000 0.477 499 P HA -0.041 nan 4.420 nan 0.000 0.255 499 P C -0.053 177.147 177.300 -0.166 0.000 1.173 499 P CA -0.013 62.894 63.100 -0.321 0.000 0.780 499 P CB 0.155 31.785 31.700 -0.116 0.000 0.758 500 K N 3.766 124.115 120.400 -0.086 0.000 2.473 500 K HA -0.102 4.222 4.320 0.006 0.000 0.277 500 K C 0.186 176.920 176.600 0.224 0.000 1.052 500 K CA 0.391 56.732 56.287 0.090 0.000 1.114 500 K CB -0.305 32.324 32.500 0.215 0.000 0.869 500 K HN 0.338 nan 8.250 nan 0.000 0.481 501 E N 3.293 123.559 120.200 0.110 0.000 2.568 501 E HA -0.108 4.246 4.350 0.006 0.000 0.262 501 E C -0.737 175.849 176.600 -0.023 0.000 0.961 501 E CA 0.337 56.800 56.400 0.106 0.000 0.945 501 E CB 0.087 29.807 29.700 0.034 0.000 0.924 501 E HN 0.471 nan 8.360 nan 0.000 0.467 502 F N 5.338 125.099 119.950 -0.315 0.000 2.541 502 F HA 0.054 4.585 4.527 0.006 0.000 0.378 502 F C 0.213 175.861 175.800 -0.252 0.000 1.068 502 F CA -0.060 57.554 58.000 -0.643 0.000 1.199 502 F CB 0.269 38.995 39.000 -0.458 0.000 1.091 502 F HN 0.371 nan 8.300 nan 0.000 0.555 503 N N 4.619 122.851 118.700 -0.781 0.000 2.399 503 N HA 0.363 5.107 4.740 0.006 0.000 0.295 503 N C 0.374 175.265 175.510 -1.031 0.000 1.048 503 N CA 0.098 52.672 53.050 -0.794 0.000 0.886 503 N CB 1.939 40.146 38.487 -0.467 0.000 1.185 503 N HN 0.838 nan 8.380 nan 0.000 0.487 504 A N 3.351 125.699 122.820 -0.787 0.000 1.897 504 A HA -0.075 4.249 4.320 0.006 0.000 0.215 504 A C 1.745 179.168 177.584 -0.268 0.000 1.181 504 A CA 1.112 52.859 52.037 -0.483 0.000 0.620 504 A CB -0.233 18.614 19.000 -0.255 0.000 0.821 504 A HN 0.793 nan 8.150 nan 0.000 0.443 505 E N -0.464 119.571 120.200 -0.276 0.000 2.107 505 E HA -0.107 4.246 4.350 0.006 0.000 0.191 505 E C 2.083 178.488 176.600 -0.324 0.000 0.982 505 E CA 1.423 57.688 56.400 -0.224 0.000 0.809 505 E CB -0.452 29.149 29.700 -0.164 0.000 0.756 505 E HN 0.583 nan 8.360 nan 0.000 0.459 506 T N 0.845 115.124 114.554 -0.458 0.000 2.649 506 T HA -0.195 4.159 4.350 0.006 0.000 0.268 506 T C 0.994 175.268 174.700 -0.710 0.000 1.036 506 T CA 1.323 63.046 62.100 -0.628 0.000 1.157 506 T CB -0.323 68.002 68.868 -0.906 0.000 0.861 506 T HN 0.126 nan 8.240 nan 0.000 0.445 507 F N 1.302 121.127 119.950 -0.208 0.000 2.987 507 F HA 0.361 4.891 4.527 0.006 0.000 0.302 507 F C 0.714 176.224 175.800 -0.484 0.000 1.221 507 F CA -0.645 57.187 58.000 -0.280 0.000 1.307 507 F CB 0.221 39.274 39.000 0.090 0.000 1.108 507 F HN -0.099 nan 8.300 nan 0.000 0.521 508 T N 1.134 115.332 114.554 -0.594 0.000 2.779 508 T HA 0.615 4.969 4.350 0.006 0.000 0.280 508 T C -0.629 173.592 174.700 -0.798 0.000 0.987 508 T CA -0.248 61.565 62.100 -0.478 0.000 0.966 508 T CB 0.389 69.120 68.868 -0.229 0.000 0.933 508 T HN 0.091 nan 8.240 nan 0.000 0.442 509 F N 3.133 123.064 119.950 -0.032 0.000 2.575 509 F HA 0.641 5.171 4.527 0.006 0.000 0.330 509 F C 0.761 176.233 175.800 -0.547 0.000 1.056 509 F CA -1.083 56.873 58.000 -0.072 0.000 0.964 509 F CB 1.628 40.874 39.000 0.409 0.000 1.258 509 F HN 0.493 nan 8.300 nan 0.000 0.484 510 H N -0.439 118.569 119.070 -0.103 0.000 2.895 510 H HA 0.428 4.988 4.556 0.006 0.000 0.373 510 H C 0.365 174.921 175.328 -1.287 0.000 1.174 510 H CA -0.580 55.127 56.048 -0.569 0.000 1.144 510 H CB 1.902 31.532 29.762 -0.221 0.000 1.793 510 H HN 0.732 nan 8.280 nan 0.000 0.551 511 A N 1.702 123.692 122.820 -1.384 0.000 1.997 511 A HA -0.282 4.042 4.320 0.006 0.000 0.221 511 A C 1.903 179.297 177.584 -0.317 0.000 1.172 511 A CA 2.235 53.769 52.037 -0.838 0.000 0.645 511 A CB -0.672 18.289 19.000 -0.065 0.000 0.813 511 A HN 0.860 nan 8.150 nan 0.000 0.454 512 D N 0.201 120.479 120.400 -0.203 0.000 2.239 512 D HA -0.226 4.418 4.640 0.006 0.000 0.202 512 D C 1.664 177.936 176.300 -0.047 0.000 0.993 512 D CA 1.390 55.340 54.000 -0.083 0.000 0.874 512 D CB -0.719 40.041 40.800 -0.066 0.000 0.922 512 D HN 0.565 nan 8.370 nan 0.000 0.464 513 I N 0.298 120.826 120.570 -0.070 0.000 2.394 513 I HA -0.244 3.929 4.170 0.006 0.000 0.251 513 I C 1.523 177.666 176.117 0.044 0.000 1.136 513 I CA 0.733 62.053 61.300 0.033 0.000 1.425 513 I CB -0.044 38.023 38.000 0.111 0.000 1.079 513 I HN 0.080 nan 8.210 nan 0.000 0.425 514 c N 0.545 119.163 118.600 0.031 0.000 2.409 514 c HA -0.128 4.446 4.570 0.006 0.000 0.284 514 c C 2.461 176.569 174.090 0.029 0.000 1.354 514 c CA 1.414 57.776 56.329 0.055 0.000 1.787 514 c CB -1.922 40.639 42.510 0.086 0.000 1.900 514 c HN 0.682 nan 8.230 nan 0.000 0.520 515 T N -2.354 112.210 114.554 0.016 0.000 3.163 515 T HA 0.335 4.689 4.350 0.006 0.000 0.252 515 T C 0.152 174.860 174.700 0.014 0.000 1.056 515 T CA 0.036 62.143 62.100 0.011 0.000 0.947 515 T CB -0.248 68.621 68.868 0.001 0.000 1.016 515 T HN 0.074 nan 8.240 nan 0.000 0.554 516 L N 2.167 123.404 121.223 0.022 0.000 2.332 516 L HA 0.629 4.972 4.340 0.006 0.000 0.269 516 L C 0.907 177.789 176.870 0.019 0.000 1.016 516 L CA -0.891 53.964 54.840 0.025 0.000 0.809 516 L CB 0.996 43.078 42.059 0.039 0.000 1.280 516 L HN 0.356 nan 8.230 nan 0.000 0.447 517 S N -0.436 115.275 115.700 0.017 0.000 2.596 517 S HA 0.110 4.584 4.470 0.006 0.000 0.260 517 S C 1.026 175.628 174.600 0.003 0.000 1.336 517 S CA -0.382 57.824 58.200 0.009 0.000 0.993 517 S CB 1.057 64.264 63.200 0.012 0.000 0.923 517 S HN 0.556 nan 8.310 nan 0.000 0.567 518 E N 1.259 121.452 120.200 -0.013 0.000 2.035 518 E HA -0.202 4.152 4.350 0.006 0.000 0.204 518 E C 1.888 178.471 176.600 -0.028 0.000 1.025 518 E CA 1.752 58.129 56.400 -0.039 0.000 0.835 518 E CB -0.664 29.005 29.700 -0.052 0.000 0.764 518 E HN 0.785 nan 8.360 nan 0.000 0.457 519 K N 0.381 120.779 120.400 -0.005 0.000 2.023 519 K HA -0.277 4.047 4.320 0.006 0.000 0.227 519 K C 2.136 178.759 176.600 0.039 0.000 1.054 519 K CA 2.473 58.773 56.287 0.022 0.000 0.977 519 K CB -0.219 32.300 32.500 0.031 0.000 0.733 519 K HN 0.165 nan 8.250 nan 0.000 0.451 520 E N -0.435 119.789 120.200 0.040 0.000 2.049 520 E HA -0.269 4.085 4.350 0.006 0.000 0.198 520 E C 2.281 178.923 176.600 0.070 0.000 1.007 520 E CA 1.452 57.885 56.400 0.055 0.000 0.809 520 E CB -0.185 29.544 29.700 0.048 0.000 0.749 520 E HN 0.305 nan 8.360 nan 0.000 0.450 521 R N 1.136 121.670 120.500 0.057 0.000 2.096 521 R HA -0.195 4.148 4.340 0.006 0.000 0.235 521 R C 2.349 178.706 176.300 0.095 0.000 1.127 521 R CA 1.869 58.015 56.100 0.077 0.000 0.968 521 R CB -0.086 30.242 30.300 0.047 0.000 0.861 521 R HN 0.297 nan 8.270 nan 0.000 0.440 522 Q N 0.098 119.929 119.800 0.050 0.000 2.079 522 Q HA -0.158 4.186 4.340 0.006 0.000 0.200 522 Q C 2.274 178.388 176.000 0.190 0.000 0.974 522 Q CA 1.425 57.293 55.803 0.108 0.000 0.840 522 Q CB -0.425 28.319 28.738 0.010 0.000 0.898 522 Q HN 0.375 nan 8.270 nan 0.000 0.430 523 I N 1.429 122.083 120.570 0.140 0.000 2.151 523 I HA -0.299 3.875 4.170 0.006 0.000 0.243 523 I C 2.702 178.901 176.117 0.136 0.000 1.080 523 I CA 1.513 62.891 61.300 0.129 0.000 1.339 523 I CB -0.186 37.873 38.000 0.099 0.000 1.039 523 I HN 0.203 nan 8.210 nan 0.000 0.409 524 K N 0.687 121.177 120.400 0.150 0.000 2.217 524 K HA -0.175 4.149 4.320 0.006 0.000 0.202 524 K C 2.066 178.799 176.600 0.222 0.000 1.051 524 K CA 1.147 57.545 56.287 0.187 0.000 0.952 524 K CB 0.128 32.756 32.500 0.213 0.000 0.736 524 K HN 0.226 nan 8.250 nan 0.000 0.453 525 K N 0.444 120.967 120.400 0.204 0.000 2.001 525 K HA -0.151 4.172 4.320 0.006 0.000 0.208 525 K C 2.227 178.890 176.600 0.106 0.000 1.048 525 K CA 1.635 58.015 56.287 0.154 0.000 0.932 525 K CB -0.024 32.615 32.500 0.231 0.000 0.715 525 K HN 0.185 nan 8.250 nan 0.000 0.437 526 Q N 0.020 119.906 119.800 0.143 0.000 2.096 526 Q HA -0.147 4.197 4.340 0.006 0.000 0.204 526 Q C 2.105 178.153 176.000 0.081 0.000 0.982 526 Q CA 1.810 57.672 55.803 0.097 0.000 0.850 526 Q CB -0.293 28.514 28.738 0.115 0.000 0.901 526 Q HN 0.320 nan 8.270 nan 0.000 0.422 527 T N 1.049 115.663 114.554 0.100 0.000 2.665 527 T HA -0.200 4.154 4.350 0.006 0.000 0.268 527 T C 1.897 176.658 174.700 0.101 0.000 1.035 527 T CA 1.463 63.618 62.100 0.092 0.000 1.151 527 T CB -0.267 68.660 68.868 0.098 0.000 0.862 527 T HN 0.432 nan 8.240 nan 0.000 0.438 528 A N 0.661 123.566 122.820 0.141 0.000 2.016 528 A HA 0.158 4.482 4.320 0.006 0.000 0.217 528 A C 2.158 179.858 177.584 0.193 0.000 1.162 528 A CA 0.667 52.825 52.037 0.202 0.000 0.662 528 A CB -0.512 18.704 19.000 0.361 0.000 0.812 528 A HN 0.389 nan 8.150 nan 0.000 0.450 529 L N -0.084 121.189 121.223 0.082 0.000 2.109 529 L HA -0.050 4.293 4.340 0.006 0.000 0.207 529 L C 2.290 179.210 176.870 0.083 0.000 1.086 529 L CA 1.632 56.501 54.840 0.048 0.000 0.760 529 L CB -0.613 41.439 42.059 -0.012 0.000 0.910 529 L HN 0.142 nan 8.230 nan 0.000 0.437 530 V N 0.198 120.160 119.914 0.081 0.000 2.220 530 V HA -0.292 3.832 4.120 0.006 0.000 0.246 530 V C 2.633 178.803 176.094 0.127 0.000 1.049 530 V CA 2.058 64.406 62.300 0.080 0.000 1.003 530 V CB -0.832 31.028 31.823 0.062 0.000 0.634 530 V HN 0.459 nan 8.190 nan 0.000 0.444 531 E N -0.062 120.225 120.200 0.144 0.000 2.114 531 E HA -0.292 4.062 4.350 0.006 0.000 0.199 531 E C 2.119 178.957 176.600 0.396 0.000 1.008 531 E CA 1.560 58.076 56.400 0.194 0.000 0.810 531 E CB -0.570 29.159 29.700 0.049 0.000 0.739 531 E HN 0.500 nan 8.360 nan 0.000 0.456 532 L N 0.613 122.091 121.223 0.426 0.000 2.131 532 L HA -0.125 4.219 4.340 0.006 0.000 0.210 532 L C 2.252 179.252 176.870 0.217 0.000 1.092 532 L CA 1.034 56.084 54.840 0.348 0.000 0.759 532 L CB -0.053 42.084 42.059 0.130 0.000 0.903 532 L HN -0.104 nan 8.230 nan 0.000 0.435 533 V N -0.686 119.328 119.914 0.167 0.000 2.407 533 V HA -0.211 3.913 4.120 0.006 0.000 0.245 533 V C 2.448 178.652 176.094 0.183 0.000 1.041 533 V CA 1.715 64.085 62.300 0.118 0.000 1.040 533 V CB -0.515 31.345 31.823 0.061 0.000 0.671 533 V HN 0.413 nan 8.190 nan 0.000 0.455 534 K N -0.437 120.103 120.400 0.234 0.000 2.147 534 K HA -0.216 4.108 4.320 0.006 0.000 0.205 534 K C 2.195 179.049 176.600 0.423 0.000 1.049 534 K CA 1.691 58.195 56.287 0.362 0.000 0.936 534 K CB -0.243 32.447 32.500 0.317 0.000 0.722 534 K HN 0.525 nan 8.250 nan 0.000 0.446 535 H N 0.576 119.800 119.070 0.256 0.000 2.482 535 H HA 0.116 4.676 4.556 0.007 0.000 0.286 535 H C -0.170 175.246 175.328 0.147 0.000 1.017 535 H CA 0.933 57.115 56.048 0.224 0.000 1.322 535 H CB 0.553 30.522 29.762 0.345 0.000 1.426 535 H HN -0.195 nan 8.280 nan 0.000 0.546 536 K N 1.045 121.456 120.400 0.019 0.000 2.920 536 K HA 0.155 4.479 4.320 0.006 0.000 0.175 536 K C -2.418 174.180 176.600 -0.002 0.000 1.099 536 K CA -1.332 54.899 56.287 -0.094 0.000 0.939 536 K CB 1.900 34.302 32.500 -0.164 0.000 1.148 536 K HN 0.240 nan 8.250 nan 0.000 0.613 537 P HA -0.178 nan 4.420 nan 0.000 0.225 537 P C 0.466 177.784 177.300 0.030 0.000 1.148 537 P CA 1.092 64.240 63.100 0.080 0.000 0.779 537 P CB 0.367 32.167 31.700 0.168 0.000 0.780 538 K N -1.120 119.281 120.400 0.001 0.000 2.358 538 K HA 0.323 4.647 4.320 0.006 0.000 0.200 538 K C 0.876 177.460 176.600 -0.027 0.000 1.030 538 K CA -0.310 55.970 56.287 -0.011 0.000 1.097 538 K CB -0.332 32.161 32.500 -0.013 0.000 0.862 538 K HN -0.079 nan 8.250 nan 0.000 0.534 539 A N 3.067 125.865 122.820 -0.036 0.000 2.600 539 A HA 0.032 4.356 4.320 0.006 0.000 0.244 539 A C 0.643 178.206 177.584 -0.034 0.000 1.016 539 A CA 0.437 52.449 52.037 -0.043 0.000 0.778 539 A CB -0.585 18.387 19.000 -0.048 0.000 0.920 539 A HN 0.500 nan 8.150 nan 0.000 0.513 540 T N 1.306 115.839 114.554 -0.034 0.000 2.855 540 T HA 0.093 4.447 4.350 0.006 0.000 0.322 540 T C 1.298 175.978 174.700 -0.033 0.000 1.088 540 T CA 0.067 62.149 62.100 -0.030 0.000 1.104 540 T CB 0.679 69.530 68.868 -0.028 0.000 0.996 540 T HN 0.712 nan 8.240 nan 0.000 0.549 541 K N 1.048 121.428 120.400 -0.032 0.000 2.074 541 K HA -0.203 4.121 4.320 0.006 0.000 0.209 541 K C 1.915 178.497 176.600 -0.030 0.000 1.048 541 K CA 1.795 58.061 56.287 -0.035 0.000 0.926 541 K CB -0.342 32.139 32.500 -0.033 0.000 0.713 541 K HN 0.741 nan 8.250 nan 0.000 0.444 542 E N 0.797 120.981 120.200 -0.026 0.000 2.058 542 E HA -0.224 4.130 4.350 0.006 0.000 0.194 542 E C 2.220 178.804 176.600 -0.026 0.000 0.997 542 E CA 1.388 57.774 56.400 -0.023 0.000 0.801 542 E CB -0.352 29.335 29.700 -0.021 0.000 0.746 542 E HN 0.510 nan 8.360 nan 0.000 0.450 543 Q N 0.332 120.114 119.800 -0.031 0.000 2.119 543 Q HA -0.038 4.306 4.340 0.006 0.000 0.201 543 Q C 2.507 178.483 176.000 -0.040 0.000 0.972 543 Q CA 0.808 56.589 55.803 -0.037 0.000 0.847 543 Q CB -0.089 28.622 28.738 -0.044 0.000 0.903 543 Q HN 0.231 nan 8.270 nan 0.000 0.433 544 L N 0.422 121.622 121.223 -0.039 0.000 2.027 544 L HA -0.181 4.163 4.340 0.006 0.000 0.206 544 L C 2.515 179.366 176.870 -0.031 0.000 1.074 544 L CA 0.888 55.703 54.840 -0.041 0.000 0.745 544 L CB -0.469 41.565 42.059 -0.042 0.000 0.898 544 L HN 0.134 nan 8.230 nan 0.000 0.433 545 K N 0.646 121.031 120.400 -0.026 0.000 2.015 545 K HA -0.289 4.035 4.320 0.006 0.000 0.220 545 K C 2.011 178.609 176.600 -0.004 0.000 1.055 545 K CA 2.260 58.538 56.287 -0.014 0.000 0.951 545 K CB -0.403 32.089 32.500 -0.014 0.000 0.725 545 K HN 0.326 nan 8.250 nan 0.000 0.449 546 A N 0.383 123.197 122.820 -0.010 0.000 2.070 546 A HA -0.077 4.247 4.320 0.006 0.000 0.220 546 A C 2.358 179.941 177.584 -0.002 0.000 1.159 546 A CA 1.433 53.467 52.037 -0.005 0.000 0.656 546 A CB -0.283 18.709 19.000 -0.013 0.000 0.800 546 A HN 0.174 nan 8.150 nan 0.000 0.453 547 V N -0.261 119.646 119.914 -0.012 0.000 2.239 547 V HA -0.281 3.843 4.120 0.006 0.000 0.242 547 V C 2.525 178.643 176.094 0.040 0.000 1.038 547 V CA 1.953 64.247 62.300 -0.011 0.000 1.002 547 V CB -0.803 30.988 31.823 -0.054 0.000 0.641 547 V HN 0.566 nan 8.190 nan 0.000 0.449 548 M N -0.169 119.446 119.600 0.025 0.000 2.471 548 M HA -0.330 4.153 4.480 0.006 0.000 0.260 548 M C 2.054 178.429 176.300 0.126 0.000 1.065 548 M CA 2.540 57.880 55.300 0.068 0.000 1.075 548 M CB -0.966 31.648 32.600 0.024 0.000 1.258 548 M HN 0.348 nan 8.290 nan 0.000 0.457 549 D N 0.711 121.155 120.400 0.073 0.000 2.355 549 D HA -0.218 4.426 4.640 0.006 0.000 0.192 549 D C 1.447 177.794 176.300 0.078 0.000 1.014 549 D CA 1.916 55.955 54.000 0.065 0.000 0.862 549 D CB -0.623 40.197 40.800 0.033 0.000 0.986 549 D HN 0.370 nan 8.370 nan 0.000 0.456 550 D N -1.103 119.335 120.400 0.064 0.000 2.311 550 D HA -0.140 4.504 4.640 0.006 0.000 0.212 550 D C 1.835 178.192 176.300 0.094 0.000 0.972 550 D CA 0.256 54.289 54.000 0.056 0.000 0.887 550 D CB -0.303 40.510 40.800 0.021 0.000 0.915 550 D HN 0.295 nan 8.370 nan 0.000 0.497 551 F N 1.503 121.448 119.950 -0.008 0.000 2.149 551 F HA 0.041 4.572 4.527 0.007 0.000 0.294 551 F C 2.255 178.126 175.800 0.117 0.000 1.095 551 F CA 1.175 59.172 58.000 -0.006 0.000 1.276 551 F CB -0.102 38.858 39.000 -0.067 0.000 1.023 551 F HN -0.073 nan 8.300 nan 0.000 0.480 552 A N 0.727 123.623 122.820 0.126 0.000 1.902 552 A HA -0.058 4.266 4.320 0.006 0.000 0.217 552 A C 2.350 179.904 177.584 -0.049 0.000 1.181 552 A CA 1.604 53.653 52.037 0.019 0.000 0.623 552 A CB -1.593 17.478 19.000 0.119 0.000 0.818 552 A HN 0.511 nan 8.150 nan 0.000 0.443 553 A N -1.436 121.383 122.820 -0.002 0.000 2.076 553 A HA -0.052 4.272 4.320 0.006 0.000 0.220 553 A C 1.945 179.494 177.584 -0.057 0.000 1.160 553 A CA 1.530 53.554 52.037 -0.022 0.000 0.653 553 A CB -0.672 18.331 19.000 0.005 0.000 0.801 553 A HN 0.729 nan 8.150 nan 0.000 0.455 554 F N 0.682 120.479 119.950 -0.255 0.000 2.163 554 F HA -0.098 4.433 4.527 0.006 0.000 0.297 554 F C 2.205 177.729 175.800 -0.460 0.000 1.094 554 F CA 1.890 59.674 58.000 -0.359 0.000 1.290 554 F CB -0.111 38.641 39.000 -0.414 0.000 1.017 554 F HN 0.118 nan 8.300 nan 0.000 0.483 555 V N -1.245 118.331 119.914 -0.563 0.000 2.446 555 V HA -0.076 4.048 4.120 0.006 0.000 0.244 555 V C 2.288 178.187 176.094 -0.327 0.000 1.039 555 V CA 1.733 63.718 62.300 -0.524 0.000 1.045 555 V CB -0.875 30.757 31.823 -0.318 0.000 0.681 555 V HN 0.434 nan 8.190 nan 0.000 0.459 556 E N 1.587 121.656 120.200 -0.218 0.000 2.006 556 E HA -0.284 4.070 4.350 0.006 0.000 0.192 556 E C 2.217 178.716 176.600 -0.167 0.000 0.993 556 E CA 1.893 58.209 56.400 -0.141 0.000 0.808 556 E CB -0.622 29.026 29.700 -0.086 0.000 0.764 556 E HN 0.559 nan 8.360 nan 0.000 0.449 557 K N 0.660 120.954 120.400 -0.177 0.000 2.520 557 K HA -0.106 4.217 4.320 0.006 0.000 0.197 557 K C 1.816 178.273 176.600 -0.239 0.000 1.043 557 K CA 0.799 56.986 56.287 -0.167 0.000 0.944 557 K CB -0.708 31.710 32.500 -0.136 0.000 0.770 557 K HN 0.243 nan 8.250 nan 0.000 0.480 558 c N -0.138 118.244 118.600 -0.363 0.000 2.535 558 c HA 0.238 4.812 4.570 0.006 0.000 0.310 558 c C 1.389 175.306 174.090 -0.288 0.000 1.344 558 c CA -0.426 55.609 56.329 -0.489 0.000 1.831 558 c CB -0.344 41.533 42.510 -1.056 0.000 2.284 558 c HN 0.515 nan 8.230 nan 0.000 0.523 568 F N 0.845 120.811 119.950 0.026 0.000 2.537 568 F HA 0.464 4.995 4.527 0.006 0.000 0.277 568 F C 2.541 178.463 175.800 0.202 0.000 1.013 568 F CA 1.069 59.129 58.000 0.099 0.000 1.332 568 F CB -0.208 38.829 39.000 0.062 0.000 1.108 568 F HN 0.365 nan 8.300 nan 0.000 0.679 569 A N 1.133 124.143 122.820 0.315 0.000 1.841 569 A HA -0.245 4.079 4.320 0.006 0.000 0.216 569 A C 1.964 179.668 177.584 0.200 0.000 1.199 569 A CA 2.368 54.537 52.037 0.219 0.000 0.621 569 A CB -1.033 18.062 19.000 0.159 0.000 0.835 569 A HN 0.541 nan 8.150 nan 0.000 0.445 570 E N -1.218 119.078 120.200 0.160 0.000 2.122 570 E HA -0.086 4.268 4.350 0.006 0.000 0.190 570 E C 1.536 178.220 176.600 0.141 0.000 0.977 570 E CA 0.708 57.183 56.400 0.124 0.000 0.820 570 E CB -0.357 29.393 29.700 0.083 0.000 0.770 570 E HN 0.462 nan 8.360 nan 0.000 0.462 571 E N 0.983 121.289 120.200 0.178 0.000 2.331 571 E HA -0.113 4.240 4.350 0.006 0.000 0.199 571 E C 1.961 178.735 176.600 0.290 0.000 1.008 571 E CA 1.182 57.732 56.400 0.250 0.000 0.843 571 E CB -0.094 29.778 29.700 0.286 0.000 0.761 571 E HN 0.517 nan 8.360 nan 0.000 0.507 572 G N 1.010 109.992 108.800 0.304 0.000 2.490 572 G HA2 -0.144 3.820 3.960 0.006 0.000 0.211 572 G HA3 -0.144 3.820 3.960 0.006 0.000 0.211 572 G C 1.494 176.451 174.900 0.094 0.000 1.159 572 G CA 0.029 45.214 45.100 0.141 0.000 0.819 572 G HN 0.131 nan 8.290 nan 0.000 0.539 573 K N 1.297 121.769 120.400 0.121 0.000 2.030 573 K HA -0.269 4.055 4.320 0.006 0.000 0.222 573 K C 2.596 179.231 176.600 0.059 0.000 1.056 573 K CA 2.186 58.528 56.287 0.092 0.000 0.957 573 K CB -0.324 32.226 32.500 0.084 0.000 0.727 573 K HN 0.443 nan 8.250 nan 0.000 0.452 574 K N 1.045 121.473 120.400 0.046 0.000 2.002 574 K HA -0.151 4.173 4.320 0.006 0.000 0.209 574 K C 2.327 178.917 176.600 -0.017 0.000 1.048 574 K CA 1.413 57.711 56.287 0.018 0.000 0.930 574 K CB -0.721 31.792 32.500 0.022 0.000 0.714 574 K HN 0.024 nan 8.250 nan 0.000 0.438 575 L N 2.243 123.434 121.223 -0.054 0.000 2.030 575 L HA -0.252 4.092 4.340 0.006 0.000 0.222 575 L C 2.297 179.116 176.870 -0.086 0.000 1.082 575 L CA 1.680 56.450 54.840 -0.117 0.000 0.785 575 L CB -0.554 41.312 42.059 -0.322 0.000 0.895 575 L HN 0.111 nan 8.230 nan 0.000 0.439 576 V N -0.346 119.537 119.914 -0.051 0.000 2.343 576 V HA -0.286 3.838 4.120 0.006 0.000 0.247 576 V C 2.692 178.739 176.094 -0.078 0.000 1.051 576 V CA 1.796 64.074 62.300 -0.037 0.000 1.036 576 V CB -0.997 30.882 31.823 0.093 0.000 0.654 576 V HN 0.686 nan 8.190 nan 0.000 0.451 577 A N -0.641 122.154 122.820 -0.042 0.000 1.970 577 A HA 0.105 4.429 4.320 0.006 0.000 0.216 577 A C 2.373 179.916 177.584 -0.069 0.000 1.170 577 A CA 1.476 53.479 52.037 -0.056 0.000 0.645 577 A CB -0.542 18.448 19.000 -0.017 0.000 0.816 577 A HN 0.530 nan 8.150 nan 0.000 0.447 578 A N -0.382 122.403 122.820 -0.058 0.000 1.877 578 A HA -0.093 4.231 4.320 0.006 0.000 0.216 578 A C 2.438 179.976 177.584 -0.077 0.000 1.186 578 A CA 2.139 54.143 52.037 -0.055 0.000 0.620 578 A CB -0.843 18.130 19.000 -0.045 0.000 0.822 578 A HN 0.419 nan 8.150 nan 0.000 0.443 579 S N -0.574 115.065 115.700 -0.101 0.000 2.387 579 S HA -0.131 4.343 4.470 0.006 0.000 0.226 579 S C 2.111 176.617 174.600 -0.157 0.000 1.026 579 S CA 1.161 59.284 58.200 -0.128 0.000 0.972 579 S CB -0.259 62.843 63.200 -0.162 0.000 0.814 579 S HN 0.632 nan 8.310 nan 0.000 0.477 580 Q N 0.606 120.297 119.800 -0.182 0.000 2.167 580 Q HA 0.011 4.355 4.340 0.006 0.000 0.202 580 Q C 2.351 178.266 176.000 -0.141 0.000 0.970 580 Q CA 1.226 56.904 55.803 -0.209 0.000 0.855 580 Q CB -0.304 28.267 28.738 -0.278 0.000 0.911 580 Q HN 0.580 nan 8.270 nan 0.000 0.438 581 A N 0.614 123.371 122.820 -0.105 0.000 2.121 581 A HA 0.060 4.384 4.320 0.006 0.000 0.218 581 A C 1.766 179.306 177.584 -0.074 0.000 1.154 581 A CA 1.321 53.312 52.037 -0.076 0.000 0.679 581 A CB -0.063 18.903 19.000 -0.056 0.000 0.795 581 A HN 0.291 nan 8.150 nan 0.000 0.458 582 A N -1.285 121.484 122.820 -0.085 0.000 2.594 582 A HA 0.621 4.945 4.320 0.006 0.000 0.287 582 A C 0.841 178.374 177.584 -0.084 0.000 1.227 582 A CA -0.158 51.835 52.037 -0.074 0.000 0.952 582 A CB 0.016 18.978 19.000 -0.064 0.000 1.161 582 A HN 0.333 nan 8.150 nan 0.000 0.524 583 L N -0.922 120.239 121.223 -0.103 0.000 3.135 583 L HA 0.342 4.686 4.340 0.006 0.000 0.279 583 L C 0.901 177.704 176.870 -0.113 0.000 1.200 583 L CA 0.147 54.919 54.840 -0.114 0.000 1.016 583 L CB 0.983 42.952 42.059 -0.150 0.000 1.391 583 L HN 0.452 nan 8.230 nan 0.000 0.588 584 G N 0.000 108.743 108.800 -0.095 0.000 5.446 584 G HA2 0.000 3.964 3.960 0.006 0.000 0.244 584 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 584 G CA 0.000 45.048 45.100 -0.086 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925