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 1jiq_1_C DATA FIRST_RESID 1 DATA SEQUENCE MAALTRDPQF QKLQQWYREH RSELNLRRLF DANKDRFNHF SLTLNTNHGH DATA SEQUENCE ILVDYSKNLV TEDVMRMLVD LAKSRGVEAA RERMFNGEKI NYTEGRAVLH DATA SEQUENCE VALRNRSNTP ILVDGKDVMP EVNKVLDKMK SFCQRVRSGD WKGYTGKTIT DATA SEQUENCE DVINIGIGGS DLGPLMVTEA LKPYSSGGPR VWYVSNIDGT HIAKTLAQLN DATA SEQUENCE PESSLFIIAS KTFTTQETIT NAETAKEWFL QAAKDPSAVA KHFVALSTNT DATA SEQUENCE TKVKEFGIDP QNMFEFWDWV GGRYSLWSAI GLSIALHVGF DNFEQLLSGA DATA SEQUENCE HWMDQHFRTT PLEKNAPVLL ALLGIWYINC FGCETHAMLP YDQYLHRFAA DATA SEQUENCE YFQQGDMESN GKYITKSGTR VDHQTGPIVW GEPGTNGQHA FYQLIHQGTK DATA SEQUENCE MIPCDFLIPV QTQHPIRKGL HHKILLANFL AQTEALMRGK STEEARKELQ DATA SEQUENCE AAGKSPEDLE RLLPHKVFEG NRPTNSIVFT KLTPFMLGAL VAMYEHKIFV DATA SEQUENCE QGIIWDINSF DQWGVELGKQ LAKKIEPELD GSAQVTSHDA STNGLINFIK DATA SEQUENCE QQREARV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.335 176.300 0.059 0.000 1.140 1 M CA 0.000 55.336 55.300 0.059 0.000 0.988 1 M CB 0.000 32.642 32.600 0.069 0.000 1.302 2 A N 1.241 124.115 122.820 0.090 0.000 2.256 2 A HA 0.894 5.214 4.320 -0.000 0.000 0.318 2 A C 1.027 178.668 177.584 0.095 0.000 1.103 2 A CA 0.173 52.270 52.037 0.099 0.000 0.860 2 A CB 0.672 19.764 19.000 0.154 0.000 1.182 2 A HN 1.147 nan 8.150 nan 0.000 0.501 3 A N -0.260 122.608 122.820 0.079 0.000 1.903 3 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 3 A C 1.982 179.573 177.584 0.011 0.000 1.191 3 A CA 2.253 54.316 52.037 0.043 0.000 0.638 3 A CB -0.849 18.172 19.000 0.035 0.000 0.823 3 A HN 1.352 nan 8.150 nan 0.000 0.451 4 L N 0.276 121.479 121.223 -0.034 0.000 2.056 4 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 4 L C 2.680 179.406 176.870 -0.239 0.000 1.078 4 L CA 3.010 57.692 54.840 -0.264 0.000 0.749 4 L CB -1.028 40.650 42.059 -0.635 0.000 0.901 4 L HN 0.558 nan 8.230 nan 0.000 0.433 5 T N -3.108 111.412 114.554 -0.057 0.000 2.915 5 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 5 T C 1.938 176.759 174.700 0.202 0.000 1.071 5 T CA 1.063 63.261 62.100 0.163 0.000 1.132 5 T CB -0.510 68.488 68.868 0.217 0.000 0.878 5 T HN 0.360 nan 8.240 nan 0.000 0.479 6 R N 1.431 122.004 120.500 0.121 0.000 2.307 6 R HA 0.141 4.481 4.340 -0.000 0.000 0.199 6 R C 0.680 177.043 176.300 0.104 0.000 1.000 6 R CA 0.192 56.353 56.100 0.103 0.000 1.023 6 R CB -0.080 30.261 30.300 0.068 0.000 0.908 6 R HN 0.512 nan 8.270 nan 0.000 0.473 7 D N 1.238 121.712 120.400 0.124 0.000 2.348 7 D HA 0.025 4.665 4.640 -0.000 0.000 0.253 7 D C -1.674 174.718 176.300 0.155 0.000 1.161 7 D CA -1.975 52.096 54.000 0.118 0.000 0.876 7 D CB 1.659 42.516 40.800 0.096 0.000 1.160 7 D HN -0.087 nan 8.370 nan 0.000 0.459 8 P HA -0.148 nan 4.420 nan 0.000 0.217 8 P C 1.125 178.477 177.300 0.088 0.000 1.150 8 P CA 1.029 64.180 63.100 0.084 0.000 0.832 8 P CB 0.376 32.109 31.700 0.054 0.000 0.787 9 Q N -1.460 118.394 119.800 0.090 0.000 2.167 9 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 9 Q C 2.057 178.129 176.000 0.120 0.000 0.970 9 Q CA 1.004 56.853 55.803 0.076 0.000 0.855 9 Q CB -1.244 27.524 28.738 0.050 0.000 0.911 9 Q HN 0.298 nan 8.270 nan 0.000 0.438 10 F N 2.101 122.063 119.950 0.021 0.000 2.146 10 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 10 F C 2.118 177.960 175.800 0.070 0.000 1.096 10 F CA 1.388 59.411 58.000 0.038 0.000 1.275 10 F CB -0.058 38.953 39.000 0.019 0.000 1.008 10 F HN 0.061 nan 8.300 nan 0.000 0.480 11 Q N 0.520 120.337 119.800 0.028 0.000 2.124 11 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 11 Q C 2.117 178.091 176.000 -0.044 0.000 0.977 11 Q CA 2.057 57.832 55.803 -0.047 0.000 0.850 11 Q CB -0.389 28.384 28.738 0.058 0.000 0.901 11 Q HN 0.576 nan 8.270 nan 0.000 0.429 12 K N 0.656 121.064 120.400 0.013 0.000 2.148 12 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 12 K C 1.989 178.646 176.600 0.095 0.000 1.050 12 K CA 0.867 57.191 56.287 0.061 0.000 0.942 12 K CB -0.255 32.285 32.500 0.067 0.000 0.724 12 K HN 0.097 nan 8.250 nan 0.000 0.446 13 L N 1.229 122.465 121.223 0.021 0.000 2.017 13 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 13 L C 2.704 179.680 176.870 0.177 0.000 1.073 13 L CA 1.781 56.672 54.840 0.086 0.000 0.745 13 L CB -0.417 41.656 42.059 0.023 0.000 0.894 13 L HN 0.465 nan 8.230 nan 0.000 0.432 14 Q N -0.954 118.780 119.800 -0.110 0.000 2.061 14 Q HA -0.296 4.044 4.340 -0.000 0.000 0.204 14 Q C 2.172 178.237 176.000 0.109 0.000 0.984 14 Q CA 1.552 57.297 55.803 -0.097 0.000 0.846 14 Q CB -0.235 28.327 28.738 -0.294 0.000 0.902 14 Q HN 0.495 nan 8.270 nan 0.000 0.421 15 Q N -0.018 119.834 119.800 0.087 0.000 2.061 15 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 15 Q C 1.775 177.874 176.000 0.165 0.000 0.984 15 Q CA 1.598 57.459 55.803 0.096 0.000 0.846 15 Q CB -0.305 28.483 28.738 0.084 0.000 0.902 15 Q HN 0.518 nan 8.270 nan 0.000 0.421 16 W N 0.036 121.407 121.300 0.118 0.000 2.358 16 W HA -0.281 4.379 4.660 -0.000 0.000 0.303 16 W C 2.172 178.831 176.519 0.234 0.000 1.208 16 W CA 1.844 59.325 57.345 0.227 0.000 1.274 16 W CB -0.572 29.034 29.460 0.242 0.000 1.138 16 W HN 0.304 nan 8.180 nan 0.000 0.515 17 Y N 1.242 121.865 120.300 0.539 0.000 2.128 17 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 17 Y C 2.536 178.411 175.900 -0.043 0.000 1.154 17 Y CA 2.533 60.812 58.100 0.299 0.000 1.149 17 Y CB -0.635 37.830 38.460 0.009 0.000 0.976 17 Y HN -0.170 nan 8.280 nan 0.000 0.505 18 R N 0.133 120.626 120.500 -0.011 0.000 2.105 18 R HA -0.173 4.166 4.340 -0.000 0.000 0.239 18 R C 2.077 178.185 176.300 -0.320 0.000 1.135 18 R CA 1.990 57.990 56.100 -0.167 0.000 0.967 18 R CB -0.282 29.988 30.300 -0.050 0.000 0.861 18 R HN 0.539 nan 8.270 nan 0.000 0.442 19 E N -1.195 118.748 120.200 -0.428 0.000 2.250 19 E HA -0.033 4.317 4.350 -0.000 0.000 0.192 19 E C 0.923 176.922 176.600 -1.002 0.000 0.986 19 E CA 0.576 56.544 56.400 -0.721 0.000 0.849 19 E CB 0.372 29.539 29.700 -0.888 0.000 0.797 19 E HN 0.488 nan 8.360 nan 0.000 0.482 20 H N -0.533 118.114 119.070 -0.706 0.000 3.233 20 H HA 0.152 4.708 4.556 -0.000 0.000 0.263 20 H C 1.418 176.446 175.328 -0.500 0.000 1.168 20 H CA 0.131 55.705 56.048 -0.790 0.000 1.159 20 H CB 0.468 29.305 29.762 -1.542 0.000 1.593 20 H HN 0.099 nan 8.280 nan 0.000 0.580 21 R N 1.316 121.633 120.500 -0.305 0.000 2.249 21 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 21 R C 1.461 177.767 176.300 0.010 0.000 1.121 21 R CA 1.595 57.636 56.100 -0.099 0.000 0.997 21 R CB -0.498 29.503 30.300 -0.499 0.000 0.867 21 R HN 0.049 nan 8.270 nan 0.000 0.465 22 S N 1.466 117.133 115.700 -0.054 0.000 2.453 22 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 22 S C 1.565 176.200 174.600 0.059 0.000 1.005 22 S CA 0.938 59.139 58.200 0.002 0.000 0.949 22 S CB -0.185 62.994 63.200 -0.036 0.000 0.774 22 S HN 0.706 nan 8.310 nan 0.000 0.510 23 E N 1.681 121.930 120.200 0.082 0.000 2.427 23 E HA 0.026 4.376 4.350 -0.000 0.000 0.196 23 E C 0.320 177.023 176.600 0.172 0.000 1.028 23 E CA 0.136 56.606 56.400 0.117 0.000 0.864 23 E CB -0.506 29.265 29.700 0.119 0.000 0.813 23 E HN 0.505 nan 8.360 nan 0.000 0.514 24 L N 2.987 124.351 121.223 0.235 0.000 2.376 24 L HA 0.148 4.488 4.340 -0.000 0.000 0.250 24 L C 0.220 177.212 176.870 0.203 0.000 1.335 24 L CA -0.172 54.832 54.840 0.274 0.000 1.214 24 L CB -0.787 41.535 42.059 0.439 0.000 1.395 24 L HN 0.092 nan 8.230 nan 0.000 0.424 25 N N 1.895 120.683 118.700 0.147 0.000 2.483 25 N HA 0.233 4.973 4.740 -0.000 0.000 0.267 25 N C 0.871 176.454 175.510 0.122 0.000 0.998 25 N CA -0.439 52.686 53.050 0.125 0.000 0.918 25 N CB 1.626 40.174 38.487 0.101 0.000 1.215 25 N HN 0.386 nan 8.380 nan 0.000 0.500 26 L N 2.727 124.036 121.223 0.143 0.000 2.013 26 L HA -0.175 4.164 4.340 -0.000 0.000 0.212 26 L C 2.623 179.649 176.870 0.260 0.000 1.073 26 L CA 1.310 56.274 54.840 0.206 0.000 0.753 26 L CB -0.264 41.934 42.059 0.232 0.000 0.890 26 L HN 0.572 nan 8.230 nan 0.000 0.432 27 R N -0.058 120.547 120.500 0.174 0.000 2.096 27 R HA -0.229 4.111 4.340 -0.000 0.000 0.240 27 R C 2.523 178.911 176.300 0.147 0.000 1.139 27 R CA 1.923 58.112 56.100 0.148 0.000 0.952 27 R CB -0.229 30.123 30.300 0.088 0.000 0.854 27 R HN 0.278 nan 8.270 nan 0.000 0.436 28 R N 0.569 121.136 120.500 0.111 0.000 2.081 28 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 28 R C 2.319 178.661 176.300 0.070 0.000 1.131 28 R CA 1.318 57.468 56.100 0.083 0.000 0.960 28 R CB -0.274 30.068 30.300 0.070 0.000 0.856 28 R HN 0.211 nan 8.270 nan 0.000 0.436 29 L N -0.240 121.013 121.223 0.051 0.000 2.012 29 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 29 L C 2.316 179.120 176.870 -0.110 0.000 1.073 29 L CA 1.491 56.298 54.840 -0.055 0.000 0.748 29 L CB -0.476 41.491 42.059 -0.152 0.000 0.891 29 L HN 0.187 nan 8.230 nan 0.000 0.431 30 F N 0.159 120.118 119.950 0.016 0.000 2.186 30 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 30 F C 2.267 178.074 175.800 0.012 0.000 1.090 30 F CA 1.161 59.170 58.000 0.014 0.000 1.307 30 F CB -0.292 38.712 39.000 0.006 0.000 1.019 30 F HN 0.103 nan 8.300 nan 0.000 0.489 31 D N -0.121 120.384 120.400 0.175 0.000 2.178 31 D HA -0.107 4.533 4.640 -0.000 0.000 0.202 31 D C 2.167 178.505 176.300 0.064 0.000 0.974 31 D CA 1.263 55.325 54.000 0.102 0.000 0.841 31 D CB -0.277 40.570 40.800 0.079 0.000 0.953 31 D HN 0.248 nan 8.370 nan 0.000 0.478 32 A N -0.266 122.582 122.820 0.045 0.000 2.095 32 A HA 0.014 4.334 4.320 -0.000 0.000 0.212 32 A C 1.002 178.589 177.584 0.006 0.000 1.162 32 A CA 0.195 52.246 52.037 0.024 0.000 0.753 32 A CB 0.125 19.138 19.000 0.021 0.000 0.840 32 A HN 0.071 nan 8.150 nan 0.000 0.468 33 N N -0.228 118.464 118.700 -0.014 0.000 2.682 33 N HA 0.213 4.953 4.740 -0.000 0.000 0.252 33 N C 0.107 175.601 175.510 -0.027 0.000 1.081 33 N CA -0.265 52.757 53.050 -0.048 0.000 0.844 33 N CB 1.109 39.544 38.487 -0.087 0.000 1.167 33 N HN 0.152 nan 8.380 nan 0.000 0.523 34 K N 1.421 121.819 120.400 -0.004 0.000 2.280 34 K HA -0.116 4.204 4.320 -0.000 0.000 0.202 34 K C -0.166 176.449 176.600 0.026 0.000 1.047 34 K CA 1.698 58.005 56.287 0.033 0.000 0.942 34 K CB 0.206 32.721 32.500 0.025 0.000 0.739 34 K HN 0.601 nan 8.250 nan 0.000 0.457 35 D N -1.425 118.928 120.400 -0.077 0.000 2.525 35 D HA 0.025 4.665 4.640 -0.000 0.000 0.229 35 D C 1.120 177.293 176.300 -0.212 0.000 1.202 35 D CA -0.359 53.571 54.000 -0.117 0.000 0.828 35 D CB 0.328 41.017 40.800 -0.186 0.000 1.008 35 D HN 0.064 nan 8.370 nan 0.000 0.493 36 R N -0.158 120.300 120.500 -0.069 0.000 2.096 36 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 36 R C 1.439 177.859 176.300 0.200 0.000 1.127 36 R CA 1.053 57.155 56.100 0.004 0.000 0.968 36 R CB -0.328 29.806 30.300 -0.276 0.000 0.861 36 R HN 0.324 nan 8.270 nan 0.000 0.440 37 F N 1.958 121.999 119.950 0.151 0.000 2.102 37 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 37 F C 1.740 177.597 175.800 0.094 0.000 1.105 37 F CA 1.663 59.763 58.000 0.166 0.000 1.239 37 F CB -0.360 38.735 39.000 0.159 0.000 0.991 37 F HN 0.061 nan 8.300 nan 0.000 0.474 38 N N -0.103 118.615 118.700 0.030 0.000 2.166 38 N HA -0.192 4.548 4.740 -0.000 0.000 0.186 38 N C 1.727 177.208 175.510 -0.048 0.000 1.019 38 N CA 1.779 54.799 53.050 -0.050 0.000 0.856 38 N CB -0.853 37.715 38.487 0.135 0.000 0.993 38 N HN 0.587 nan 8.380 nan 0.000 0.426 39 H N -2.016 116.899 119.070 -0.258 0.000 2.529 39 H HA 0.082 4.638 4.556 -0.000 0.000 0.277 39 H C 0.098 174.965 175.328 -0.768 0.000 0.999 39 H CA 0.333 56.083 56.048 -0.496 0.000 1.256 39 H CB 0.206 29.596 29.762 -0.620 0.000 1.402 39 H HN 0.140 nan 8.280 nan 0.000 0.566 40 F N 1.147 120.908 119.950 -0.315 0.000 2.761 40 F HA 0.206 4.732 4.527 -0.000 0.000 0.367 40 F C -0.073 174.970 175.800 -1.262 0.000 1.386 40 F CA -0.579 56.912 58.000 -0.849 0.000 1.177 40 F CB 0.855 39.460 39.000 -0.657 0.000 1.092 40 F HN -0.061 nan 8.300 nan 0.000 0.517 41 S N 0.008 115.361 115.700 -0.578 0.000 2.570 41 S HA 0.878 5.348 4.470 -0.000 0.000 0.270 41 S C -1.298 173.291 174.600 -0.019 0.000 1.149 41 S CA -0.852 57.162 58.200 -0.309 0.000 0.837 41 S CB 2.103 64.930 63.200 -0.621 0.000 1.124 41 S HN 0.143 nan 8.310 nan 0.000 0.465 42 L N 1.530 122.832 121.223 0.131 0.000 2.381 42 L HA 0.794 5.133 4.340 -0.000 0.000 0.268 42 L C -0.410 176.541 176.870 0.136 0.000 0.997 42 L CA -0.812 54.117 54.840 0.149 0.000 0.818 42 L CB 2.579 44.769 42.059 0.218 0.000 1.310 42 L HN 0.989 nan 8.230 nan 0.000 0.416 43 T N 0.488 115.125 114.554 0.137 0.000 2.809 43 T HA 0.707 5.057 4.350 -0.000 0.000 0.284 43 T C -0.715 174.090 174.700 0.175 0.000 0.992 43 T CA -0.632 61.570 62.100 0.171 0.000 0.957 43 T CB 0.903 69.882 68.868 0.185 0.000 0.942 43 T HN 0.372 nan 8.240 nan 0.000 0.439 44 L N 3.557 124.871 121.223 0.150 0.000 2.313 44 L HA 0.538 4.878 4.340 -0.000 0.000 0.283 44 L C -0.021 176.793 176.870 -0.093 0.000 1.013 44 L CA -1.071 53.844 54.840 0.125 0.000 0.816 44 L CB 1.487 43.640 42.059 0.155 0.000 1.236 44 L HN 0.634 nan 8.230 nan 0.000 0.419 45 N N 1.283 119.884 118.700 -0.164 0.000 2.462 45 N HA 0.121 4.861 4.740 -0.000 0.000 0.242 45 N C 0.762 176.063 175.510 -0.349 0.000 1.010 45 N CA -0.360 52.333 53.050 -0.595 0.000 0.939 45 N CB 1.360 39.531 38.487 -0.526 0.000 1.127 45 N HN 0.672 nan 8.380 nan 0.000 0.509 46 T N 0.298 114.477 114.554 -0.625 0.000 3.129 46 T HA 0.100 4.450 4.350 -0.000 0.000 0.251 46 T C 0.391 174.792 174.700 -0.497 0.000 1.117 46 T CA -0.067 61.487 62.100 -0.909 0.000 1.034 46 T CB -0.186 68.026 68.868 -1.092 0.000 0.968 46 T HN 0.557 nan 8.240 nan 0.000 0.526 47 N N 0.884 119.323 118.700 -0.434 0.000 2.972 47 N HA -0.156 4.584 4.740 -0.000 0.000 0.225 47 N C -0.337 174.663 175.510 -0.851 0.000 0.883 47 N CA 1.703 54.433 53.050 -0.534 0.000 1.010 47 N CB -1.452 36.736 38.487 -0.499 0.000 1.052 47 N HN 0.667 nan 8.380 nan 0.000 0.598 48 H N -0.640 118.165 119.070 -0.443 0.000 2.637 48 H HA 0.570 5.126 4.556 -0.000 0.000 0.245 48 H C 1.150 176.320 175.328 -0.263 0.000 1.190 48 H CA 0.567 56.328 56.048 -0.478 0.000 0.934 48 H CB 0.509 29.628 29.762 -1.071 0.000 1.950 48 H HN 0.460 nan 8.280 nan 0.000 0.614 49 G N 0.585 109.328 108.800 -0.095 0.000 2.465 49 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.681 49 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.681 49 G C -1.740 173.151 174.900 -0.015 0.000 1.340 49 G CA -1.112 44.014 45.100 0.043 0.000 0.884 49 G HN 0.295 nan 8.290 nan 0.000 0.650 50 H N -0.613 118.455 119.070 -0.003 0.000 2.479 50 H HA 0.755 5.311 4.556 -0.000 0.000 0.335 50 H C 0.537 175.909 175.328 0.073 0.000 1.142 50 H CA -0.359 55.695 56.048 0.010 0.000 1.234 50 H CB 1.440 31.222 29.762 0.033 0.000 1.503 50 H HN 0.546 nan 8.280 nan 0.000 0.510 51 I N 3.056 123.720 120.570 0.157 0.000 2.389 51 I HA 0.140 4.309 4.170 -0.000 0.000 0.288 51 I C -0.982 175.260 176.117 0.208 0.000 0.999 51 I CA -0.944 60.476 61.300 0.200 0.000 1.129 51 I CB 1.609 39.683 38.000 0.123 0.000 1.288 51 I HN 0.183 nan 8.210 nan 0.000 0.444 52 L N 8.657 130.021 121.223 0.234 0.000 2.265 52 L HA 0.466 4.805 4.340 -0.000 0.000 0.289 52 L C -0.659 176.363 176.870 0.254 0.000 1.033 52 L CA -0.218 54.761 54.840 0.232 0.000 0.814 52 L CB 1.356 43.561 42.059 0.243 0.000 1.203 52 L HN 0.344 nan 8.230 nan 0.000 0.423 53 V N 4.964 125.022 119.914 0.240 0.000 2.288 53 V HA 0.276 4.396 4.120 -0.000 0.000 0.266 53 V C -0.352 175.931 176.094 0.315 0.000 1.048 53 V CA -0.544 61.922 62.300 0.276 0.000 0.842 53 V CB 0.739 32.706 31.823 0.240 0.000 1.064 53 V HN 0.726 nan 8.190 nan 0.000 0.472 54 D N 4.296 124.881 120.400 0.309 0.000 2.396 54 D HA 0.181 4.821 4.640 -0.000 0.000 0.225 54 D C 0.240 176.719 176.300 0.298 0.000 1.121 54 D CA -0.488 53.666 54.000 0.257 0.000 0.853 54 D CB 0.845 41.863 40.800 0.363 0.000 1.043 54 D HN 0.646 nan 8.370 nan 0.000 0.500 55 Y N 1.473 121.892 120.300 0.198 0.000 2.708 55 Y HA 0.237 4.787 4.550 -0.000 0.000 0.287 55 Y C 1.498 177.515 175.900 0.195 0.000 1.145 55 Y CA -0.310 57.910 58.100 0.200 0.000 1.249 55 Y CB -0.273 38.297 38.460 0.184 0.000 1.152 55 Y HN 0.208 nan 8.280 nan 0.000 0.532 56 S N 0.266 115.995 115.700 0.048 0.000 2.436 56 S HA -0.041 4.428 4.470 -0.000 0.000 0.228 56 S C 1.068 175.797 174.600 0.215 0.000 1.014 56 S CA 0.224 58.467 58.200 0.071 0.000 0.950 56 S CB -0.278 63.099 63.200 0.294 0.000 0.784 56 S HN 0.515 nan 8.310 nan 0.000 0.504 57 K N 1.770 122.341 120.400 0.284 0.000 2.745 57 K HA 0.262 4.582 4.320 -0.000 0.000 0.223 57 K C -0.693 176.023 176.600 0.192 0.000 1.057 57 K CA -0.114 56.337 56.287 0.272 0.000 1.217 57 K CB -0.386 32.184 32.500 0.116 0.000 0.993 57 K HN 0.446 nan 8.250 nan 0.000 0.478 58 N N 0.396 119.200 118.700 0.173 0.000 2.443 58 N HA 0.254 4.994 4.740 -0.000 0.000 0.293 58 N C -0.418 175.217 175.510 0.208 0.000 1.159 58 N CA -0.621 52.586 53.050 0.261 0.000 0.904 58 N CB 1.324 40.013 38.487 0.336 0.000 1.214 58 N HN -0.011 nan 8.380 nan 0.000 0.513 59 L N 2.345 123.792 121.223 0.374 0.000 2.511 59 L HA 0.198 4.538 4.340 -0.000 0.000 0.239 59 L C -0.464 176.679 176.870 0.455 0.000 1.400 59 L CA -0.309 54.766 54.840 0.391 0.000 1.226 59 L CB -1.317 41.007 42.059 0.441 0.000 1.475 59 L HN 0.318 nan 8.230 nan 0.000 0.428 60 V N -2.197 117.791 119.914 0.123 0.000 3.130 60 V HA 0.858 4.978 4.120 -0.000 0.000 0.310 60 V C -0.078 175.890 176.094 -0.210 0.000 1.158 60 V CA -0.483 61.776 62.300 -0.068 0.000 1.029 60 V CB 2.071 33.781 31.823 -0.188 0.000 1.057 60 V HN 0.312 nan 8.190 nan 0.000 0.436 61 T N -1.488 112.979 114.554 -0.145 0.000 2.858 61 T HA 0.567 4.917 4.350 -0.000 0.000 0.285 61 T C 0.623 175.429 174.700 0.176 0.000 1.052 61 T CA 0.091 62.197 62.100 0.010 0.000 1.009 61 T CB 1.946 70.848 68.868 0.057 0.000 1.241 61 T HN 0.729 nan 8.240 nan 0.000 0.542 62 E N 0.242 120.613 120.200 0.284 0.000 2.110 62 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 62 E C 1.426 178.005 176.600 -0.035 0.000 0.988 62 E CA 1.403 57.887 56.400 0.141 0.000 0.804 62 E CB -0.068 29.668 29.700 0.061 0.000 0.745 62 E HN 0.558 nan 8.360 nan 0.000 0.458 63 D N -0.077 120.263 120.400 -0.099 0.000 2.117 63 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 63 D C 2.035 178.074 176.300 -0.436 0.000 0.982 63 D CA 0.748 54.616 54.000 -0.221 0.000 0.828 63 D CB -0.130 40.562 40.800 -0.180 0.000 0.967 63 D HN 0.027 nan 8.370 nan 0.000 0.464 64 V N 1.311 120.858 119.914 -0.613 0.000 2.295 64 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 64 V C 2.494 178.257 176.094 -0.552 0.000 1.049 64 V CA 1.202 62.999 62.300 -0.839 0.000 1.024 64 V CB -0.335 30.874 31.823 -1.024 0.000 0.648 64 V HN 0.204 nan 8.190 nan 0.000 0.447 65 M N -0.439 118.979 119.600 -0.305 0.000 2.117 65 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 65 M C 2.286 178.479 176.300 -0.179 0.000 1.065 65 M CA 1.667 56.859 55.300 -0.179 0.000 1.114 65 M CB -1.378 31.245 32.600 0.039 0.000 1.361 65 M HN 0.317 nan 8.290 nan 0.000 0.408 66 R N 0.281 120.679 120.500 -0.170 0.000 2.081 66 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 66 R C 2.145 178.348 176.300 -0.162 0.000 1.131 66 R CA 1.463 57.476 56.100 -0.145 0.000 0.960 66 R CB -0.099 30.125 30.300 -0.126 0.000 0.856 66 R HN 0.309 nan 8.270 nan 0.000 0.436 67 M N 0.444 119.909 119.600 -0.225 0.000 2.159 67 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 67 M C 2.272 178.470 176.300 -0.170 0.000 1.063 67 M CA 1.523 56.703 55.300 -0.200 0.000 1.110 67 M CB -0.200 32.234 32.600 -0.278 0.000 1.374 67 M HN 0.220 nan 8.290 nan 0.000 0.411 68 L N -0.699 120.388 121.223 -0.228 0.000 2.017 68 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 68 L C 2.446 179.244 176.870 -0.121 0.000 1.073 68 L CA 0.905 55.640 54.840 -0.175 0.000 0.745 68 L CB -0.674 41.241 42.059 -0.240 0.000 0.894 68 L HN 0.105 nan 8.230 nan 0.000 0.432 69 V N -0.172 119.667 119.914 -0.124 0.000 2.332 69 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 69 V C 2.097 178.143 176.094 -0.080 0.000 1.055 69 V CA 1.932 64.174 62.300 -0.098 0.000 1.038 69 V CB -0.553 31.212 31.823 -0.096 0.000 0.651 69 V HN 0.451 nan 8.190 nan 0.000 0.450 70 D N -0.286 120.067 120.400 -0.078 0.000 2.178 70 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 70 D C 1.934 178.211 176.300 -0.039 0.000 0.980 70 D CA 1.069 55.035 54.000 -0.056 0.000 0.842 70 D CB -0.231 40.538 40.800 -0.052 0.000 0.948 70 D HN 0.371 nan 8.370 nan 0.000 0.472 71 L N 0.862 122.064 121.223 -0.036 0.000 2.056 71 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 71 L C 2.119 178.964 176.870 -0.041 0.000 1.078 71 L CA 1.709 56.542 54.840 -0.012 0.000 0.749 71 L CB -0.720 41.349 42.059 0.016 0.000 0.901 71 L HN -0.032 nan 8.230 nan 0.000 0.433 72 A N -0.594 122.189 122.820 -0.061 0.000 1.933 72 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 72 A C 2.294 179.842 177.584 -0.060 0.000 1.175 72 A CA 2.002 53.996 52.037 -0.071 0.000 0.628 72 A CB -0.478 18.480 19.000 -0.070 0.000 0.814 72 A HN 0.528 nan 8.150 nan 0.000 0.444 73 K N -0.519 119.848 120.400 -0.054 0.000 2.001 73 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 73 K C 2.459 179.036 176.600 -0.039 0.000 1.048 73 K CA 1.438 57.696 56.287 -0.050 0.000 0.932 73 K CB -0.302 32.168 32.500 -0.050 0.000 0.715 73 K HN 0.421 nan 8.250 nan 0.000 0.437 74 S N 0.707 116.389 115.700 -0.030 0.000 2.382 74 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 74 S C 1.732 176.318 174.600 -0.023 0.000 1.027 74 S CA 0.979 59.167 58.200 -0.018 0.000 0.991 74 S CB -0.038 63.161 63.200 -0.001 0.000 0.823 74 S HN 0.151 nan 8.310 nan 0.000 0.469 75 R N 0.511 120.989 120.500 -0.037 0.000 2.313 75 R HA 0.159 4.499 4.340 -0.000 0.000 0.199 75 R C 1.503 177.774 176.300 -0.047 0.000 0.958 75 R CA 0.657 56.728 56.100 -0.048 0.000 1.047 75 R CB -1.134 29.118 30.300 -0.080 0.000 0.955 75 R HN 0.560 nan 8.270 nan 0.000 0.481 76 G N 0.930 109.705 108.800 -0.042 0.000 2.225 76 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.264 76 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.264 76 G C 0.889 175.768 174.900 -0.035 0.000 1.060 76 G CA 0.330 45.409 45.100 -0.034 0.000 0.833 76 G HN 0.181 nan 8.290 nan 0.000 0.498 77 V N -0.139 119.746 119.914 -0.049 0.000 2.255 77 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 77 V C 2.681 178.771 176.094 -0.006 0.000 1.051 77 V CA 2.978 65.256 62.300 -0.037 0.000 1.018 77 V CB -0.522 31.281 31.823 -0.034 0.000 0.641 77 V HN 0.699 nan 8.190 nan 0.000 0.445 78 E N 0.251 120.419 120.200 -0.052 0.000 2.038 78 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 78 E C 2.344 178.903 176.600 -0.068 0.000 1.000 78 E CA 1.425 57.764 56.400 -0.101 0.000 0.803 78 E CB -0.439 29.184 29.700 -0.127 0.000 0.750 78 E HN 0.596 nan 8.360 nan 0.000 0.448 79 A N 1.584 124.380 122.820 -0.040 0.000 1.917 79 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 79 A C 2.424 180.032 177.584 0.040 0.000 1.182 79 A CA 2.022 54.050 52.037 -0.016 0.000 0.633 79 A CB -0.809 18.183 19.000 -0.013 0.000 0.819 79 A HN 0.316 nan 8.150 nan 0.000 0.448 80 A N -0.476 122.394 122.820 0.084 0.000 1.902 80 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 80 A C 2.260 180.068 177.584 0.374 0.000 1.181 80 A CA 1.777 53.938 52.037 0.207 0.000 0.623 80 A CB -0.538 18.555 19.000 0.156 0.000 0.818 80 A HN 0.586 nan 8.150 nan 0.000 0.443 81 R N -0.430 120.271 120.500 0.334 0.000 2.083 81 R HA -0.176 4.163 4.340 -0.000 0.000 0.237 81 R C 1.859 178.228 176.300 0.114 0.000 1.137 81 R CA 1.771 58.033 56.100 0.270 0.000 0.951 81 R CB -0.258 29.960 30.300 -0.136 0.000 0.851 81 R HN 0.449 nan 8.270 nan 0.000 0.434 82 E N 0.564 120.760 120.200 -0.006 0.000 2.077 82 E HA -0.185 4.164 4.350 -0.000 0.000 0.193 82 E C 2.113 178.726 176.600 0.021 0.000 0.989 82 E CA 1.115 57.490 56.400 -0.042 0.000 0.800 82 E CB -0.230 29.419 29.700 -0.086 0.000 0.746 82 E HN 0.397 nan 8.360 nan 0.000 0.452 83 R N 0.129 120.658 120.500 0.048 0.000 2.091 83 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 83 R C 2.477 178.778 176.300 0.001 0.000 1.136 83 R CA 1.654 57.777 56.100 0.039 0.000 0.959 83 R CB -0.338 30.012 30.300 0.084 0.000 0.856 83 R HN 0.194 nan 8.270 nan 0.000 0.437 84 M N -0.206 119.398 119.600 0.006 0.000 2.067 84 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 84 M C 1.534 177.681 176.300 -0.256 0.000 1.069 84 M CA 1.863 57.048 55.300 -0.191 0.000 1.117 84 M CB -0.117 32.246 32.600 -0.394 0.000 1.334 84 M HN 0.031 nan 8.290 nan 0.000 0.407 85 F N 0.723 120.516 119.950 -0.263 0.000 2.293 85 F HA -0.108 4.418 4.527 -0.000 0.000 0.300 85 F C 1.724 177.389 175.800 -0.226 0.000 1.086 85 F CA 1.566 59.411 58.000 -0.257 0.000 1.375 85 F CB -0.575 38.278 39.000 -0.245 0.000 1.045 85 F HN 0.344 nan 8.300 nan 0.000 0.516 86 N N -0.788 117.899 118.700 -0.022 0.000 2.461 86 N HA 0.125 4.865 4.740 -0.000 0.000 0.188 86 N C 1.265 176.696 175.510 -0.131 0.000 1.134 86 N CA 0.488 53.494 53.050 -0.073 0.000 0.878 86 N CB 0.086 38.542 38.487 -0.053 0.000 0.972 86 N HN 0.288 nan 8.380 nan 0.000 0.456 87 G N 1.149 109.836 108.800 -0.189 0.000 2.136 87 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.242 87 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.242 87 G C -0.230 174.579 174.900 -0.151 0.000 0.989 87 G CA -0.186 44.770 45.100 -0.240 0.000 0.682 87 G HN 0.374 nan 8.290 nan 0.000 0.522 88 E N 0.157 120.301 120.200 -0.094 0.000 2.392 88 E HA 0.302 4.652 4.350 -0.000 0.000 0.259 88 E C 0.366 176.958 176.600 -0.014 0.000 1.108 88 E CA -0.351 56.028 56.400 -0.035 0.000 0.916 88 E CB 0.461 30.160 29.700 -0.002 0.000 0.989 88 E HN 0.084 nan 8.360 nan 0.000 0.432 89 K N 2.876 123.296 120.400 0.034 0.000 2.502 89 K HA 0.080 4.400 4.320 -0.000 0.000 0.244 89 K C 1.012 177.688 176.600 0.127 0.000 1.249 89 K CA 0.139 56.469 56.287 0.072 0.000 1.193 89 K CB -0.628 31.928 32.500 0.093 0.000 1.674 89 K HN 0.528 nan 8.250 nan 0.000 0.302 90 I N -2.379 118.259 120.570 0.114 0.000 2.830 90 I HA -0.078 4.092 4.170 -0.000 0.000 0.263 90 I C 0.745 177.015 176.117 0.256 0.000 1.230 90 I CA 0.373 61.806 61.300 0.221 0.000 1.480 90 I CB -0.176 37.954 38.000 0.217 0.000 1.095 90 I HN 0.016 nan 8.210 nan 0.000 0.455 91 N N 1.897 120.685 118.700 0.146 0.000 2.671 91 N HA -0.048 4.692 4.740 -0.000 0.000 0.274 91 N C 0.666 176.221 175.510 0.075 0.000 1.188 91 N CA -0.251 52.853 53.050 0.090 0.000 1.065 91 N CB -0.108 38.453 38.487 0.122 0.000 1.415 91 N HN 0.542 nan 8.380 nan 0.000 0.511 92 Y N 0.450 120.874 120.300 0.205 0.000 2.373 92 Y HA -0.003 4.546 4.550 -0.000 0.000 0.293 92 Y C 2.198 178.211 175.900 0.187 0.000 1.129 92 Y CA 1.102 59.303 58.100 0.168 0.000 1.226 92 Y CB -1.114 37.430 38.460 0.140 0.000 1.000 92 Y HN 0.305 nan 8.280 nan 0.000 0.549 93 T N -1.936 112.722 114.554 0.174 0.000 2.951 93 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 93 T C 1.254 176.174 174.700 0.366 0.000 1.073 93 T CA 1.396 63.698 62.100 0.336 0.000 1.134 93 T CB -0.290 68.853 68.868 0.458 0.000 0.884 93 T HN 0.585 nan 8.240 nan 0.000 0.479 94 E N 0.703 121.070 120.200 0.279 0.000 2.460 94 E HA 0.346 4.696 4.350 -0.000 0.000 0.200 94 E C 1.120 177.834 176.600 0.190 0.000 1.011 94 E CA 0.003 56.555 56.400 0.253 0.000 0.912 94 E CB 0.278 30.070 29.700 0.154 0.000 0.953 94 E HN 0.611 nan 8.360 nan 0.000 0.494 95 G N 2.468 111.378 108.800 0.183 0.000 2.298 95 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.287 95 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.287 95 G C -0.216 174.769 174.900 0.142 0.000 1.075 95 G CA 0.355 45.551 45.100 0.160 0.000 0.960 95 G HN 0.091 nan 8.290 nan 0.000 0.502 96 R N -0.693 119.892 120.500 0.140 0.000 2.795 96 R HA 0.778 5.118 4.340 -0.000 0.000 0.275 96 R C 0.508 176.880 176.300 0.119 0.000 0.981 96 R CA -0.299 55.889 56.100 0.145 0.000 0.917 96 R CB 1.615 32.008 30.300 0.155 0.000 1.202 96 R HN 0.591 nan 8.270 nan 0.000 0.469 97 A N 1.100 123.998 122.820 0.131 0.000 2.296 97 A HA 0.471 4.791 4.320 -0.000 0.000 0.264 97 A C -0.444 177.159 177.584 0.031 0.000 1.097 97 A CA -0.296 51.758 52.037 0.029 0.000 0.811 97 A CB 0.695 19.650 19.000 -0.075 0.000 1.072 97 A HN 0.366 nan 8.150 nan 0.000 0.495 98 V N 1.435 121.247 119.914 -0.171 0.000 2.385 98 V HA 0.293 4.413 4.120 -0.000 0.000 0.277 98 V C -0.438 175.388 176.094 -0.447 0.000 1.012 98 V CA 0.147 62.247 62.300 -0.334 0.000 0.832 98 V CB 0.500 31.841 31.823 -0.803 0.000 1.028 98 V HN 0.693 nan 8.190 nan 0.000 0.436 99 L N 4.788 125.888 121.223 -0.206 0.000 3.059 99 L HA 0.321 4.661 4.340 -0.000 0.000 0.298 99 L C 1.764 178.583 176.870 -0.086 0.000 1.304 99 L CA -0.317 54.303 54.840 -0.366 0.000 0.855 99 L CB 0.186 41.825 42.059 -0.700 0.000 1.266 99 L HN 0.782 nan 8.230 nan 0.000 0.572 100 H N -0.572 118.493 119.070 -0.009 0.000 2.489 100 H HA -0.095 4.461 4.556 -0.000 0.000 0.293 100 H C 1.914 177.160 175.328 -0.137 0.000 1.066 100 H CA 1.606 57.693 56.048 0.065 0.000 1.305 100 H CB -0.544 29.286 29.762 0.114 0.000 1.386 100 H HN 0.455 nan 8.280 nan 0.000 0.551 101 V N -0.545 119.065 119.914 -0.506 0.000 2.626 101 V HA 0.003 4.123 4.120 -0.000 0.000 0.252 101 V C 2.755 178.702 176.094 -0.244 0.000 1.067 101 V CA 1.226 63.272 62.300 -0.424 0.000 1.081 101 V CB -1.086 30.276 31.823 -0.769 0.000 0.686 101 V HN 0.475 nan 8.190 nan 0.000 0.468 102 A N 0.757 123.433 122.820 -0.241 0.000 1.968 102 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 102 A C 2.181 179.763 177.584 -0.003 0.000 1.169 102 A CA 1.658 53.590 52.037 -0.175 0.000 0.638 102 A CB -0.564 18.209 19.000 -0.378 0.000 0.812 102 A HN 0.576 nan 8.150 nan 0.000 0.446 103 L N -0.144 121.161 121.223 0.136 0.000 2.083 103 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 103 L C 2.337 179.291 176.870 0.139 0.000 1.083 103 L CA 1.564 56.560 54.840 0.260 0.000 0.752 103 L CB -0.402 41.900 42.059 0.406 0.000 0.899 103 L HN 0.530 nan 8.230 nan 0.000 0.433 104 R N -0.373 120.127 120.500 0.000 0.000 2.552 104 R HA 0.080 4.420 4.340 -0.000 0.000 0.314 104 R C 0.212 176.415 176.300 -0.163 0.000 1.041 104 R CA -0.174 55.880 56.100 -0.076 0.000 1.076 104 R CB -0.771 29.419 30.300 -0.184 0.000 1.290 104 R HN 0.056 nan 8.270 nan 0.000 0.563 105 N N 2.390 120.997 118.700 -0.154 0.000 2.892 105 N HA -0.006 4.734 4.740 -0.000 0.000 0.300 105 N C 0.560 175.805 175.510 -0.443 0.000 1.211 105 N CA -0.151 52.728 53.050 -0.285 0.000 1.158 105 N CB 0.415 38.838 38.487 -0.107 0.000 1.455 105 N HN 0.063 nan 8.380 nan 0.000 0.524 106 R N 0.303 120.321 120.500 -0.804 0.000 2.159 106 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 106 R C 1.907 178.072 176.300 -0.225 0.000 1.131 106 R CA 1.172 57.030 56.100 -0.403 0.000 0.982 106 R CB -1.209 28.919 30.300 -0.286 0.000 0.868 106 R HN 0.644 nan 8.270 nan 0.000 0.453 107 S N 0.793 116.349 115.700 -0.239 0.000 2.423 107 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 107 S C 0.727 175.318 174.600 -0.015 0.000 1.014 107 S CA 0.770 58.968 58.200 -0.003 0.000 0.965 107 S CB -0.113 63.166 63.200 0.132 0.000 0.785 107 S HN 0.325 nan 8.310 nan 0.000 0.495 108 N N 0.480 119.150 118.700 -0.050 0.000 2.828 108 N HA -0.124 4.616 4.740 -0.000 0.000 0.248 108 N C -0.688 174.808 175.510 -0.023 0.000 1.044 108 N CA 1.350 54.382 53.050 -0.031 0.000 0.851 108 N CB -2.470 36.010 38.487 -0.011 0.000 1.136 108 N HN 0.560 nan 8.380 nan 0.000 0.572 109 T N 2.572 117.119 114.554 -0.012 0.000 2.905 109 T HA 0.140 4.489 4.350 -0.000 0.000 0.299 109 T C -2.138 172.539 174.700 -0.039 0.000 1.024 109 T CA -0.237 61.854 62.100 -0.016 0.000 1.151 109 T CB 0.708 69.576 68.868 -0.000 0.000 0.987 109 T HN 0.039 nan 8.240 nan 0.000 0.535 110 P HA 0.226 nan 4.420 nan 0.000 0.266 110 P C -0.555 176.690 177.300 -0.091 0.000 1.195 110 P CA 0.104 63.163 63.100 -0.069 0.000 0.768 110 P CB 0.320 31.985 31.700 -0.059 0.000 0.838 111 I N 3.445 123.934 120.570 -0.136 0.000 2.468 111 I HA 0.285 4.455 4.170 -0.000 0.000 0.285 111 I C -0.324 175.662 176.117 -0.219 0.000 1.039 111 I CA -0.622 60.568 61.300 -0.183 0.000 1.074 111 I CB 1.215 39.066 38.000 -0.248 0.000 1.228 111 I HN 0.040 nan 8.210 nan 0.000 0.436 112 L N 6.741 127.854 121.223 -0.183 0.000 2.322 112 L HA 0.710 5.050 4.340 -0.000 0.000 0.279 112 L C -0.357 176.400 176.870 -0.188 0.000 1.036 112 L CA -1.042 53.700 54.840 -0.165 0.000 0.807 112 L CB 1.968 43.964 42.059 -0.106 0.000 1.226 112 L HN 0.344 nan 8.230 nan 0.000 0.433 113 V N 2.003 121.813 119.914 -0.174 0.000 2.483 113 V HA 0.394 4.514 4.120 -0.000 0.000 0.297 113 V C -0.564 175.494 176.094 -0.059 0.000 1.027 113 V CA -0.219 62.000 62.300 -0.136 0.000 0.855 113 V CB 1.406 33.120 31.823 -0.181 0.000 0.995 113 V HN 0.896 nan 8.190 nan 0.000 0.424 114 D N 4.720 125.099 120.400 -0.035 0.000 2.800 114 D HA -0.171 4.469 4.640 -0.000 0.000 0.232 114 D C 1.168 177.457 176.300 -0.018 0.000 1.137 114 D CA 1.866 55.859 54.000 -0.011 0.000 0.718 114 D CB -1.290 39.518 40.800 0.014 0.000 1.084 114 D HN 1.855 nan 8.370 nan 0.000 0.432 115 G N -0.159 108.620 108.800 -0.035 0.000 2.184 115 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.264 115 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.264 115 G C 0.314 175.190 174.900 -0.039 0.000 0.975 115 G CA 0.899 45.978 45.100 -0.034 0.000 0.642 115 G HN 0.634 nan 8.290 nan 0.000 0.536 116 K N 0.770 121.143 120.400 -0.045 0.000 2.244 116 K HA 0.459 4.779 4.320 -0.000 0.000 0.260 116 K C -0.827 175.725 176.600 -0.081 0.000 0.951 116 K CA -0.827 55.432 56.287 -0.046 0.000 0.826 116 K CB 0.898 33.384 32.500 -0.023 0.000 1.108 116 K HN -0.002 nan 8.250 nan 0.000 0.433 117 D N 3.548 123.902 120.400 -0.077 0.000 2.401 117 D HA -0.048 4.592 4.640 -0.000 0.000 0.254 117 D C 1.094 177.319 176.300 -0.125 0.000 1.192 117 D CA -0.146 53.791 54.000 -0.104 0.000 0.885 117 D CB 1.329 42.084 40.800 -0.075 0.000 1.147 117 D HN 0.359 nan 8.370 nan 0.000 0.478 118 V N 2.311 122.104 119.914 -0.201 0.000 3.306 118 V HA -0.099 4.021 4.120 -0.000 0.000 0.264 118 V C 1.936 177.918 176.094 -0.186 0.000 1.149 118 V CA 0.366 62.526 62.300 -0.234 0.000 1.143 118 V CB -0.447 31.105 31.823 -0.451 0.000 0.767 118 V HN 0.436 nan 8.190 nan 0.000 0.476 119 M N 0.835 120.354 119.600 -0.136 0.000 2.117 119 M HA 0.039 4.519 4.480 -0.000 0.000 0.262 119 M C 0.228 176.513 176.300 -0.024 0.000 1.065 119 M CA 1.539 56.794 55.300 -0.076 0.000 1.114 119 M CB -2.616 29.947 32.600 -0.061 0.000 1.361 119 M HN 0.335 nan 8.290 nan 0.000 0.408 120 P HA -0.155 nan 4.420 nan 0.000 0.216 120 P C 1.478 178.810 177.300 0.054 0.000 1.153 120 P CA 1.243 64.356 63.100 0.022 0.000 0.858 120 P CB -0.086 31.623 31.700 0.014 0.000 0.789 121 E N -0.701 119.513 120.200 0.024 0.000 2.107 121 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 121 E C 2.150 178.876 176.600 0.211 0.000 0.982 121 E CA 0.699 57.167 56.400 0.113 0.000 0.809 121 E CB -1.019 28.711 29.700 0.049 0.000 0.756 121 E HN 0.048 nan 8.360 nan 0.000 0.459 122 V N 2.014 121.944 119.914 0.027 0.000 2.255 122 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 122 V C 1.828 178.102 176.094 0.299 0.000 1.051 122 V CA 2.220 64.654 62.300 0.223 0.000 1.018 122 V CB -0.702 31.197 31.823 0.126 0.000 0.641 122 V HN 0.293 nan 8.190 nan 0.000 0.445 123 N N -0.450 118.364 118.700 0.189 0.000 2.244 123 N HA -0.187 4.552 4.740 -0.000 0.000 0.183 123 N C 1.898 177.522 175.510 0.190 0.000 1.016 123 N CA 1.088 54.249 53.050 0.185 0.000 0.866 123 N CB -0.178 38.382 38.487 0.121 0.000 0.980 123 N HN 0.473 nan 8.380 nan 0.000 0.430 124 K N 1.132 121.642 120.400 0.183 0.000 2.026 124 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 124 K C 1.729 178.445 176.600 0.193 0.000 1.048 124 K CA 1.072 57.457 56.287 0.162 0.000 0.929 124 K CB -0.041 32.550 32.500 0.151 0.000 0.713 124 K HN -0.033 nan 8.250 nan 0.000 0.439 125 V N 1.808 121.891 119.914 0.282 0.000 2.343 125 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 125 V C 2.356 178.627 176.094 0.296 0.000 1.051 125 V CA 1.552 64.027 62.300 0.292 0.000 1.036 125 V CB -0.373 31.673 31.823 0.371 0.000 0.654 125 V HN 0.326 nan 8.190 nan 0.000 0.451 126 L N -0.187 121.236 121.223 0.334 0.000 2.042 126 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 126 L C 2.398 179.363 176.870 0.158 0.000 1.076 126 L CA 1.674 56.744 54.840 0.384 0.000 0.749 126 L CB -0.727 41.623 42.059 0.485 0.000 0.893 126 L HN 0.344 nan 8.230 nan 0.000 0.432 127 D N -0.120 120.349 120.400 0.115 0.000 2.117 127 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 127 D C 2.113 178.408 176.300 -0.008 0.000 0.987 127 D CA 1.134 55.136 54.000 0.003 0.000 0.829 127 D CB -0.068 40.762 40.800 0.051 0.000 0.961 127 D HN 0.216 nan 8.370 nan 0.000 0.460 128 K N 0.076 120.528 120.400 0.086 0.000 2.097 128 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 128 K C 2.150 178.898 176.600 0.248 0.000 1.049 128 K CA 0.824 57.190 56.287 0.132 0.000 0.933 128 K CB -0.046 32.509 32.500 0.092 0.000 0.717 128 K HN 0.086 nan 8.250 nan 0.000 0.442 129 M N 0.639 120.365 119.600 0.211 0.000 2.117 129 M HA -0.175 4.305 4.480 -0.000 0.000 0.262 129 M C 2.341 178.573 176.300 -0.115 0.000 1.065 129 M CA 1.651 57.020 55.300 0.114 0.000 1.114 129 M CB -0.210 32.467 32.600 0.128 0.000 1.361 129 M HN 0.085 nan 8.290 nan 0.000 0.408 130 K N -0.216 119.846 120.400 -0.563 0.000 2.026 130 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 130 K C 2.198 178.645 176.600 -0.255 0.000 1.048 130 K CA 1.859 57.633 56.287 -0.854 0.000 0.929 130 K CB -0.192 31.579 32.500 -1.214 0.000 0.713 130 K HN 0.185 nan 8.250 nan 0.000 0.439 131 S N -0.039 115.599 115.700 -0.103 0.000 2.353 131 S HA -0.203 4.267 4.470 -0.000 0.000 0.222 131 S C 1.802 176.458 174.600 0.093 0.000 1.035 131 S CA 1.368 59.581 58.200 0.022 0.000 1.025 131 S CB -0.556 62.690 63.200 0.077 0.000 0.902 131 S HN 0.458 nan 8.310 nan 0.000 0.440 132 F N 1.806 121.773 119.950 0.028 0.000 2.095 132 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 132 F C 2.576 178.333 175.800 -0.072 0.000 1.104 132 F CA 1.596 59.609 58.000 0.021 0.000 1.232 132 F CB -0.989 38.060 39.000 0.082 0.000 0.987 132 F HN 0.335 nan 8.300 nan 0.000 0.475 133 C N 0.113 119.371 119.300 -0.070 0.000 2.429 133 C HA -0.183 4.277 4.460 -0.000 0.000 0.277 133 C C 2.787 177.697 174.990 -0.133 0.000 1.262 133 C CA 1.097 60.034 59.018 -0.135 0.000 1.733 133 C CB -1.118 26.625 27.740 0.005 0.000 2.010 133 C HN 0.544 nan 8.230 nan 0.000 0.483 134 Q N 1.094 120.849 119.800 -0.075 0.000 2.030 134 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 134 Q C 2.399 178.361 176.000 -0.062 0.000 0.986 134 Q CA 1.736 57.514 55.803 -0.043 0.000 0.843 134 Q CB -0.361 28.367 28.738 -0.016 0.000 0.904 134 Q HN 0.637 nan 8.270 nan 0.000 0.420 135 R N -0.731 119.724 120.500 -0.075 0.000 2.091 135 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 135 R C 2.429 178.684 176.300 -0.076 0.000 1.136 135 R CA 1.576 57.660 56.100 -0.027 0.000 0.959 135 R CB -0.297 30.054 30.300 0.084 0.000 0.856 135 R HN 0.118 nan 8.270 nan 0.000 0.437 136 V N 0.631 120.359 119.914 -0.310 0.000 2.323 136 V HA -0.178 3.942 4.120 -0.000 0.000 0.244 136 V C 2.225 178.227 176.094 -0.153 0.000 1.041 136 V CA 1.597 63.704 62.300 -0.322 0.000 1.025 136 V CB -0.435 30.983 31.823 -0.676 0.000 0.656 136 V HN 0.257 nan 8.190 nan 0.000 0.451 137 R N 0.957 121.375 120.500 -0.137 0.000 2.096 137 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 137 R C 2.496 178.777 176.300 -0.031 0.000 1.127 137 R CA 1.666 57.726 56.100 -0.067 0.000 0.968 137 R CB -0.468 29.803 30.300 -0.047 0.000 0.861 137 R HN 0.670 nan 8.270 nan 0.000 0.440 138 S N -1.051 114.634 115.700 -0.025 0.000 2.522 138 S HA 0.059 4.529 4.470 -0.000 0.000 0.227 138 S C 1.492 176.096 174.600 0.007 0.000 0.986 138 S CA 0.655 58.852 58.200 -0.004 0.000 0.929 138 S CB 0.512 63.713 63.200 0.002 0.000 0.769 138 S HN 0.522 nan 8.310 nan 0.000 0.529 139 G N 1.270 110.077 108.800 0.012 0.000 2.175 139 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 139 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 139 G C 0.505 175.431 174.900 0.042 0.000 0.982 139 G CA 0.566 45.684 45.100 0.030 0.000 0.641 139 G HN 0.573 nan 8.290 nan 0.000 0.527 140 D N -0.532 119.895 120.400 0.045 0.000 2.097 140 D HA -0.089 4.551 4.640 -0.000 0.000 0.195 140 D C 1.083 177.421 176.300 0.063 0.000 0.989 140 D CA 0.790 54.816 54.000 0.044 0.000 0.827 140 D CB -0.142 40.686 40.800 0.046 0.000 0.966 140 D HN 0.407 nan 8.370 nan 0.000 0.456 141 W N 2.278 123.527 121.300 -0.086 0.000 2.368 141 W HA 0.199 4.859 4.660 -0.000 0.000 0.316 141 W C -0.454 176.023 176.519 -0.069 0.000 1.375 141 W CA -0.164 57.128 57.345 -0.089 0.000 1.261 141 W CB 0.350 29.706 29.460 -0.173 0.000 1.298 141 W HN -0.154 nan 8.180 nan 0.000 0.539 142 K N 4.441 124.730 120.400 -0.184 0.000 2.203 142 K HA 0.498 4.818 4.320 -0.000 0.000 0.251 142 K C 0.486 177.043 176.600 -0.070 0.000 0.944 142 K CA -0.641 55.611 56.287 -0.057 0.000 0.829 142 K CB 1.515 33.969 32.500 -0.077 0.000 1.125 142 K HN 0.597 nan 8.250 nan 0.000 0.430 143 G N 0.361 109.199 108.800 0.063 0.000 2.611 143 G HA2 0.024 3.984 3.960 -0.000 0.000 0.273 143 G HA3 0.024 3.984 3.960 -0.000 0.000 0.273 143 G C 0.672 175.757 174.900 0.307 0.000 1.305 143 G CA -0.162 45.031 45.100 0.154 0.000 1.010 143 G HN 0.745 nan 8.290 nan 0.000 0.509 144 Y N -2.087 118.559 120.300 0.577 0.000 2.574 144 Y HA 0.027 4.576 4.550 -0.000 0.000 0.294 144 Y C 2.086 178.094 175.900 0.180 0.000 1.142 144 Y CA 1.329 59.633 58.100 0.341 0.000 1.314 144 Y CB -0.172 38.541 38.460 0.422 0.000 0.991 144 Y HN 0.360 nan 8.280 nan 0.000 0.555 145 T N -3.765 110.551 114.554 -0.396 0.000 3.129 145 T HA 0.514 4.864 4.350 -0.000 0.000 0.267 145 T C 1.361 175.971 174.700 -0.149 0.000 1.018 145 T CA 0.113 61.983 62.100 -0.382 0.000 0.903 145 T CB 0.055 68.570 68.868 -0.588 0.000 1.067 145 T HN 0.811 nan 8.240 nan 0.000 0.549 146 G N 1.659 110.419 108.800 -0.067 0.000 2.157 146 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.239 146 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.239 146 G C -0.053 174.840 174.900 -0.012 0.000 0.982 146 G CA -0.194 44.884 45.100 -0.035 0.000 0.650 146 G HN 0.604 nan 8.290 nan 0.000 0.527 147 K N 1.501 121.906 120.400 0.010 0.000 2.118 147 K HA 0.596 4.916 4.320 -0.000 0.000 0.264 147 K C 1.001 177.643 176.600 0.070 0.000 1.000 147 K CA 0.225 56.535 56.287 0.038 0.000 0.929 147 K CB 0.884 33.415 32.500 0.051 0.000 1.021 147 K HN 0.502 nan 8.250 nan 0.000 0.463 148 T N -1.728 112.864 114.554 0.063 0.000 2.849 148 T HA 0.401 4.751 4.350 -0.000 0.000 0.284 148 T C 0.696 175.450 174.700 0.090 0.000 1.004 148 T CA -0.790 61.354 62.100 0.074 0.000 1.021 148 T CB 0.555 69.453 68.868 0.050 0.000 1.013 148 T HN 0.276 nan 8.240 nan 0.000 0.527 149 I N 2.576 123.195 120.570 0.083 0.000 2.331 149 I HA 0.211 4.381 4.170 -0.000 0.000 0.292 149 I C 1.514 177.657 176.117 0.042 0.000 0.998 149 I CA -0.320 61.021 61.300 0.069 0.000 1.267 149 I CB 1.508 39.525 38.000 0.028 0.000 1.386 149 I HN 1.090 nan 8.210 nan 0.000 0.476 150 T N 0.387 114.977 114.554 0.061 0.000 2.971 150 T HA 0.248 4.598 4.350 -0.000 0.000 0.252 150 T C 0.133 174.884 174.700 0.084 0.000 1.022 150 T CA -0.136 62.005 62.100 0.068 0.000 0.980 150 T CB 0.150 69.071 68.868 0.087 0.000 1.044 150 T HN 0.477 nan 8.240 nan 0.000 0.501 151 D N 0.326 120.761 120.400 0.058 0.000 2.896 151 D HA 0.607 5.247 4.640 -0.000 0.000 0.241 151 D C -1.563 174.698 176.300 -0.065 0.000 1.188 151 D CA -0.477 53.571 54.000 0.081 0.000 0.879 151 D CB 2.771 43.623 40.800 0.086 0.000 1.553 151 D HN 0.006 nan 8.370 nan 0.000 0.515 152 V N 2.888 122.772 119.914 -0.050 0.000 2.448 152 V HA 0.514 4.634 4.120 -0.000 0.000 0.295 152 V C -0.719 175.238 176.094 -0.227 0.000 1.025 152 V CA -0.627 61.557 62.300 -0.193 0.000 0.859 152 V CB 1.389 33.112 31.823 -0.168 0.000 0.988 152 V HN 0.436 nan 8.190 nan 0.000 0.431 153 I N 4.290 124.614 120.570 -0.411 0.000 2.411 153 I HA 0.370 4.540 4.170 -0.000 0.000 0.284 153 I C -0.074 175.865 176.117 -0.296 0.000 1.012 153 I CA -0.244 60.827 61.300 -0.381 0.000 1.119 153 I CB 1.480 39.151 38.000 -0.547 0.000 1.261 153 I HN 0.535 nan 8.210 nan 0.000 0.448 154 N N 6.512 124.984 118.700 -0.380 0.000 2.444 154 N HA 0.546 5.286 4.740 -0.000 0.000 0.271 154 N C -1.077 174.362 175.510 -0.118 0.000 1.069 154 N CA -0.132 52.764 53.050 -0.256 0.000 0.965 154 N CB 0.763 39.046 38.487 -0.340 0.000 1.092 154 N HN 0.472 nan 8.380 nan 0.000 0.476 155 I N 2.709 123.257 120.570 -0.038 0.000 2.382 155 I HA 0.612 4.782 4.170 -0.000 0.000 0.286 155 I C 0.541 176.648 176.117 -0.017 0.000 1.002 155 I CA -0.589 60.701 61.300 -0.017 0.000 1.135 155 I CB 1.556 39.560 38.000 0.006 0.000 1.288 155 I HN 0.606 nan 8.210 nan 0.000 0.448 156 G N 6.355 115.153 108.800 -0.003 0.000 2.523 156 G HA2 0.628 4.588 3.960 -0.000 0.000 0.291 156 G HA3 0.628 4.588 3.960 -0.000 0.000 0.291 156 G C -1.467 173.434 174.900 0.003 0.000 1.450 156 G CA -0.666 44.430 45.100 -0.008 0.000 0.790 156 G HN 0.645 nan 8.290 nan 0.000 0.496 157 I N -1.700 118.864 120.570 -0.009 0.000 2.957 157 I HA 0.875 5.045 4.170 -0.000 0.000 0.310 157 I C 1.109 177.209 176.117 -0.028 0.000 1.063 157 I CA -0.170 61.125 61.300 -0.009 0.000 1.033 157 I CB 1.824 39.818 38.000 -0.011 0.000 1.230 157 I HN 1.758 nan 8.210 nan 0.000 0.447 158 G N 2.844 111.620 108.800 -0.040 0.000 2.660 158 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.321 158 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.321 158 G C 0.912 175.755 174.900 -0.095 0.000 1.246 158 G CA 0.832 45.888 45.100 -0.073 0.000 1.000 158 G HN 1.471 nan 8.290 nan 0.000 0.550 159 G N -0.664 108.072 108.800 -0.106 0.000 2.498 159 G HA2 0.133 4.093 3.960 -0.000 0.000 0.219 159 G HA3 0.133 4.093 3.960 -0.000 0.000 0.219 159 G C 1.867 176.705 174.900 -0.104 0.000 1.119 159 G CA 1.833 46.859 45.100 -0.123 0.000 0.766 159 G HN 1.061 nan 8.290 nan 0.000 0.552 160 S N -0.406 115.248 115.700 -0.076 0.000 2.603 160 S HA 0.073 4.543 4.470 -0.000 0.000 0.220 160 S C 1.431 176.010 174.600 -0.035 0.000 0.967 160 S CA 1.043 59.202 58.200 -0.070 0.000 0.920 160 S CB 0.175 63.352 63.200 -0.038 0.000 0.773 160 S HN 0.666 nan 8.310 nan 0.000 0.529 161 D N 0.512 120.889 120.400 -0.039 0.000 3.099 161 D HA 0.193 4.833 4.640 -0.000 0.000 0.291 161 D C 1.655 177.882 176.300 -0.121 0.000 1.209 161 D CA -0.090 53.901 54.000 -0.014 0.000 1.032 161 D CB -0.360 40.450 40.800 0.018 0.000 1.324 161 D HN 0.116 nan 8.370 nan 0.000 0.440 162 L N 0.547 121.707 121.223 -0.105 0.000 2.042 162 L HA 0.040 4.380 4.340 -0.000 0.000 0.210 162 L C 2.421 179.233 176.870 -0.096 0.000 1.076 162 L CA 1.737 56.517 54.840 -0.101 0.000 0.749 162 L CB -0.532 41.476 42.059 -0.085 0.000 0.893 162 L HN 0.290 nan 8.230 nan 0.000 0.432 163 G N -0.105 108.662 108.800 -0.055 0.000 2.434 163 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.214 163 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.214 163 G C -0.780 173.887 174.900 -0.387 0.000 1.202 163 G CA 0.646 45.578 45.100 -0.281 0.000 0.788 163 G HN 0.295 nan 8.290 nan 0.000 0.539 164 P HA -0.102 nan 4.420 nan 0.000 0.216 164 P C 2.081 179.045 177.300 -0.560 0.000 1.153 164 P CA 0.671 63.606 63.100 -0.275 0.000 0.858 164 P CB -0.113 31.559 31.700 -0.047 0.000 0.789 165 L N -1.644 119.044 121.223 -0.891 0.000 2.027 165 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 165 L C 2.300 178.866 176.870 -0.507 0.000 1.074 165 L CA 1.706 55.908 54.840 -1.063 0.000 0.745 165 L CB -0.599 40.957 42.059 -0.838 0.000 0.898 165 L HN -0.044 nan 8.230 nan 0.000 0.433 166 M N -0.598 118.763 119.600 -0.398 0.000 2.117 166 M HA -0.162 4.317 4.480 -0.000 0.000 0.262 166 M C 2.097 178.254 176.300 -0.238 0.000 1.065 166 M CA 1.952 57.072 55.300 -0.301 0.000 1.114 166 M CB -0.493 31.897 32.600 -0.351 0.000 1.361 166 M HN 0.225 nan 8.290 nan 0.000 0.408 167 V N 0.696 120.436 119.914 -0.289 0.000 2.379 167 V HA -0.220 3.899 4.120 -0.000 0.000 0.245 167 V C 2.583 178.621 176.094 -0.094 0.000 1.044 167 V CA 2.168 64.348 62.300 -0.200 0.000 1.036 167 V CB -1.459 30.215 31.823 -0.248 0.000 0.664 167 V HN 0.658 nan 8.190 nan 0.000 0.453 168 T N -2.123 112.378 114.554 -0.089 0.000 2.833 168 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 168 T C 1.712 176.441 174.700 0.048 0.000 1.054 168 T CA 1.236 63.359 62.100 0.038 0.000 1.135 168 T CB -0.277 68.599 68.868 0.014 0.000 0.869 168 T HN 0.394 nan 8.240 nan 0.000 0.466 169 E N 1.782 121.977 120.200 -0.008 0.000 2.072 169 E HA 0.041 4.391 4.350 -0.000 0.000 0.191 169 E C 2.587 179.267 176.600 0.134 0.000 0.985 169 E CA 1.315 57.778 56.400 0.104 0.000 0.801 169 E CB -0.613 29.149 29.700 0.105 0.000 0.750 169 E HN 0.695 nan 8.360 nan 0.000 0.452 170 A N 0.576 123.433 122.820 0.061 0.000 2.014 170 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 170 A C 1.931 179.471 177.584 -0.074 0.000 1.163 170 A CA 0.647 52.724 52.037 0.066 0.000 0.652 170 A CB -0.166 18.863 19.000 0.049 0.000 0.808 170 A HN 0.157 nan 8.150 nan 0.000 0.449 171 L N -0.936 120.255 121.223 -0.053 0.000 2.928 171 L HA 0.171 4.510 4.340 -0.000 0.000 0.246 171 L C 1.602 178.466 176.870 -0.010 0.000 1.239 171 L CA -0.235 54.619 54.840 0.023 0.000 1.035 171 L CB 0.208 42.287 42.059 0.034 0.000 1.360 171 L HN 0.139 nan 8.230 nan 0.000 0.529 172 K N 1.847 122.112 120.400 -0.225 0.000 2.113 172 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 172 K C -0.737 175.733 176.600 -0.217 0.000 1.047 172 K CA 1.700 57.897 56.287 -0.151 0.000 0.928 172 K CB -0.897 31.551 32.500 -0.086 0.000 0.716 172 K HN 0.136 nan 8.250 nan 0.000 0.446 173 P HA -0.106 nan 4.420 nan 0.000 0.228 173 P C 0.025 177.000 177.300 -0.541 0.000 1.151 173 P CA 1.071 63.914 63.100 -0.427 0.000 0.770 173 P CB -0.008 31.334 31.700 -0.597 0.000 0.786 174 Y N -1.029 119.164 120.300 -0.177 0.000 2.493 174 Y HA 0.109 4.659 4.550 -0.000 0.000 0.275 174 Y C 1.710 177.497 175.900 -0.189 0.000 1.183 174 Y CA 0.168 58.180 58.100 -0.146 0.000 1.258 174 Y CB -0.428 37.962 38.460 -0.115 0.000 1.108 174 Y HN 0.035 nan 8.280 nan 0.000 0.521 175 S N -2.227 113.354 115.700 -0.198 0.000 2.557 175 S HA 0.084 4.554 4.470 -0.000 0.000 0.223 175 S C 0.653 175.113 174.600 -0.232 0.000 0.969 175 S CA -0.467 57.506 58.200 -0.378 0.000 0.927 175 S CB -0.109 62.526 63.200 -0.942 0.000 0.806 175 S HN 0.172 nan 8.310 nan 0.000 0.489 176 S N 1.327 116.944 115.700 -0.139 0.000 2.546 176 S HA 0.414 4.884 4.470 -0.000 0.000 0.290 176 S C 1.489 176.051 174.600 -0.064 0.000 1.290 176 S CA 0.893 59.041 58.200 -0.086 0.000 1.069 176 S CB -0.436 62.723 63.200 -0.068 0.000 0.846 176 S HN 1.623 nan 8.310 nan 0.000 0.495 177 G N 3.083 111.855 108.800 -0.045 0.000 2.179 177 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.260 177 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.260 177 G C 0.441 175.324 174.900 -0.029 0.000 0.977 177 G CA 0.087 45.171 45.100 -0.027 0.000 0.641 177 G HN 1.314 nan 8.290 nan 0.000 0.533 178 G N 0.073 108.842 108.800 -0.051 0.000 2.434 178 G HA2 0.776 4.736 3.960 -0.000 0.000 0.330 178 G HA3 0.776 4.736 3.960 -0.000 0.000 0.330 178 G C -1.919 172.999 174.900 0.029 0.000 1.155 178 G CA -0.792 44.290 45.100 -0.029 0.000 0.917 178 G HN 0.229 nan 8.290 nan 0.000 0.493 179 P HA 0.230 nan 4.420 nan 0.000 0.274 179 P C -0.149 177.236 177.300 0.142 0.000 1.237 179 P CA -0.477 62.666 63.100 0.072 0.000 0.793 179 P CB 1.091 32.804 31.700 0.022 0.000 0.977 180 R N 0.050 120.610 120.500 0.099 0.000 2.679 180 R HA 0.272 4.612 4.340 -0.000 0.000 0.268 180 R C 0.049 176.287 176.300 -0.104 0.000 1.044 180 R CA -0.295 55.812 56.100 0.012 0.000 1.105 180 R CB 0.164 30.477 30.300 0.021 0.000 0.989 180 R HN 0.362 nan 8.270 nan 0.000 0.447 181 V N -0.241 119.436 119.914 -0.395 0.000 2.628 181 V HA 0.640 4.760 4.120 -0.000 0.000 0.306 181 V C -1.073 174.685 176.094 -0.560 0.000 1.045 181 V CA -1.124 60.922 62.300 -0.424 0.000 0.905 181 V CB 1.342 32.864 31.823 -0.502 0.000 0.997 181 V HN 0.667 nan 8.190 nan 0.000 0.436 182 W N 2.066 123.081 121.300 -0.475 0.000 2.844 182 W HA 0.775 5.435 4.660 -0.000 0.000 0.340 182 W C -1.324 174.780 176.519 -0.693 0.000 1.093 182 W CA -0.691 56.429 57.345 -0.376 0.000 1.212 182 W CB 1.711 31.004 29.460 -0.279 0.000 1.422 182 W HN 0.568 nan 8.180 nan 0.000 0.515 183 Y N 1.423 121.763 120.300 0.068 0.000 2.350 183 Y HA 0.606 5.156 4.550 -0.000 0.000 0.338 183 Y C -0.256 175.558 175.900 -0.144 0.000 0.961 183 Y CA -1.247 56.839 58.100 -0.024 0.000 1.100 183 Y CB 1.583 40.029 38.460 -0.024 0.000 1.179 183 Y HN 0.003 nan 8.280 nan 0.000 0.454 184 V N 3.176 123.005 119.914 -0.141 0.000 2.409 184 V HA 0.334 4.454 4.120 -0.000 0.000 0.291 184 V C 0.099 176.109 176.094 -0.141 0.000 1.020 184 V CA -0.058 61.990 62.300 -0.420 0.000 0.848 184 V CB 1.361 33.008 31.823 -0.294 0.000 0.990 184 V HN 0.978 nan 8.190 nan 0.000 0.430 185 S N 2.844 118.546 115.700 0.003 0.000 3.019 185 S HA 0.162 4.632 4.470 -0.000 0.000 0.258 185 S C 0.708 175.412 174.600 0.173 0.000 1.082 185 S CA -0.188 58.089 58.200 0.128 0.000 0.836 185 S CB -0.064 63.228 63.200 0.155 0.000 0.834 185 S HN 0.540 nan 8.310 nan 0.000 0.457 186 N N 1.722 120.634 118.700 0.354 0.000 2.458 186 N HA 0.152 4.892 4.740 -0.000 0.000 0.258 186 N C 0.684 176.271 175.510 0.129 0.000 1.219 186 N CA -0.087 53.073 53.050 0.183 0.000 0.902 186 N CB 0.912 39.464 38.487 0.107 0.000 1.076 186 N HN 0.293 nan 8.380 nan 0.000 0.455 187 I N 2.004 122.613 120.570 0.064 0.000 2.493 187 I HA -0.100 4.070 4.170 -0.000 0.000 0.254 187 I C 0.343 176.487 176.117 0.045 0.000 1.160 187 I CA 0.543 61.868 61.300 0.042 0.000 1.445 187 I CB -0.637 37.376 38.000 0.021 0.000 1.086 187 I HN 0.557 nan 8.210 nan 0.000 0.433 188 D N 0.474 120.901 120.400 0.046 0.000 2.581 188 D HA -0.037 4.603 4.640 -0.000 0.000 0.238 188 D C 1.576 177.911 176.300 0.058 0.000 1.145 188 D CA 0.912 54.934 54.000 0.037 0.000 0.866 188 D CB 0.886 41.697 40.800 0.019 0.000 1.151 188 D HN 0.323 nan 8.370 nan 0.000 0.500 189 G N 3.142 111.966 108.800 0.040 0.000 2.479 189 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 189 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 189 G C 1.486 176.415 174.900 0.048 0.000 1.115 189 G CA 1.025 46.148 45.100 0.038 0.000 0.757 189 G HN 0.598 nan 8.290 nan 0.000 0.560 190 T N -0.460 114.124 114.554 0.051 0.000 2.721 190 T HA -0.197 4.152 4.350 -0.000 0.000 0.268 190 T C 1.868 176.636 174.700 0.113 0.000 1.038 190 T CA 1.583 63.717 62.100 0.057 0.000 1.145 190 T CB -0.349 68.539 68.868 0.033 0.000 0.858 190 T HN 0.619 nan 8.240 nan 0.000 0.459 191 H N -0.679 118.395 119.070 0.007 0.000 2.276 191 H HA -0.025 4.531 4.556 -0.000 0.000 0.301 191 H C 2.380 177.704 175.328 -0.006 0.000 1.073 191 H CA 1.228 57.285 56.048 0.016 0.000 1.311 191 H CB -0.053 29.723 29.762 0.024 0.000 1.379 191 H HN 0.215 nan 8.280 nan 0.000 0.494 192 I N 0.817 121.416 120.570 0.048 0.000 2.353 192 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 192 I C 2.433 178.487 176.117 -0.106 0.000 1.119 192 I CA 1.324 62.575 61.300 -0.080 0.000 1.417 192 I CB -0.506 37.446 38.000 -0.081 0.000 1.078 192 I HN 0.323 nan 8.210 nan 0.000 0.421 193 A N 1.385 124.177 122.820 -0.046 0.000 1.883 193 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 193 A C 2.349 179.896 177.584 -0.061 0.000 1.186 193 A CA 2.269 54.273 52.037 -0.056 0.000 0.624 193 A CB -0.860 18.137 19.000 -0.006 0.000 0.822 193 A HN 0.618 nan 8.150 nan 0.000 0.444 194 K N -1.245 119.150 120.400 -0.009 0.000 2.288 194 K HA -0.044 4.276 4.320 -0.000 0.000 0.201 194 K C 1.567 178.141 176.600 -0.043 0.000 1.048 194 K CA 1.668 57.959 56.287 0.008 0.000 0.956 194 K CB -0.500 32.040 32.500 0.067 0.000 0.746 194 K HN 0.305 nan 8.250 nan 0.000 0.461 195 T N 2.156 116.646 114.554 -0.106 0.000 2.770 195 T HA 0.047 4.397 4.350 -0.000 0.000 0.258 195 T C 1.828 176.238 174.700 -0.483 0.000 1.039 195 T CA 0.932 62.863 62.100 -0.281 0.000 1.143 195 T CB -0.145 68.577 68.868 -0.244 0.000 0.866 195 T HN 0.112 nan 8.240 nan 0.000 0.428 196 L N 1.057 121.999 121.223 -0.468 0.000 2.191 196 L HA -0.063 4.276 4.340 -0.000 0.000 0.212 196 L C 2.905 179.576 176.870 -0.332 0.000 1.103 196 L CA 0.933 55.347 54.840 -0.709 0.000 0.769 196 L CB -0.632 40.798 42.059 -1.048 0.000 0.908 196 L HN 0.247 nan 8.230 nan 0.000 0.438 197 A N -0.640 122.076 122.820 -0.172 0.000 2.121 197 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 197 A C 2.022 179.596 177.584 -0.017 0.000 1.154 197 A CA 1.169 53.194 52.037 -0.019 0.000 0.679 197 A CB -0.243 18.756 19.000 -0.002 0.000 0.795 197 A HN 0.535 nan 8.150 nan 0.000 0.458 198 Q N -0.946 118.772 119.800 -0.138 0.000 2.282 198 Q HA 0.382 4.722 4.340 -0.000 0.000 0.206 198 Q C -0.462 175.460 176.000 -0.130 0.000 0.878 198 Q CA -0.121 55.613 55.803 -0.114 0.000 0.944 198 Q CB 0.375 29.027 28.738 -0.144 0.000 1.100 198 Q HN 0.573 nan 8.270 nan 0.000 0.509 199 L N -0.191 120.972 121.223 -0.100 0.000 2.286 199 L HA 0.458 4.797 4.340 -0.000 0.000 0.265 199 L C -0.624 176.439 176.870 0.322 0.000 1.012 199 L CA -1.056 53.797 54.840 0.021 0.000 0.818 199 L CB 1.673 43.643 42.059 -0.148 0.000 1.337 199 L HN -0.101 nan 8.230 nan 0.000 0.438 200 N N 0.260 119.143 118.700 0.305 0.000 2.399 200 N HA 0.320 5.060 4.740 -0.000 0.000 0.280 200 N C -2.151 173.552 175.510 0.322 0.000 1.008 200 N CA -1.217 51.990 53.050 0.262 0.000 0.894 200 N CB 2.242 40.821 38.487 0.153 0.000 1.273 200 N HN 0.254 nan 8.380 nan 0.000 0.486 201 P HA -0.141 nan 4.420 nan 0.000 0.218 201 P C 0.392 177.902 177.300 0.350 0.000 1.148 201 P CA 1.168 64.365 63.100 0.162 0.000 0.822 201 P CB 0.382 31.864 31.700 -0.363 0.000 0.784 202 E N -0.771 119.603 120.200 0.289 0.000 2.268 202 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 202 E C 1.368 178.222 176.600 0.424 0.000 0.995 202 E CA 1.286 57.885 56.400 0.333 0.000 0.836 202 E CB -0.501 29.250 29.700 0.085 0.000 0.763 202 E HN 0.325 nan 8.360 nan 0.000 0.491 203 S N -1.789 114.115 115.700 0.340 0.000 2.846 203 S HA 0.336 4.806 4.470 -0.000 0.000 0.249 203 S C 0.281 175.014 174.600 0.222 0.000 1.028 203 S CA -0.677 57.682 58.200 0.264 0.000 1.043 203 S CB 0.611 63.908 63.200 0.161 0.000 0.990 203 S HN -0.118 nan 8.310 nan 0.000 0.564 204 S N 1.983 117.862 115.700 0.299 0.000 2.451 204 S HA 0.713 5.183 4.470 -0.000 0.000 0.301 204 S C -1.030 173.590 174.600 0.033 0.000 1.116 204 S CA -0.598 57.642 58.200 0.066 0.000 1.093 204 S CB 1.532 64.752 63.200 0.034 0.000 1.017 204 S HN 0.505 nan 8.310 nan 0.000 0.482 205 L N 3.965 125.030 121.223 -0.264 0.000 2.325 205 L HA 0.669 5.009 4.340 -0.000 0.000 0.281 205 L C -1.751 174.791 176.870 -0.546 0.000 1.004 205 L CA -0.308 54.369 54.840 -0.273 0.000 0.823 205 L CB 0.416 42.356 42.059 -0.199 0.000 1.236 205 L HN 0.505 nan 8.230 nan 0.000 0.415 206 F N 5.596 125.298 119.950 -0.414 0.000 2.420 206 F HA 0.542 5.069 4.527 -0.000 0.000 0.342 206 F C 0.140 175.791 175.800 -0.248 0.000 1.113 206 F CA -0.409 57.334 58.000 -0.428 0.000 1.059 206 F CB 1.347 39.871 39.000 -0.793 0.000 1.128 206 F HN 0.243 nan 8.300 nan 0.000 0.475 207 I N 5.314 125.866 120.570 -0.030 0.000 2.354 207 I HA 0.271 4.440 4.170 -0.000 0.000 0.286 207 I C -0.829 175.299 176.117 0.018 0.000 1.007 207 I CA -0.547 60.729 61.300 -0.040 0.000 1.167 207 I CB 0.891 38.811 38.000 -0.133 0.000 1.320 207 I HN 0.307 nan 8.210 nan 0.000 0.458 208 I N 5.937 126.552 120.570 0.076 0.000 2.291 208 I HA 0.334 4.504 4.170 -0.000 0.000 0.290 208 I C 0.668 176.844 176.117 0.099 0.000 1.050 208 I CA -0.420 60.914 61.300 0.057 0.000 1.245 208 I CB 0.935 38.950 38.000 0.026 0.000 1.405 208 I HN 0.516 nan 8.210 nan 0.000 0.478 209 A N 5.008 127.847 122.820 0.032 0.000 2.366 209 A HA 0.591 4.911 4.320 -0.000 0.000 0.322 209 A C 0.231 177.857 177.584 0.070 0.000 1.397 209 A CA -0.282 51.791 52.037 0.060 0.000 0.984 209 A CB 0.417 19.417 19.000 -0.000 0.000 1.149 209 A HN 0.666 nan 8.150 nan 0.000 0.540 210 S N 2.208 118.011 115.700 0.173 0.000 2.599 210 S HA 0.297 4.767 4.470 -0.000 0.000 0.269 210 S C 0.473 175.199 174.600 0.209 0.000 1.135 210 S CA -0.482 57.802 58.200 0.140 0.000 1.027 210 S CB 0.988 64.162 63.200 -0.044 0.000 1.129 210 S HN 0.703 nan 8.310 nan 0.000 0.458 211 K N 3.014 123.522 120.400 0.180 0.000 2.044 211 K HA -0.097 4.223 4.320 -0.000 0.000 0.210 211 K C 1.922 178.472 176.600 -0.084 0.000 1.049 211 K CA 3.026 59.248 56.287 -0.109 0.000 0.927 211 K CB -0.723 31.662 32.500 -0.192 0.000 0.713 211 K HN 0.752 nan 8.250 nan 0.000 0.443 212 T N -3.328 111.227 114.554 0.002 0.000 3.043 212 T HA -0.015 4.335 4.350 -0.000 0.000 0.263 212 T C 0.838 175.617 174.700 0.132 0.000 1.094 212 T CA 0.465 62.580 62.100 0.024 0.000 1.127 212 T CB -0.433 68.444 68.868 0.015 0.000 0.905 212 T HN 0.251 nan 8.240 nan 0.000 0.490 213 F N 2.238 122.154 119.950 -0.057 0.000 3.084 213 F HA -0.271 4.256 4.527 -0.000 0.000 0.286 213 F C 1.056 176.840 175.800 -0.026 0.000 0.855 213 F CA 1.082 59.050 58.000 -0.053 0.000 1.091 213 F CB -1.789 37.170 39.000 -0.068 0.000 1.177 213 F HN 0.536 nan 8.300 nan 0.000 0.542 214 T N -4.592 109.960 114.554 -0.003 0.000 3.111 214 T HA 0.206 4.556 4.350 -0.000 0.000 0.284 214 T C 0.555 175.226 174.700 -0.048 0.000 0.983 214 T CA 0.498 62.587 62.100 -0.019 0.000 0.900 214 T CB -0.022 68.859 68.868 0.023 0.000 1.132 214 T HN 0.136 nan 8.240 nan 0.000 0.531 215 T N 3.259 117.768 114.554 -0.074 0.000 2.792 215 T HA 0.025 4.375 4.350 -0.000 0.000 0.286 215 T C 1.304 175.963 174.700 -0.068 0.000 0.970 215 T CA 0.112 62.176 62.100 -0.061 0.000 1.187 215 T CB 1.176 70.005 68.868 -0.066 0.000 0.915 215 T HN 0.442 nan 8.240 nan 0.000 0.529 216 Q N 3.208 122.986 119.800 -0.037 0.000 2.014 216 Q HA -0.215 4.125 4.340 -0.000 0.000 0.207 216 Q C 1.936 177.915 176.000 -0.034 0.000 0.993 216 Q CA 1.926 57.711 55.803 -0.029 0.000 0.850 216 Q CB 0.034 28.765 28.738 -0.011 0.000 0.916 216 Q HN 0.805 nan 8.270 nan 0.000 0.417 217 E N -0.608 119.575 120.200 -0.028 0.000 2.051 217 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 217 E C 2.097 178.675 176.600 -0.037 0.000 0.991 217 E CA 1.688 58.075 56.400 -0.021 0.000 0.799 217 E CB -0.094 29.601 29.700 -0.008 0.000 0.748 217 E HN 0.397 nan 8.360 nan 0.000 0.449 218 T N 1.601 116.117 114.554 -0.062 0.000 2.708 218 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 218 T C 1.863 176.480 174.700 -0.139 0.000 1.037 218 T CA 0.864 62.906 62.100 -0.096 0.000 1.146 218 T CB -0.062 68.731 68.868 -0.124 0.000 0.865 218 T HN 0.051 nan 8.240 nan 0.000 0.435 219 I N 1.587 122.055 120.570 -0.170 0.000 2.315 219 I HA -0.088 4.082 4.170 -0.000 0.000 0.248 219 I C 2.591 178.681 176.117 -0.045 0.000 1.117 219 I CA 1.290 62.483 61.300 -0.178 0.000 1.404 219 I CB -1.830 36.052 38.000 -0.197 0.000 1.071 219 I HN 0.261 nan 8.210 nan 0.000 0.419 220 T N 1.472 116.006 114.554 -0.032 0.000 2.674 220 T HA -0.152 4.197 4.350 -0.000 0.000 0.265 220 T C 1.797 176.498 174.700 0.003 0.000 1.039 220 T CA 1.465 63.562 62.100 -0.005 0.000 1.150 220 T CB -0.247 68.618 68.868 -0.006 0.000 0.864 220 T HN 0.260 nan 8.240 nan 0.000 0.427 221 N N 1.365 120.058 118.700 -0.011 0.000 2.104 221 N HA -0.065 4.675 4.740 -0.000 0.000 0.190 221 N C 2.127 177.640 175.510 0.006 0.000 1.024 221 N CA 1.458 54.501 53.050 -0.011 0.000 0.853 221 N CB -0.602 37.871 38.487 -0.022 0.000 1.008 221 N HN 0.436 nan 8.380 nan 0.000 0.424 222 A N 1.239 124.070 122.820 0.019 0.000 1.902 222 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 222 A C 2.099 179.830 177.584 0.245 0.000 1.181 222 A CA 1.482 53.588 52.037 0.114 0.000 0.623 222 A CB -0.507 18.467 19.000 -0.043 0.000 0.818 222 A HN 0.378 nan 8.150 nan 0.000 0.443 223 E N -1.026 119.283 120.200 0.182 0.000 2.106 223 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 223 E C 2.031 178.642 176.600 0.019 0.000 0.984 223 E CA 1.460 57.904 56.400 0.075 0.000 0.806 223 E CB -0.260 29.460 29.700 0.034 0.000 0.750 223 E HN 0.582 nan 8.360 nan 0.000 0.458 224 T N 0.792 115.362 114.554 0.027 0.000 2.777 224 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 224 T C 1.986 176.711 174.700 0.041 0.000 1.040 224 T CA 1.167 63.281 62.100 0.023 0.000 1.141 224 T CB -0.195 68.675 68.868 0.003 0.000 0.868 224 T HN 0.246 nan 8.240 nan 0.000 0.444 225 A N 1.613 124.426 122.820 -0.012 0.000 1.902 225 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 225 A C 2.205 179.897 177.584 0.181 0.000 1.181 225 A CA 2.064 54.039 52.037 -0.102 0.000 0.623 225 A CB -0.545 18.135 19.000 -0.532 0.000 0.818 225 A HN 0.496 nan 8.150 nan 0.000 0.443 226 K N -0.191 120.277 120.400 0.113 0.000 2.097 226 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 226 K C 2.068 178.711 176.600 0.072 0.000 1.049 226 K CA 1.624 57.889 56.287 -0.037 0.000 0.933 226 K CB -0.174 32.019 32.500 -0.511 0.000 0.717 226 K HN 0.642 nan 8.250 nan 0.000 0.442 227 E N -0.305 119.925 120.200 0.049 0.000 2.051 227 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 227 E C 1.809 178.483 176.600 0.122 0.000 0.991 227 E CA 1.507 57.933 56.400 0.044 0.000 0.799 227 E CB -0.324 29.396 29.700 0.033 0.000 0.748 227 E HN 0.543 nan 8.360 nan 0.000 0.449 228 W N 0.452 121.752 121.300 -0.001 0.000 2.358 228 W HA -0.253 4.407 4.660 -0.000 0.000 0.303 228 W C 1.934 178.479 176.519 0.043 0.000 1.208 228 W CA 1.804 59.161 57.345 0.018 0.000 1.274 228 W CB -0.548 28.936 29.460 0.038 0.000 1.138 228 W HN 0.195 nan 8.180 nan 0.000 0.515 229 F N 0.905 120.948 119.950 0.156 0.000 2.102 229 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 229 F C 2.028 177.677 175.800 -0.251 0.000 1.105 229 F CA 2.146 60.084 58.000 -0.103 0.000 1.239 229 F CB -0.832 38.316 39.000 0.245 0.000 0.991 229 F HN -0.157 nan 8.300 nan 0.000 0.474 230 L N -0.124 120.954 121.223 -0.243 0.000 2.291 230 L HA -0.173 4.167 4.340 -0.000 0.000 0.214 230 L C 2.388 179.042 176.870 -0.360 0.000 1.120 230 L CA 0.882 55.502 54.840 -0.367 0.000 0.799 230 L CB -0.655 41.313 42.059 -0.152 0.000 0.925 230 L HN 0.262 nan 8.230 nan 0.000 0.446 231 Q N -0.462 119.159 119.800 -0.298 0.000 2.170 231 Q HA -0.191 4.149 4.340 -0.000 0.000 0.203 231 Q C 2.309 178.114 176.000 -0.325 0.000 0.976 231 Q CA 1.676 57.326 55.803 -0.255 0.000 0.858 231 Q CB -0.078 28.544 28.738 -0.195 0.000 0.907 231 Q HN 0.592 nan 8.270 nan 0.000 0.433 232 A N 0.016 122.545 122.820 -0.486 0.000 1.911 232 A HA 0.184 4.504 4.320 -0.000 0.000 0.212 232 A C 2.071 179.384 177.584 -0.452 0.000 1.189 232 A CA 0.958 52.734 52.037 -0.436 0.000 0.639 232 A CB -0.296 18.410 19.000 -0.489 0.000 0.839 232 A HN 0.336 nan 8.150 nan 0.000 0.449 233 A N -1.443 120.873 122.820 -0.840 0.000 1.975 233 A HA 0.173 4.493 4.320 -0.000 0.000 0.215 233 A C 1.512 178.808 177.584 -0.481 0.000 1.170 233 A CA 1.639 53.079 52.037 -0.995 0.000 0.656 233 A CB -0.054 17.813 19.000 -1.888 0.000 0.821 233 A HN 0.303 nan 8.150 nan 0.000 0.449 234 K N -1.028 119.141 120.400 -0.386 0.000 3.870 234 K HA -0.225 4.095 4.320 -0.000 0.000 0.370 234 K C -0.021 176.481 176.600 -0.164 0.000 0.607 234 K CA 1.840 57.996 56.287 -0.217 0.000 1.617 234 K CB -1.958 30.458 32.500 -0.140 0.000 1.221 234 K HN 0.631 nan 8.250 nan 0.000 0.485 235 D N 2.482 122.785 120.400 -0.163 0.000 2.316 235 D HA 0.239 4.879 4.640 -0.000 0.000 0.245 235 D C -1.599 174.679 176.300 -0.037 0.000 1.171 235 D CA -2.258 51.699 54.000 -0.072 0.000 0.856 235 D CB 1.281 42.068 40.800 -0.021 0.000 1.090 235 D HN -0.063 nan 8.370 nan 0.000 0.476 236 P HA -0.160 nan 4.420 nan 0.000 0.218 236 P C 1.251 178.572 177.300 0.034 0.000 1.148 236 P CA 1.123 64.215 63.100 -0.015 0.000 0.822 236 P CB 0.095 31.774 31.700 -0.035 0.000 0.784 237 S N -0.765 114.963 115.700 0.048 0.000 2.447 237 S HA -0.020 4.450 4.470 -0.000 0.000 0.233 237 S C 1.959 176.647 174.600 0.147 0.000 1.006 237 S CA 0.856 59.103 58.200 0.079 0.000 0.957 237 S CB -1.152 62.085 63.200 0.063 0.000 0.773 237 S HN 0.112 nan 8.310 nan 0.000 0.507 238 A N 1.119 124.052 122.820 0.187 0.000 2.168 238 A HA 0.238 4.558 4.320 -0.000 0.000 0.215 238 A C 2.165 180.021 177.584 0.453 0.000 1.152 238 A CA 0.904 53.143 52.037 0.338 0.000 0.716 238 A CB -0.760 18.396 19.000 0.261 0.000 0.794 238 A HN 0.442 nan 8.150 nan 0.000 0.465 239 V N -0.128 119.983 119.914 0.329 0.000 2.407 239 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 239 V C 2.965 179.260 176.094 0.335 0.000 1.055 239 V CA 1.816 64.261 62.300 0.242 0.000 1.049 239 V CB -1.033 30.807 31.823 0.028 0.000 0.662 239 V HN 0.602 nan 8.190 nan 0.000 0.455 240 A N -0.833 122.152 122.820 0.275 0.000 2.125 240 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 240 A C 2.197 180.001 177.584 0.367 0.000 1.156 240 A CA 1.329 53.538 52.037 0.287 0.000 0.671 240 A CB -0.293 18.821 19.000 0.190 0.000 0.794 240 A HN 0.483 nan 8.150 nan 0.000 0.459 241 K N -1.265 119.351 120.400 0.360 0.000 2.400 241 K HA 0.058 4.377 4.320 -0.000 0.000 0.194 241 K C 0.473 177.236 176.600 0.272 0.000 1.033 241 K CA 0.541 57.020 56.287 0.319 0.000 1.021 241 K CB 0.083 32.702 32.500 0.198 0.000 0.808 241 K HN 0.662 nan 8.250 nan 0.000 0.505 242 H N -1.586 117.688 119.070 0.341 0.000 3.233 242 H HA 0.191 4.747 4.556 -0.000 0.000 0.263 242 H C -0.682 174.631 175.328 -0.024 0.000 1.168 242 H CA -0.050 56.072 56.048 0.123 0.000 1.159 242 H CB 0.652 30.245 29.762 -0.281 0.000 1.593 242 H HN -0.076 nan 8.280 nan 0.000 0.580 243 F N 1.750 121.857 119.950 0.263 0.000 2.539 243 F HA 0.346 4.873 4.527 -0.000 0.000 0.318 243 F C 0.122 176.025 175.800 0.173 0.000 1.135 243 F CA -1.158 56.987 58.000 0.241 0.000 0.915 243 F CB 1.907 41.075 39.000 0.279 0.000 1.176 243 F HN -0.228 nan 8.300 nan 0.000 0.440 244 V N 0.211 120.253 119.914 0.214 0.000 3.074 244 V HA 1.032 5.152 4.120 -0.000 0.000 0.314 244 V C -0.939 175.214 176.094 0.099 0.000 1.117 244 V CA -1.091 61.271 62.300 0.104 0.000 1.014 244 V CB 1.613 33.391 31.823 -0.074 0.000 1.057 244 V HN 0.965 nan 8.190 nan 0.000 0.438 245 A N 2.907 125.776 122.820 0.081 0.000 2.386 245 A HA 0.870 5.190 4.320 -0.000 0.000 0.311 245 A C -0.814 176.859 177.584 0.148 0.000 1.068 245 A CA -0.788 51.302 52.037 0.088 0.000 0.743 245 A CB 1.435 20.340 19.000 -0.157 0.000 1.258 245 A HN 1.074 nan 8.150 nan 0.000 0.429 246 L N 2.298 123.624 121.223 0.172 0.000 2.297 246 L HA 0.650 4.989 4.340 -0.000 0.000 0.277 246 L C 0.208 177.260 176.870 0.304 0.000 1.040 246 L CA -0.131 54.845 54.840 0.226 0.000 0.867 246 L CB 0.492 42.626 42.059 0.126 0.000 1.244 246 L HN 0.678 nan 8.230 nan 0.000 0.433 247 S N 0.338 116.106 115.700 0.112 0.000 2.636 247 S HA 0.474 4.944 4.470 -0.000 0.000 0.266 247 S C 0.296 174.721 174.600 -0.292 0.000 1.147 247 S CA 0.213 58.364 58.200 -0.082 0.000 0.815 247 S CB 1.827 65.014 63.200 -0.022 0.000 1.119 247 S HN 0.628 nan 8.310 nan 0.000 0.470 248 T N -0.986 113.361 114.554 -0.345 0.000 3.043 248 T HA 0.331 4.681 4.350 -0.000 0.000 0.272 248 T C 0.210 174.782 174.700 -0.212 0.000 0.990 248 T CA -0.039 61.870 62.100 -0.318 0.000 0.897 248 T CB -0.704 67.928 68.868 -0.393 0.000 1.111 248 T HN 0.475 nan 8.240 nan 0.000 0.529 249 N N 1.733 120.325 118.700 -0.180 0.000 2.968 249 N HA 0.173 4.913 4.740 -0.000 0.000 0.271 249 N C 0.957 176.366 175.510 -0.169 0.000 1.174 249 N CA -0.110 52.865 53.050 -0.124 0.000 1.096 249 N CB 0.291 38.758 38.487 -0.033 0.000 1.403 249 N HN 0.124 nan 8.380 nan 0.000 0.522 250 T N 0.208 114.671 114.554 -0.151 0.000 2.653 250 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 250 T C 1.709 176.336 174.700 -0.121 0.000 1.035 250 T CA 1.756 63.767 62.100 -0.148 0.000 1.154 250 T CB -0.251 68.554 68.868 -0.106 0.000 0.862 250 T HN 0.455 nan 8.240 nan 0.000 0.441 251 T N 1.903 116.411 114.554 -0.076 0.000 2.708 251 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 251 T C 2.111 176.796 174.700 -0.024 0.000 1.037 251 T CA 0.894 62.970 62.100 -0.040 0.000 1.146 251 T CB -0.124 68.734 68.868 -0.018 0.000 0.865 251 T HN 0.222 nan 8.240 nan 0.000 0.435 252 K N 0.904 121.296 120.400 -0.012 0.000 2.097 252 K HA 0.050 4.370 4.320 -0.000 0.000 0.205 252 K C 2.349 178.954 176.600 0.009 0.000 1.050 252 K CA 0.586 56.920 56.287 0.078 0.000 0.938 252 K CB -0.923 31.694 32.500 0.194 0.000 0.718 252 K HN 0.239 nan 8.250 nan 0.000 0.442 253 V N 1.756 121.476 119.914 -0.325 0.000 2.261 253 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 253 V C 2.581 178.587 176.094 -0.147 0.000 1.047 253 V CA 2.132 64.086 62.300 -0.577 0.000 1.015 253 V CB -0.423 30.995 31.823 -0.674 0.000 0.642 253 V HN 0.353 nan 8.190 nan 0.000 0.446 254 K N 0.338 120.682 120.400 -0.094 0.000 2.063 254 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 254 K C 2.001 178.623 176.600 0.037 0.000 1.048 254 K CA 2.089 58.365 56.287 -0.019 0.000 0.928 254 K CB -0.268 32.215 32.500 -0.029 0.000 0.713 254 K HN 0.553 nan 8.250 nan 0.000 0.442 255 E N -0.588 119.643 120.200 0.052 0.000 2.153 255 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 255 E C 1.690 178.352 176.600 0.103 0.000 0.988 255 E CA 1.046 57.487 56.400 0.067 0.000 0.811 255 E CB -0.170 29.572 29.700 0.069 0.000 0.746 255 E HN 0.377 nan 8.360 nan 0.000 0.466 256 F N -0.029 119.940 119.950 0.031 0.000 2.293 256 F HA -0.043 4.484 4.527 -0.000 0.000 0.300 256 F C 1.482 177.265 175.800 -0.028 0.000 1.086 256 F CA 1.497 59.524 58.000 0.045 0.000 1.375 256 F CB 0.397 39.521 39.000 0.206 0.000 1.045 256 F HN 0.091 nan 8.300 nan 0.000 0.516 257 G N 0.512 109.400 108.800 0.147 0.000 2.192 257 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.193 257 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.193 257 G C 0.174 175.169 174.900 0.158 0.000 0.999 257 G CA -0.063 45.077 45.100 0.068 0.000 0.659 257 G HN 0.272 nan 8.290 nan 0.000 0.503 258 I N 1.698 122.400 120.570 0.219 0.000 2.474 258 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 258 I C 0.220 176.386 176.117 0.082 0.000 1.048 258 I CA -0.586 60.819 61.300 0.175 0.000 1.383 258 I CB 1.061 39.130 38.000 0.116 0.000 1.412 258 I HN 0.077 nan 8.210 nan 0.000 0.531 259 D N 8.930 129.389 120.400 0.098 0.000 2.358 259 D HA 0.095 4.735 4.640 -0.000 0.000 0.258 259 D C -1.657 174.638 176.300 -0.009 0.000 1.223 259 D CA -2.118 51.914 54.000 0.054 0.000 0.886 259 D CB 1.297 42.154 40.800 0.094 0.000 1.120 259 D HN 0.170 nan 8.370 nan 0.000 0.482 260 P HA -0.191 nan 4.420 nan 0.000 0.220 260 P C 1.205 178.425 177.300 -0.134 0.000 1.144 260 P CA 0.932 63.967 63.100 -0.108 0.000 0.800 260 P CB -0.032 31.613 31.700 -0.092 0.000 0.772 261 Q N 0.173 119.918 119.800 -0.091 0.000 2.291 261 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 261 Q C 0.366 176.234 176.000 -0.219 0.000 0.976 261 Q CA 1.195 56.931 55.803 -0.111 0.000 0.875 261 Q CB -0.478 28.241 28.738 -0.032 0.000 0.927 261 Q HN 0.222 nan 8.270 nan 0.000 0.450 262 N N 0.743 119.325 118.700 -0.197 0.000 2.453 262 N HA 0.161 4.901 4.740 -0.000 0.000 0.270 262 N C -0.892 174.373 175.510 -0.408 0.000 1.195 262 N CA 0.078 52.922 53.050 -0.343 0.000 0.902 262 N CB 0.582 39.051 38.487 -0.030 0.000 1.186 262 N HN 0.344 nan 8.380 nan 0.000 0.510 263 M N 0.922 120.241 119.600 -0.469 0.000 2.066 263 M HA 0.370 4.850 4.480 -0.000 0.000 0.340 263 M C -1.400 174.634 176.300 -0.443 0.000 1.053 263 M CA -0.629 54.477 55.300 -0.325 0.000 0.983 263 M CB 0.407 32.848 32.600 -0.265 0.000 1.520 263 M HN -0.144 nan 8.290 nan 0.000 0.428 264 F N 3.686 123.542 119.950 -0.157 0.000 2.404 264 F HA 0.365 4.892 4.527 -0.000 0.000 0.358 264 F C 0.457 176.199 175.800 -0.097 0.000 1.120 264 F CA -0.398 57.529 58.000 -0.121 0.000 1.144 264 F CB 0.596 39.515 39.000 -0.135 0.000 1.133 264 F HN 0.523 nan 8.300 nan 0.000 0.495 265 E N 3.659 123.819 120.200 -0.067 0.000 2.283 265 E HA 0.588 4.938 4.350 -0.000 0.000 0.267 265 E C -0.802 175.466 176.600 -0.554 0.000 1.045 265 E CA -0.592 55.621 56.400 -0.312 0.000 0.884 265 E CB 1.582 31.052 29.700 -0.383 0.000 1.106 265 E HN 0.524 nan 8.360 nan 0.000 0.408 266 F N -1.751 117.552 119.950 -1.078 0.000 2.824 266 F HA 0.672 5.198 4.527 -0.000 0.000 0.330 266 F C -0.989 173.854 175.800 -1.594 0.000 1.175 266 F CA -1.153 55.909 58.000 -1.562 0.000 0.974 266 F CB 1.209 39.834 39.000 -0.624 0.000 1.430 266 F HN 0.325 nan 8.300 nan 0.000 0.507 267 W N 0.692 121.749 121.300 -0.405 0.000 2.929 267 W HA 0.212 4.872 4.660 -0.000 0.000 0.345 267 W C 0.053 176.239 176.519 -0.555 0.000 1.151 267 W CA -0.332 56.585 57.345 -0.714 0.000 1.111 267 W CB 1.165 29.764 29.460 -1.436 0.000 1.449 267 W HN 0.708 nan 8.180 nan 0.000 0.572 268 D N -0.899 119.376 120.400 -0.208 0.000 2.348 268 D HA -0.162 4.478 4.640 -0.000 0.000 0.216 268 D C 1.285 177.640 176.300 0.091 0.000 0.970 268 D CA 0.844 54.821 54.000 -0.038 0.000 0.889 268 D CB -0.490 40.325 40.800 0.026 0.000 0.912 268 D HN 0.497 nan 8.370 nan 0.000 0.524 269 W N 0.374 121.801 121.300 0.213 0.000 3.388 269 W HA 0.427 5.087 4.660 -0.000 0.000 0.324 269 W C -0.744 175.887 176.519 0.187 0.000 1.250 269 W CA -0.679 56.747 57.345 0.135 0.000 1.809 269 W CB -0.286 29.206 29.460 0.053 0.000 1.083 269 W HN -0.255 nan 8.180 nan 0.000 0.685 270 V N 2.411 122.506 119.914 0.301 0.000 2.311 270 V HA 0.494 4.613 4.120 -0.000 0.000 0.275 270 V C 0.842 177.131 176.094 0.326 0.000 1.022 270 V CA -0.598 61.925 62.300 0.373 0.000 0.830 270 V CB 0.525 32.549 31.823 0.335 0.000 1.012 270 V HN 0.141 nan 8.190 nan 0.000 0.452 271 G N 3.060 112.085 108.800 0.375 0.000 2.432 271 G HA2 0.422 4.382 3.960 -0.000 0.000 0.257 271 G HA3 0.422 4.382 3.960 -0.000 0.000 0.257 271 G C 1.106 176.162 174.900 0.259 0.000 1.238 271 G CA 0.205 45.516 45.100 0.352 0.000 0.838 271 G HN 0.877 nan 8.290 nan 0.000 0.547 272 G N 1.742 110.628 108.800 0.144 0.000 2.476 272 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 272 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 272 G C 1.655 176.526 174.900 -0.050 0.000 1.164 272 G CA 0.941 46.060 45.100 0.031 0.000 0.768 272 G HN 0.777 nan 8.290 nan 0.000 0.560 273 R N -0.932 119.499 120.500 -0.114 0.000 2.323 273 R HA 0.157 4.497 4.340 -0.000 0.000 0.198 273 R C 0.309 176.285 176.300 -0.539 0.000 0.988 273 R CA 0.472 56.346 56.100 -0.377 0.000 1.041 273 R CB -0.271 29.732 30.300 -0.496 0.000 0.926 273 R HN 0.468 nan 8.270 nan 0.000 0.476 274 Y N 0.404 120.714 120.300 0.016 0.000 2.721 274 Y HA 0.182 4.731 4.550 -0.000 0.000 0.251 274 Y C 1.224 177.251 175.900 0.210 0.000 1.136 274 Y CA -0.364 57.781 58.100 0.074 0.000 1.142 274 Y CB 1.313 39.691 38.460 -0.137 0.000 1.212 274 Y HN 0.197 nan 8.280 nan 0.000 0.565 275 S N -0.646 115.142 115.700 0.146 0.000 2.524 275 S HA -0.025 4.445 4.470 -0.000 0.000 0.215 275 S C 1.611 176.165 174.600 -0.076 0.000 0.986 275 S CA 0.056 58.287 58.200 0.051 0.000 0.911 275 S CB -0.508 62.606 63.200 -0.144 0.000 0.805 275 S HN 0.458 nan 8.310 nan 0.000 0.501 276 L N -1.568 119.497 121.223 -0.263 0.000 2.353 276 L HA 0.296 4.636 4.340 -0.000 0.000 0.220 276 L C 1.702 178.409 176.870 -0.272 0.000 1.133 276 L CA 0.875 55.481 54.840 -0.391 0.000 0.798 276 L CB -1.461 40.228 42.059 -0.616 0.000 0.922 276 L HN 0.363 nan 8.230 nan 0.000 0.445 277 W N 0.625 121.994 121.300 0.115 0.000 2.905 277 W HA 0.258 4.918 4.660 -0.000 0.000 0.251 277 W C 1.752 178.438 176.519 0.278 0.000 1.305 277 W CA 0.295 57.718 57.345 0.131 0.000 1.465 277 W CB -0.639 28.876 29.460 0.091 0.000 1.122 277 W HN 0.343 nan 8.180 nan 0.000 0.659 278 S N 0.221 116.146 115.700 0.374 0.000 2.590 278 S HA 0.669 5.139 4.470 -0.000 0.000 0.282 278 S C 1.647 176.344 174.600 0.162 0.000 1.136 278 S CA -0.101 58.278 58.200 0.299 0.000 1.030 278 S CB 0.463 63.749 63.200 0.143 0.000 1.195 278 S HN 0.012 nan 8.310 nan 0.000 0.506 279 A N 0.351 123.207 122.820 0.060 0.000 1.986 279 A HA -0.055 4.264 4.320 -0.000 0.000 0.220 279 A C 2.058 179.538 177.584 -0.173 0.000 1.171 279 A CA 1.481 53.506 52.037 -0.021 0.000 0.640 279 A CB -1.209 17.842 19.000 0.086 0.000 0.811 279 A HN 0.715 nan 8.150 nan 0.000 0.451 280 I N -0.032 120.359 120.570 -0.299 0.000 2.530 280 I HA -0.206 3.964 4.170 -0.000 0.000 0.257 280 I C 2.291 178.291 176.117 -0.195 0.000 1.179 280 I CA 1.454 62.571 61.300 -0.306 0.000 1.440 280 I CB -1.658 36.085 38.000 -0.427 0.000 1.087 280 I HN 0.379 nan 8.210 nan 0.000 0.440 281 G N 0.110 108.824 108.800 -0.143 0.000 3.026 281 G HA2 -0.043 3.916 3.960 -0.000 0.000 0.208 281 G HA3 -0.043 3.916 3.960 -0.000 0.000 0.208 281 G C 1.579 176.261 174.900 -0.363 0.000 1.169 281 G CA -0.179 44.835 45.100 -0.143 0.000 0.788 281 G HN 0.269 nan 8.290 nan 0.000 0.533 282 L N 2.103 123.111 121.223 -0.358 0.000 2.043 282 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 282 L C 3.075 179.771 176.870 -0.291 0.000 1.075 282 L CA 2.636 57.229 54.840 -0.411 0.000 0.752 282 L CB -0.589 41.163 42.059 -0.511 0.000 0.891 282 L HN 0.324 nan 8.230 nan 0.000 0.432 283 S N -1.051 114.531 115.700 -0.197 0.000 2.399 283 S HA -0.203 4.267 4.470 -0.000 0.000 0.231 283 S C 2.027 176.601 174.600 -0.043 0.000 1.022 283 S CA 1.544 59.675 58.200 -0.115 0.000 0.983 283 S CB -1.031 62.123 63.200 -0.077 0.000 0.803 283 S HN 0.537 nan 8.310 nan 0.000 0.480 284 I N 2.379 122.915 120.570 -0.056 0.000 2.163 284 I HA -0.124 4.046 4.170 -0.000 0.000 0.240 284 I C 3.121 179.237 176.117 -0.001 0.000 1.081 284 I CA 1.199 62.511 61.300 0.020 0.000 1.353 284 I CB -0.747 37.299 38.000 0.077 0.000 1.054 284 I HN 0.417 nan 8.210 nan 0.000 0.407 285 A N 0.864 123.556 122.820 -0.212 0.000 1.933 285 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 285 A C 2.320 179.892 177.584 -0.019 0.000 1.175 285 A CA 1.452 53.400 52.037 -0.149 0.000 0.628 285 A CB -0.896 17.907 19.000 -0.329 0.000 0.814 285 A HN 0.381 nan 8.150 nan 0.000 0.444 286 L N -1.722 119.470 121.223 -0.051 0.000 2.046 286 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 286 L C 2.696 179.592 176.870 0.044 0.000 1.077 286 L CA 1.818 56.642 54.840 -0.027 0.000 0.747 286 L CB -0.552 41.466 42.059 -0.068 0.000 0.896 286 L HN 0.630 nan 8.230 nan 0.000 0.432 287 H N -0.652 118.392 119.070 -0.044 0.000 2.343 287 H HA -0.073 4.482 4.556 -0.000 0.000 0.303 287 H C 1.928 177.259 175.328 0.004 0.000 1.068 287 H CA 1.846 57.880 56.048 -0.023 0.000 1.359 287 H CB 0.544 30.299 29.762 -0.011 0.000 1.402 287 H HN 0.267 nan 8.280 nan 0.000 0.515 288 V N -2.109 117.815 119.914 0.016 0.000 3.621 288 V HA 0.439 4.559 4.120 -0.000 0.000 0.285 288 V C 0.705 176.816 176.094 0.028 0.000 1.346 288 V CA 0.482 62.768 62.300 -0.022 0.000 1.104 288 V CB 0.119 31.962 31.823 0.034 0.000 0.913 288 V HN 0.625 nan 8.190 nan 0.000 0.432 289 G N -0.188 108.643 108.800 0.051 0.000 2.675 289 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 289 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 289 G C -0.433 174.559 174.900 0.153 0.000 1.215 289 G CA -0.050 45.105 45.100 0.091 0.000 0.777 289 G HN 0.361 nan 8.290 nan 0.000 0.638 290 F N 0.920 120.906 119.950 0.059 0.000 2.234 290 F HA 0.017 4.543 4.527 -0.000 0.000 0.299 290 F C 2.278 178.172 175.800 0.158 0.000 1.087 290 F CA 2.354 60.425 58.000 0.119 0.000 1.340 290 F CB 0.070 39.126 39.000 0.092 0.000 1.031 290 F HN 0.527 nan 8.300 nan 0.000 0.500 291 D N 0.002 120.500 120.400 0.163 0.000 2.104 291 D HA -0.210 4.430 4.640 -0.000 0.000 0.194 291 D C 1.885 178.173 176.300 -0.021 0.000 0.994 291 D CA 1.731 55.774 54.000 0.070 0.000 0.830 291 D CB -0.662 40.191 40.800 0.087 0.000 0.959 291 D HN 0.410 nan 8.370 nan 0.000 0.452 292 N N -0.793 117.904 118.700 -0.004 0.000 2.188 292 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 292 N C 1.556 177.028 175.510 -0.063 0.000 1.018 292 N CA 0.253 53.270 53.050 -0.054 0.000 0.858 292 N CB -0.130 38.328 38.487 -0.048 0.000 0.989 292 N HN 0.029 nan 8.380 nan 0.000 0.426 293 F N 2.281 122.101 119.950 -0.217 0.000 2.134 293 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 293 F C 2.056 177.679 175.800 -0.296 0.000 1.097 293 F CA 1.407 59.245 58.000 -0.269 0.000 1.264 293 F CB -0.092 38.690 39.000 -0.363 0.000 1.001 293 F HN 0.041 nan 8.300 nan 0.000 0.479 294 E N -0.595 119.394 120.200 -0.352 0.000 2.110 294 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 294 E C 2.184 178.680 176.600 -0.173 0.000 0.988 294 E CA 1.103 57.326 56.400 -0.295 0.000 0.804 294 E CB -0.175 29.412 29.700 -0.188 0.000 0.745 294 E HN 0.456 nan 8.360 nan 0.000 0.458 295 Q N 0.428 120.153 119.800 -0.125 0.000 2.084 295 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 295 Q C 2.388 178.343 176.000 -0.074 0.000 0.978 295 Q CA 0.782 56.560 55.803 -0.042 0.000 0.844 295 Q CB -0.418 28.285 28.738 -0.057 0.000 0.898 295 Q HN 0.254 nan 8.270 nan 0.000 0.426 296 L N 0.627 121.752 121.223 -0.165 0.000 2.012 296 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 296 L C 2.166 178.980 176.870 -0.094 0.000 1.073 296 L CA 1.572 56.319 54.840 -0.155 0.000 0.748 296 L CB -0.641 41.281 42.059 -0.229 0.000 0.891 296 L HN 0.147 nan 8.230 nan 0.000 0.431 297 L N -1.298 119.801 121.223 -0.206 0.000 2.046 297 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 297 L C 2.482 179.290 176.870 -0.103 0.000 1.077 297 L CA 1.427 56.185 54.840 -0.135 0.000 0.747 297 L CB -0.763 41.169 42.059 -0.212 0.000 0.896 297 L HN 0.258 nan 8.230 nan 0.000 0.432 298 S N 0.102 115.759 115.700 -0.072 0.000 2.382 298 S HA -0.116 4.353 4.470 -0.000 0.000 0.228 298 S C 2.006 176.510 174.600 -0.159 0.000 1.027 298 S CA 1.172 59.400 58.200 0.046 0.000 0.991 298 S CB -0.486 62.833 63.200 0.198 0.000 0.823 298 S HN 0.617 nan 8.310 nan 0.000 0.469 299 G N 1.325 109.736 108.800 -0.648 0.000 2.402 299 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.216 299 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.216 299 G C 1.563 176.218 174.900 -0.408 0.000 1.162 299 G CA 0.802 45.157 45.100 -1.241 0.000 0.777 299 G HN 0.565 nan 8.290 nan 0.000 0.539 300 A N 0.426 123.100 122.820 -0.242 0.000 1.902 300 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 300 A C 2.123 179.661 177.584 -0.077 0.000 1.181 300 A CA 2.125 54.019 52.037 -0.239 0.000 0.623 300 A CB -0.806 17.756 19.000 -0.730 0.000 0.818 300 A HN 0.495 nan 8.150 nan 0.000 0.443 301 H N -2.176 116.817 119.070 -0.128 0.000 2.352 301 H HA -0.205 4.351 4.556 -0.000 0.000 0.299 301 H C 1.745 177.116 175.328 0.072 0.000 1.097 301 H CA 2.071 58.108 56.048 -0.019 0.000 1.311 301 H CB -0.472 29.290 29.762 0.000 0.000 1.377 301 H HN 0.689 nan 8.280 nan 0.000 0.504 302 W N 0.146 121.399 121.300 -0.078 0.000 2.335 302 W HA -0.269 4.391 4.660 -0.000 0.000 0.311 302 W C 2.390 178.903 176.519 -0.010 0.000 1.213 302 W CA 1.999 59.325 57.345 -0.032 0.000 1.274 302 W CB -0.321 29.194 29.460 0.091 0.000 1.148 302 W HN 0.295 nan 8.180 nan 0.000 0.498 303 M N 0.959 120.769 119.600 0.349 0.000 2.175 303 M HA -0.165 4.315 4.480 -0.000 0.000 0.264 303 M C 1.399 177.826 176.300 0.211 0.000 1.063 303 M CA 2.036 57.522 55.300 0.309 0.000 1.119 303 M CB -0.831 31.945 32.600 0.293 0.000 1.377 303 M HN -0.123 nan 8.290 nan 0.000 0.415 304 D N -0.238 120.275 120.400 0.187 0.000 2.123 304 D HA -0.183 4.456 4.640 -0.000 0.000 0.196 304 D C 1.978 178.289 176.300 0.019 0.000 0.992 304 D CA 1.228 55.413 54.000 0.308 0.000 0.833 304 D CB -0.314 40.681 40.800 0.325 0.000 0.954 304 D HN 0.408 nan 8.370 nan 0.000 0.455 305 Q N -0.178 119.477 119.800 -0.242 0.000 2.079 305 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 305 Q C 2.098 177.865 176.000 -0.387 0.000 0.974 305 Q CA 1.130 56.696 55.803 -0.396 0.000 0.840 305 Q CB -0.917 27.519 28.738 -0.503 0.000 0.898 305 Q HN 0.594 nan 8.270 nan 0.000 0.430 306 H N 0.071 118.834 119.070 -0.512 0.000 2.319 306 H HA -0.168 4.388 4.556 -0.000 0.000 0.299 306 H C 1.705 176.946 175.328 -0.145 0.000 1.092 306 H CA 1.776 57.580 56.048 -0.408 0.000 1.302 306 H CB -0.302 29.201 29.762 -0.433 0.000 1.373 306 H HN 0.190 nan 8.280 nan 0.000 0.497 307 F N 1.308 121.151 119.950 -0.179 0.000 2.134 307 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 307 F C 2.513 178.093 175.800 -0.367 0.000 1.097 307 F CA 1.606 59.477 58.000 -0.214 0.000 1.264 307 F CB -0.520 38.359 39.000 -0.202 0.000 1.001 307 F HN 0.081 nan 8.300 nan 0.000 0.479 308 R N -0.668 119.490 120.500 -0.570 0.000 2.115 308 R HA -0.076 4.264 4.340 -0.000 0.000 0.226 308 R C 1.881 177.847 176.300 -0.557 0.000 1.100 308 R CA 1.779 57.402 56.100 -0.794 0.000 0.980 308 R CB -0.305 29.452 30.300 -0.905 0.000 0.875 308 R HN 0.474 nan 8.270 nan 0.000 0.445 309 T N -3.657 110.628 114.554 -0.449 0.000 3.023 309 T HA 0.136 4.486 4.350 -0.000 0.000 0.253 309 T C 0.567 175.076 174.700 -0.319 0.000 1.038 309 T CA -0.219 61.668 62.100 -0.355 0.000 0.962 309 T CB 0.543 69.226 68.868 -0.310 0.000 1.018 309 T HN -0.145 nan 8.240 nan 0.000 0.521 310 T N 4.896 119.221 114.554 -0.381 0.000 2.817 310 T HA 0.452 4.801 4.350 -0.000 0.000 0.293 310 T C -2.681 171.869 174.700 -0.249 0.000 0.964 310 T CA -1.088 60.806 62.100 -0.343 0.000 1.085 310 T CB 1.131 69.659 68.868 -0.567 0.000 0.921 310 T HN 0.132 nan 8.240 nan 0.000 0.502 311 P HA 0.091 nan 4.420 nan 0.000 0.264 311 P C 1.098 178.326 177.300 -0.121 0.000 1.183 311 P CA -0.054 62.962 63.100 -0.140 0.000 0.763 311 P CB 0.428 32.061 31.700 -0.112 0.000 0.807 312 L N 2.408 123.567 121.223 -0.107 0.000 2.064 312 L HA -0.262 4.078 4.340 -0.000 0.000 0.216 312 L C 2.262 179.089 176.870 -0.071 0.000 1.077 312 L CA 1.841 56.633 54.840 -0.079 0.000 0.766 312 L CB -0.935 41.079 42.059 -0.075 0.000 0.890 312 L HN 0.526 nan 8.230 nan 0.000 0.435 313 E N 0.007 120.161 120.200 -0.076 0.000 2.401 313 E HA -0.190 4.160 4.350 -0.000 0.000 0.199 313 E C 0.802 177.374 176.600 -0.047 0.000 1.023 313 E CA 0.965 57.323 56.400 -0.070 0.000 0.859 313 E CB -0.071 29.583 29.700 -0.076 0.000 0.780 313 E HN 0.423 nan 8.360 nan 0.000 0.523 314 K N 0.797 121.175 120.400 -0.038 0.000 2.564 314 K HA 0.163 4.483 4.320 -0.000 0.000 0.201 314 K C -0.130 176.498 176.600 0.045 0.000 1.086 314 K CA -0.307 55.987 56.287 0.012 0.000 1.062 314 K CB 0.326 32.831 32.500 0.008 0.000 0.849 314 K HN -0.024 nan 8.250 nan 0.000 0.529 315 N N 1.443 120.148 118.700 0.009 0.000 2.420 315 N HA 0.176 4.916 4.740 -0.000 0.000 0.249 315 N C 0.814 176.432 175.510 0.180 0.000 1.033 315 N CA 0.187 53.268 53.050 0.052 0.000 0.944 315 N CB 1.565 40.047 38.487 -0.008 0.000 1.113 315 N HN 0.077 nan 8.380 nan 0.000 0.502 316 A N 6.961 130.043 122.820 0.436 0.000 1.859 316 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 316 A C -0.599 177.013 177.584 0.046 0.000 1.198 316 A CA 1.449 53.594 52.037 0.181 0.000 0.629 316 A CB -1.400 17.661 19.000 0.102 0.000 0.830 316 A HN 0.622 nan 8.150 nan 0.000 0.446 317 P HA -0.087 nan 4.420 nan 0.000 0.216 317 P C 1.629 178.895 177.300 -0.055 0.000 1.150 317 P CA 1.435 64.496 63.100 -0.066 0.000 0.837 317 P CB -0.292 31.322 31.700 -0.143 0.000 0.786 318 V N 0.010 119.937 119.914 0.021 0.000 2.307 318 V HA -0.208 3.911 4.120 -0.000 0.000 0.245 318 V C 2.680 178.732 176.094 -0.070 0.000 1.045 318 V CA 1.573 63.879 62.300 0.010 0.000 1.024 318 V CB -1.276 30.581 31.823 0.057 0.000 0.651 318 V HN 0.023 nan 8.190 nan 0.000 0.449 319 L N -0.731 120.427 121.223 -0.108 0.000 2.056 319 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 319 L C 2.443 179.208 176.870 -0.175 0.000 1.078 319 L CA 1.405 56.115 54.840 -0.216 0.000 0.749 319 L CB -0.591 41.218 42.059 -0.416 0.000 0.901 319 L HN 0.295 nan 8.230 nan 0.000 0.433 320 L N -0.212 120.935 121.223 -0.127 0.000 2.042 320 L HA -0.225 4.114 4.340 -0.000 0.000 0.210 320 L C 2.931 179.768 176.870 -0.054 0.000 1.076 320 L CA 1.244 56.042 54.840 -0.070 0.000 0.749 320 L CB -0.799 41.192 42.059 -0.114 0.000 0.893 320 L HN 0.258 nan 8.230 nan 0.000 0.432 321 A N 0.274 123.041 122.820 -0.088 0.000 1.858 321 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 321 A C 2.259 179.783 177.584 -0.101 0.000 1.190 321 A CA 1.541 53.513 52.037 -0.109 0.000 0.617 321 A CB -0.777 18.143 19.000 -0.134 0.000 0.827 321 A HN 0.346 nan 8.150 nan 0.000 0.443 322 L N -0.718 120.447 121.223 -0.097 0.000 2.046 322 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 322 L C 2.599 179.456 176.870 -0.020 0.000 1.077 322 L CA 1.192 55.983 54.840 -0.083 0.000 0.747 322 L CB -0.603 41.387 42.059 -0.115 0.000 0.896 322 L HN 0.377 nan 8.230 nan 0.000 0.432 323 L N -0.485 120.732 121.223 -0.009 0.000 2.079 323 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 323 L C 2.661 179.633 176.870 0.170 0.000 1.081 323 L CA 1.406 56.285 54.840 0.064 0.000 0.752 323 L CB -1.120 41.032 42.059 0.156 0.000 0.896 323 L HN 0.325 nan 8.230 nan 0.000 0.433 324 G N 0.183 109.091 108.800 0.179 0.000 2.421 324 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 324 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 324 G C 1.524 176.581 174.900 0.262 0.000 1.171 324 G CA 0.442 45.687 45.100 0.241 0.000 0.775 324 G HN 0.144 nan 8.290 nan 0.000 0.543 325 I N -0.047 120.614 120.570 0.151 0.000 2.163 325 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 325 I C 2.411 178.722 176.117 0.323 0.000 1.085 325 I CA 0.938 62.355 61.300 0.196 0.000 1.347 325 I CB -1.129 36.889 38.000 0.031 0.000 1.044 325 I HN 0.482 nan 8.210 nan 0.000 0.408 326 W N 1.196 122.511 121.300 0.024 0.000 2.333 326 W HA -0.322 4.338 4.660 -0.000 0.000 0.316 326 W C 2.622 179.212 176.519 0.118 0.000 1.215 326 W CA 1.401 58.737 57.345 -0.015 0.000 1.278 326 W CB -0.453 28.886 29.460 -0.202 0.000 1.154 326 W HN 0.088 nan 8.180 nan 0.000 0.486 327 Y N 0.416 120.907 120.300 0.318 0.000 2.242 327 Y HA -0.177 4.373 4.550 -0.000 0.000 0.291 327 Y C 2.450 178.466 175.900 0.194 0.000 1.137 327 Y CA 1.516 59.735 58.100 0.198 0.000 1.181 327 Y CB -1.090 37.466 38.460 0.160 0.000 0.989 327 Y HN -0.054 nan 8.280 nan 0.000 0.527 328 I N -0.428 120.362 120.570 0.367 0.000 2.296 328 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 328 I C 1.366 177.626 176.117 0.239 0.000 1.087 328 I CA 1.446 62.931 61.300 0.308 0.000 1.393 328 I CB -0.266 37.972 38.000 0.397 0.000 1.093 328 I HN 0.156 nan 8.210 nan 0.000 0.421 329 N N -0.971 117.894 118.700 0.276 0.000 2.424 329 N HA -0.003 4.736 4.740 -0.000 0.000 0.178 329 N C 1.495 177.069 175.510 0.106 0.000 1.060 329 N CA 0.455 53.674 53.050 0.281 0.000 0.901 329 N CB 0.285 39.042 38.487 0.450 0.000 0.979 329 N HN 0.297 nan 8.380 nan 0.000 0.451 330 C N -1.002 118.220 119.300 -0.131 0.000 2.426 330 C HA 0.255 4.715 4.460 -0.000 0.000 0.318 330 C C 1.858 176.264 174.990 -0.973 0.000 1.451 330 C CA -0.194 58.384 59.018 -0.733 0.000 2.090 330 C CB -0.931 26.152 27.740 -1.094 0.000 2.151 330 C HN 0.338 nan 8.230 nan 0.000 0.608 331 F N 1.385 120.995 119.950 -0.567 0.000 2.558 331 F HA 0.219 4.746 4.527 -0.000 0.000 0.298 331 F C 2.079 177.850 175.800 -0.048 0.000 1.119 331 F CA 1.400 59.269 58.000 -0.219 0.000 1.451 331 F CB -0.443 38.557 39.000 -0.001 0.000 1.091 331 F HN 0.440 nan 8.300 nan 0.000 0.563 332 G N -0.091 108.787 108.800 0.130 0.000 2.147 332 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 332 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 332 G C -0.014 174.971 174.900 0.141 0.000 1.005 332 G CA -0.139 45.032 45.100 0.118 0.000 0.713 332 G HN 0.293 nan 8.290 nan 0.000 0.515 333 C N 0.712 120.124 119.300 0.187 0.000 2.648 333 C HA 0.302 4.761 4.460 -0.000 0.000 0.415 333 C C 1.861 176.938 174.990 0.144 0.000 1.366 333 C CA 0.008 59.118 59.018 0.154 0.000 1.756 333 C CB 0.321 28.155 27.740 0.157 0.000 2.549 333 C HN 0.622 nan 8.230 nan 0.000 0.597 334 E N 0.624 120.886 120.200 0.105 0.000 2.216 334 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 334 E C 1.148 177.823 176.600 0.125 0.000 0.988 334 E CA 0.961 57.412 56.400 0.085 0.000 0.834 334 E CB 0.271 29.992 29.700 0.035 0.000 0.772 334 E HN 0.903 nan 8.360 nan 0.000 0.479 335 T N -2.258 112.400 114.554 0.174 0.000 2.907 335 T HA 0.427 4.777 4.350 -0.000 0.000 0.290 335 T C -1.102 173.800 174.700 0.338 0.000 1.066 335 T CA -0.910 61.355 62.100 0.276 0.000 1.012 335 T CB 2.151 71.223 68.868 0.340 0.000 1.184 335 T HN 0.034 nan 8.240 nan 0.000 0.522 336 H N -0.023 119.190 119.070 0.238 0.000 3.018 336 H HA 0.658 5.214 4.556 -0.000 0.000 0.334 336 H C -0.762 174.512 175.328 -0.090 0.000 0.983 336 H CA -0.151 55.959 56.048 0.104 0.000 1.363 336 H CB 1.095 30.933 29.762 0.127 0.000 1.668 336 H HN 1.059 nan 8.280 nan 0.000 0.513 337 A N 5.779 128.201 122.820 -0.664 0.000 2.301 337 A HA 0.549 4.869 4.320 -0.000 0.000 0.298 337 A C -0.450 176.728 177.584 -0.676 0.000 1.185 337 A CA -0.659 50.799 52.037 -0.964 0.000 0.830 337 A CB 0.265 18.574 19.000 -1.151 0.000 1.112 337 A HN 0.772 nan 8.150 nan 0.000 0.508 338 M N 3.259 122.588 119.600 -0.452 0.000 2.114 338 M HA 0.380 4.860 4.480 -0.000 0.000 0.332 338 M C -1.155 175.072 176.300 -0.122 0.000 1.014 338 M CA 0.189 55.384 55.300 -0.175 0.000 0.956 338 M CB 1.127 33.719 32.600 -0.014 0.000 1.551 338 M HN 0.533 nan 8.290 nan 0.000 0.427 339 L N 5.773 126.928 121.223 -0.114 0.000 2.495 339 L HA 0.420 4.760 4.340 -0.000 0.000 0.248 339 L C -2.371 174.570 176.870 0.119 0.000 1.229 339 L CA -1.742 53.035 54.840 -0.105 0.000 0.942 339 L CB 0.639 42.427 42.059 -0.452 0.000 1.242 339 L HN 0.325 nan 8.230 nan 0.000 0.484 340 P HA 0.064 nan 4.420 nan 0.000 0.282 340 P C -0.844 176.615 177.300 0.266 0.000 1.262 340 P CA -0.139 63.106 63.100 0.241 0.000 0.773 340 P CB 0.485 32.252 31.700 0.110 0.000 0.879 341 Y N 2.760 123.168 120.300 0.179 0.000 2.667 341 Y HA 0.255 4.805 4.550 -0.000 0.000 0.340 341 Y C 0.651 176.617 175.900 0.110 0.000 1.303 341 Y CA 0.359 58.554 58.100 0.158 0.000 1.769 341 Y CB -0.288 38.320 38.460 0.247 0.000 1.804 341 Y HN 0.348 nan 8.280 nan 0.000 0.451 342 D N 1.137 121.624 120.400 0.144 0.000 2.484 342 D HA -0.011 4.628 4.640 -0.000 0.000 0.206 342 D C 0.314 176.676 176.300 0.103 0.000 1.322 342 D CA -0.136 53.950 54.000 0.144 0.000 0.913 342 D CB 1.273 42.191 40.800 0.198 0.000 1.559 342 D HN 0.273 nan 8.370 nan 0.000 0.565 343 Q N 2.656 122.469 119.800 0.021 0.000 2.170 343 Q HA -0.101 4.239 4.340 -0.000 0.000 0.203 343 Q C 1.101 177.149 176.000 0.079 0.000 0.976 343 Q CA 1.629 57.415 55.803 -0.028 0.000 0.858 343 Q CB -0.139 28.491 28.738 -0.180 0.000 0.907 343 Q HN 0.687 nan 8.270 nan 0.000 0.433 344 Y N -0.604 119.777 120.300 0.136 0.000 2.274 344 Y HA -0.112 4.438 4.550 -0.000 0.000 0.290 344 Y C 1.150 177.176 175.900 0.210 0.000 1.145 344 Y CA 0.395 58.602 58.100 0.177 0.000 1.203 344 Y CB 0.214 38.762 38.460 0.147 0.000 0.984 344 Y HN 0.059 nan 8.280 nan 0.000 0.533 345 L N 0.828 122.233 121.223 0.303 0.000 2.682 345 L HA -0.038 4.302 4.340 -0.000 0.000 0.240 345 L C 1.626 178.625 176.870 0.215 0.000 1.178 345 L CA 0.099 55.060 54.840 0.202 0.000 0.970 345 L CB -0.710 41.394 42.059 0.075 0.000 1.179 345 L HN 0.488 nan 8.230 nan 0.000 0.435 346 H N -1.557 117.587 119.070 0.123 0.000 2.518 346 H HA -0.050 4.506 4.556 -0.000 0.000 0.289 346 H C 1.600 176.993 175.328 0.108 0.000 1.051 346 H CA 0.684 56.789 56.048 0.095 0.000 1.280 346 H CB 0.084 29.881 29.762 0.058 0.000 1.380 346 H HN 0.083 nan 8.280 nan 0.000 0.566 347 R N -0.423 119.899 120.500 -0.297 0.000 2.509 347 R HA 0.093 4.433 4.340 -0.000 0.000 0.300 347 R C 0.715 177.013 176.300 -0.003 0.000 0.985 347 R CA -0.203 55.770 56.100 -0.213 0.000 1.092 347 R CB -0.698 29.376 30.300 -0.377 0.000 1.237 347 R HN 0.355 nan 8.270 nan 0.000 0.546 348 F N 1.919 121.839 119.950 -0.049 0.000 2.113 348 F HA -0.129 4.398 4.527 -0.000 0.000 0.297 348 F C 2.177 178.046 175.800 0.115 0.000 1.103 348 F CA 1.722 59.742 58.000 0.034 0.000 1.248 348 F CB -0.025 39.021 39.000 0.077 0.000 0.999 348 F HN 0.100 nan 8.300 nan 0.000 0.475 349 A N 0.303 123.259 122.820 0.226 0.000 1.902 349 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 349 A C 2.381 179.988 177.584 0.038 0.000 1.181 349 A CA 1.818 53.922 52.037 0.111 0.000 0.623 349 A CB -1.583 17.478 19.000 0.101 0.000 0.818 349 A HN 0.489 nan 8.150 nan 0.000 0.443 350 A N -1.522 121.311 122.820 0.020 0.000 1.933 350 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 350 A C 2.122 179.645 177.584 -0.100 0.000 1.175 350 A CA 1.716 53.737 52.037 -0.026 0.000 0.628 350 A CB -0.812 18.169 19.000 -0.031 0.000 0.814 350 A HN 0.758 nan 8.150 nan 0.000 0.444 351 Y N -0.709 119.421 120.300 -0.284 0.000 2.145 351 Y HA -0.204 4.345 4.550 -0.000 0.000 0.286 351 Y C 1.808 177.369 175.900 -0.564 0.000 1.145 351 Y CA 1.906 59.720 58.100 -0.477 0.000 1.148 351 Y CB -0.468 37.586 38.460 -0.676 0.000 0.981 351 Y HN 0.286 nan 8.280 nan 0.000 0.507 352 F N 0.279 120.037 119.950 -0.321 0.000 2.661 352 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 352 F C 2.341 177.988 175.800 -0.254 0.000 1.137 352 F CA 0.783 58.563 58.000 -0.366 0.000 1.454 352 F CB -0.203 38.574 39.000 -0.372 0.000 1.103 352 F HN 0.133 nan 8.300 nan 0.000 0.577 353 Q N 0.001 119.755 119.800 -0.077 0.000 2.096 353 Q HA -0.295 4.045 4.340 -0.000 0.000 0.204 353 Q C 2.222 178.149 176.000 -0.122 0.000 0.982 353 Q CA 1.877 57.649 55.803 -0.051 0.000 0.850 353 Q CB -0.242 28.474 28.738 -0.037 0.000 0.901 353 Q HN 0.525 nan 8.270 nan 0.000 0.422 354 Q N -0.434 119.215 119.800 -0.251 0.000 2.020 354 Q HA -0.113 4.226 4.340 -0.000 0.000 0.198 354 Q C 2.077 177.880 176.000 -0.329 0.000 0.974 354 Q CA 1.341 56.972 55.803 -0.287 0.000 0.829 354 Q CB -0.259 28.260 28.738 -0.365 0.000 0.894 354 Q HN 0.409 nan 8.270 nan 0.000 0.433 355 G N 0.927 109.414 108.800 -0.521 0.000 2.476 355 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 355 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 355 G C 1.222 176.051 174.900 -0.119 0.000 1.164 355 G CA 1.226 46.044 45.100 -0.469 0.000 0.768 355 G HN 0.430 nan 8.290 nan 0.000 0.560 356 D N 0.098 120.510 120.400 0.021 0.000 2.146 356 D HA 0.025 4.665 4.640 -0.000 0.000 0.209 356 D C 2.780 179.109 176.300 0.049 0.000 0.973 356 D CA 0.620 54.673 54.000 0.089 0.000 0.860 356 D CB -0.202 40.672 40.800 0.123 0.000 1.015 356 D HN 0.283 nan 8.370 nan 0.000 0.465 357 M N 0.403 120.013 119.600 0.018 0.000 2.159 357 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 357 M C 2.195 178.487 176.300 -0.012 0.000 1.063 357 M CA 1.174 56.480 55.300 0.011 0.000 1.110 357 M CB -0.174 32.428 32.600 0.003 0.000 1.374 357 M HN 0.039 nan 8.290 nan 0.000 0.411 358 E N -0.156 120.015 120.200 -0.049 0.000 2.208 358 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 358 E C 1.819 178.401 176.600 -0.029 0.000 0.988 358 E CA 0.906 57.276 56.400 -0.050 0.000 0.828 358 E CB 0.269 29.916 29.700 -0.089 0.000 0.763 358 E HN 0.374 nan 8.360 nan 0.000 0.478 359 S N 0.502 116.188 115.700 -0.023 0.000 2.357 359 S HA -0.033 4.437 4.470 -0.000 0.000 0.221 359 S C 1.308 175.918 174.600 0.016 0.000 1.031 359 S CA 1.086 59.279 58.200 -0.011 0.000 0.982 359 S CB -0.112 63.102 63.200 0.023 0.000 0.853 359 S HN 0.353 nan 8.310 nan 0.000 0.458 360 N N 0.166 118.907 118.700 0.068 0.000 2.187 360 N HA 0.164 4.904 4.740 -0.000 0.000 0.212 360 N C 0.370 175.901 175.510 0.035 0.000 1.152 360 N CA -0.228 52.897 53.050 0.125 0.000 0.872 360 N CB 0.742 39.413 38.487 0.308 0.000 1.025 360 N HN 0.236 nan 8.380 nan 0.000 0.514 361 G N 1.380 110.191 108.800 0.018 0.000 2.985 361 G HA2 0.140 4.100 3.960 -0.000 0.000 0.282 361 G HA3 0.140 4.100 3.960 -0.000 0.000 0.282 361 G C -0.070 174.847 174.900 0.029 0.000 0.791 361 G CA 0.066 45.161 45.100 -0.008 0.000 1.934 361 G HN -0.021 nan 8.290 nan 0.000 0.563 362 K N 0.510 120.930 120.400 0.033 0.000 2.482 362 K HA 0.331 4.651 4.320 -0.000 0.000 0.257 362 K C -0.536 176.156 176.600 0.154 0.000 0.969 362 K CA -0.952 55.407 56.287 0.120 0.000 0.842 362 K CB 2.069 34.632 32.500 0.105 0.000 1.359 362 K HN 0.454 nan 8.250 nan 0.000 0.441 363 Y N -1.366 118.917 120.300 -0.028 0.000 2.666 363 Y HA 0.410 4.960 4.550 -0.000 0.000 0.260 363 Y C -0.239 175.638 175.900 -0.039 0.000 1.089 363 Y CA -0.545 57.513 58.100 -0.070 0.000 1.246 363 Y CB 0.840 39.254 38.460 -0.077 0.000 1.353 363 Y HN 0.158 nan 8.280 nan 0.000 0.558 364 I N 3.376 123.739 120.570 -0.346 0.000 2.378 364 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 364 I C 0.633 176.721 176.117 -0.048 0.000 0.992 364 I CA -0.676 60.439 61.300 -0.308 0.000 1.154 364 I CB 1.503 39.297 38.000 -0.342 0.000 1.315 364 I HN 0.333 nan 8.210 nan 0.000 0.448 365 T N 2.215 116.756 114.554 -0.021 0.000 2.770 365 T HA 0.243 4.592 4.350 -0.000 0.000 0.281 365 T C 1.143 175.891 174.700 0.080 0.000 0.981 365 T CA -0.508 61.633 62.100 0.068 0.000 0.955 365 T CB 1.405 70.302 68.868 0.047 0.000 1.060 365 T HN 0.641 nan 8.240 nan 0.000 0.531 366 K N 0.015 120.435 120.400 0.034 0.000 2.147 366 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 366 K C 2.267 178.761 176.600 -0.177 0.000 1.049 366 K CA 1.466 57.618 56.287 -0.225 0.000 0.936 366 K CB -0.431 31.797 32.500 -0.453 0.000 0.722 366 K HN 0.711 nan 8.250 nan 0.000 0.446 367 S N -1.435 114.213 115.700 -0.087 0.000 2.527 367 S HA 0.110 4.580 4.470 -0.000 0.000 0.222 367 S C 1.359 175.933 174.600 -0.044 0.000 0.985 367 S CA 0.524 58.685 58.200 -0.066 0.000 0.921 367 S CB 0.364 63.538 63.200 -0.043 0.000 0.772 367 S HN 0.522 nan 8.310 nan 0.000 0.529 368 G N 0.284 109.063 108.800 -0.036 0.000 2.195 368 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.224 368 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.224 368 G C 0.173 175.034 174.900 -0.065 0.000 0.990 368 G CA 0.021 45.095 45.100 -0.044 0.000 0.639 368 G HN 0.571 nan 8.290 nan 0.000 0.514 369 T N 1.843 116.367 114.554 -0.051 0.000 2.901 369 T HA 0.414 4.764 4.350 -0.000 0.000 0.301 369 T C 0.720 175.369 174.700 -0.085 0.000 1.012 369 T CA -0.098 61.972 62.100 -0.051 0.000 1.135 369 T CB 1.204 70.058 68.868 -0.024 0.000 0.936 369 T HN 0.467 nan 8.240 nan 0.000 0.539 370 R N 2.591 123.035 120.500 -0.093 0.000 2.491 370 R HA 0.205 4.545 4.340 -0.000 0.000 0.283 370 R C -0.118 176.122 176.300 -0.100 0.000 1.072 370 R CA -0.409 55.617 56.100 -0.123 0.000 1.048 370 R CB 0.374 30.643 30.300 -0.051 0.000 0.983 370 R HN 0.427 nan 8.270 nan 0.000 0.450 371 V N 4.278 124.100 119.914 -0.153 0.000 2.694 371 V HA -0.114 4.006 4.120 -0.000 0.000 0.306 371 V C 0.460 176.393 176.094 -0.269 0.000 1.054 371 V CA 0.932 63.042 62.300 -0.317 0.000 1.161 371 V CB 0.895 32.459 31.823 -0.430 0.000 0.916 371 V HN 0.934 nan 8.190 nan 0.000 0.490 372 D N 3.748 123.983 120.400 -0.275 0.000 2.670 372 D HA 0.212 4.852 4.640 -0.000 0.000 0.255 372 D C -0.213 176.074 176.300 -0.021 0.000 1.286 372 D CA -0.291 53.656 54.000 -0.089 0.000 0.830 372 D CB -0.008 40.804 40.800 0.020 0.000 1.065 372 D HN 0.819 nan 8.370 nan 0.000 0.486 373 H N -3.661 115.403 119.070 -0.010 0.000 2.990 373 H HA 0.508 5.063 4.556 -0.000 0.000 0.336 373 H C -0.619 174.648 175.328 -0.101 0.000 1.306 373 H CA -1.016 55.020 56.048 -0.019 0.000 1.118 373 H CB 0.347 30.099 29.762 -0.018 0.000 1.856 373 H HN -0.294 nan 8.280 nan 0.000 0.538 374 Q N 0.694 120.547 119.800 0.089 0.000 2.392 374 Q HA 0.293 4.633 4.340 -0.000 0.000 0.262 374 Q C 0.310 176.090 176.000 -0.366 0.000 1.003 374 Q CA 0.690 56.440 55.803 -0.088 0.000 0.888 374 Q CB 1.501 30.229 28.738 -0.018 0.000 1.260 374 Q HN 0.982 nan 8.270 nan 0.000 0.435 375 T N -2.510 111.672 114.554 -0.620 0.000 2.664 375 T HA 0.557 4.907 4.350 -0.000 0.000 0.232 375 T C 0.571 174.628 174.700 -1.072 0.000 0.958 375 T CA -0.263 61.012 62.100 -1.375 0.000 1.095 375 T CB -0.314 68.061 68.868 -0.822 0.000 1.938 375 T HN 0.581 nan 8.240 nan 0.000 0.536 376 G N 3.040 111.416 108.800 -0.708 0.000 2.391 376 G HA2 0.453 4.412 3.960 -0.000 0.000 0.234 376 G HA3 0.453 4.412 3.960 -0.000 0.000 0.234 376 G C -2.232 172.651 174.900 -0.028 0.000 1.284 376 G CA -0.651 44.362 45.100 -0.144 0.000 0.873 376 G HN 0.692 nan 8.290 nan 0.000 0.549 377 P HA 0.354 nan 4.420 nan 0.000 0.280 377 P C -0.233 177.143 177.300 0.126 0.000 1.272 377 P CA -0.761 62.418 63.100 0.132 0.000 0.819 377 P CB 1.394 33.226 31.700 0.220 0.000 1.122 378 I N 0.684 121.333 120.570 0.133 0.000 2.379 378 I HA 0.097 4.267 4.170 -0.000 0.000 0.290 378 I C 0.269 176.546 176.117 0.267 0.000 1.063 378 I CA -0.424 60.956 61.300 0.134 0.000 1.351 378 I CB 0.670 38.707 38.000 0.061 0.000 1.410 378 I HN -0.029 nan 8.210 nan 0.000 0.505 379 V N 7.704 127.759 119.914 0.235 0.000 2.509 379 V HA 0.447 4.567 4.120 -0.000 0.000 0.284 379 V C -0.290 175.987 176.094 0.305 0.000 1.047 379 V CA -0.234 62.222 62.300 0.260 0.000 0.952 379 V CB 1.059 32.987 31.823 0.176 0.000 0.988 379 V HN 0.813 nan 8.190 nan 0.000 0.469 380 W N 2.837 124.129 121.300 -0.014 0.000 2.959 380 W HA 0.819 5.479 4.660 -0.000 0.000 0.358 380 W C -0.312 176.166 176.519 -0.068 0.000 1.228 380 W CA -0.593 56.713 57.345 -0.064 0.000 1.183 380 W CB 1.203 30.586 29.460 -0.128 0.000 1.467 380 W HN 1.060 nan 8.180 nan 0.000 0.578 381 G N 0.808 109.579 108.800 -0.049 0.000 2.353 381 G HA2 0.348 4.308 3.960 -0.000 0.000 0.308 381 G HA3 0.348 4.308 3.960 -0.000 0.000 0.308 381 G C -2.001 172.977 174.900 0.129 0.000 1.418 381 G CA -0.904 44.088 45.100 -0.180 0.000 0.966 381 G HN 0.542 nan 8.290 nan 0.000 0.638 382 E N 0.053 120.417 120.200 0.273 0.000 2.393 382 E HA 0.564 4.914 4.350 -0.000 0.000 0.273 382 E C -2.571 174.098 176.600 0.115 0.000 0.918 382 E CA -1.463 55.076 56.400 0.231 0.000 0.773 382 E CB 2.987 32.872 29.700 0.308 0.000 1.275 382 E HN 0.405 nan 8.360 nan 0.000 0.451 383 P HA 0.091 nan 4.420 nan 0.000 0.269 383 P C 0.048 177.200 177.300 -0.246 0.000 1.209 383 P CA -0.137 62.941 63.100 -0.037 0.000 0.776 383 P CB 0.561 32.278 31.700 0.029 0.000 0.876 384 G N 0.645 109.099 108.800 -0.576 0.000 2.444 384 G HA2 0.338 4.298 3.960 -0.000 0.000 0.268 384 G HA3 0.338 4.298 3.960 -0.000 0.000 0.268 384 G C 0.992 175.477 174.900 -0.692 0.000 1.203 384 G CA -0.352 44.060 45.100 -1.145 0.000 0.835 384 G HN 0.543 nan 8.290 nan 0.000 0.543 385 T N -1.020 113.271 114.554 -0.438 0.000 3.169 385 T HA 0.012 4.362 4.350 -0.000 0.000 0.250 385 T C 1.462 175.926 174.700 -0.392 0.000 1.111 385 T CA 0.309 62.124 62.100 -0.475 0.000 1.010 385 T CB -0.317 68.437 68.868 -0.189 0.000 0.984 385 T HN 0.556 nan 8.240 nan 0.000 0.537 386 N N 1.856 120.400 118.700 -0.261 0.000 2.025 386 N HA -0.066 4.674 4.740 -0.000 0.000 0.194 386 N C 2.245 177.580 175.510 -0.291 0.000 1.044 386 N CA 1.157 54.112 53.050 -0.159 0.000 0.851 386 N CB -0.538 37.901 38.487 -0.081 0.000 1.036 386 N HN 0.523 nan 8.380 nan 0.000 0.422 387 G N 0.767 109.341 108.800 -0.376 0.000 2.448 387 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 387 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 387 G C 1.321 175.476 174.900 -1.241 0.000 1.127 387 G CA 0.433 45.127 45.100 -0.677 0.000 0.766 387 G HN 0.344 nan 8.290 nan 0.000 0.552 388 Q N -0.419 118.588 119.800 -1.322 0.000 2.170 388 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 388 Q C 1.635 176.965 176.000 -1.117 0.000 0.976 388 Q CA 0.993 55.589 55.803 -2.011 0.000 0.858 388 Q CB -0.080 27.810 28.738 -1.413 0.000 0.907 388 Q HN 0.576 nan 8.270 nan 0.000 0.433 389 H N -1.425 117.341 119.070 -0.506 0.000 2.526 389 H HA 0.266 4.822 4.556 -0.000 0.000 0.274 389 H C 0.822 176.037 175.328 -0.189 0.000 0.999 389 H CA 0.662 56.553 56.048 -0.262 0.000 1.157 389 H CB 0.671 30.323 29.762 -0.182 0.000 1.407 389 H HN 0.371 nan 8.280 nan 0.000 0.568 390 A N 0.492 123.186 122.820 -0.209 0.000 2.010 390 A HA 0.112 4.432 4.320 -0.000 0.000 0.210 390 A C 1.234 178.872 177.584 0.089 0.000 1.479 390 A CA 0.283 52.296 52.037 -0.040 0.000 0.748 390 A CB -0.318 18.705 19.000 0.039 0.000 1.125 390 A HN 0.230 nan 8.150 nan 0.000 0.522 391 F N -3.676 116.414 119.950 0.233 0.000 2.746 391 F HA 0.463 4.990 4.527 -0.000 0.000 0.320 391 F C 1.148 177.196 175.800 0.413 0.000 1.097 391 F CA -0.920 57.261 58.000 0.301 0.000 1.195 391 F CB -0.194 39.017 39.000 0.352 0.000 1.056 391 F HN 0.080 nan 8.300 nan 0.000 0.562 392 Y N 1.708 122.052 120.300 0.074 0.000 2.333 392 Y HA -0.193 4.357 4.550 -0.000 0.000 0.290 392 Y C 2.686 178.785 175.900 0.332 0.000 1.144 392 Y CA 1.327 59.563 58.100 0.226 0.000 1.228 392 Y CB -1.023 37.549 38.460 0.187 0.000 0.985 392 Y HN 0.320 nan 8.280 nan 0.000 0.542 393 Q N 0.698 120.741 119.800 0.405 0.000 2.096 393 Q HA -0.242 4.098 4.340 -0.000 0.000 0.208 393 Q C 2.207 178.359 176.000 0.253 0.000 0.993 393 Q CA 2.166 58.145 55.803 0.292 0.000 0.862 393 Q CB -0.839 28.015 28.738 0.192 0.000 0.915 393 Q HN 0.620 nan 8.270 nan 0.000 0.416 394 L N -0.802 120.573 121.223 0.254 0.000 2.109 394 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 394 L C 2.121 179.092 176.870 0.167 0.000 1.086 394 L CA 0.906 55.857 54.840 0.184 0.000 0.760 394 L CB -0.122 42.040 42.059 0.172 0.000 0.910 394 L HN 0.355 nan 8.230 nan 0.000 0.437 395 I N -0.966 119.725 120.570 0.201 0.000 2.226 395 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 395 I C 2.359 178.478 176.117 0.004 0.000 1.100 395 I CA 1.028 62.367 61.300 0.064 0.000 1.374 395 I CB -0.620 37.341 38.000 -0.065 0.000 1.057 395 I HN 0.358 nan 8.210 nan 0.000 0.413 396 H N 0.464 119.613 119.070 0.132 0.000 2.372 396 H HA 0.036 4.592 4.556 -0.000 0.000 0.301 396 H C 1.205 176.547 175.328 0.023 0.000 1.065 396 H CA 1.113 57.248 56.048 0.145 0.000 1.364 396 H CB 0.285 30.219 29.762 0.285 0.000 1.406 396 H HN 0.460 nan 8.280 nan 0.000 0.521 397 Q N 0.108 119.968 119.800 0.100 0.000 2.112 397 Q HA 0.222 4.562 4.340 -0.000 0.000 0.222 397 Q C 0.713 176.715 176.000 0.003 0.000 0.798 397 Q CA -0.347 55.436 55.803 -0.033 0.000 1.060 397 Q CB 1.889 30.531 28.738 -0.160 0.000 1.184 397 Q HN 0.212 nan 8.270 nan 0.000 0.475 398 G N 0.397 109.221 108.800 0.040 0.000 2.509 398 G HA2 0.184 4.144 3.960 -0.000 0.000 0.269 398 G HA3 0.184 4.144 3.960 -0.000 0.000 0.269 398 G C 0.659 175.572 174.900 0.023 0.000 1.416 398 G CA 0.069 45.189 45.100 0.034 0.000 1.052 398 G HN 0.181 nan 8.290 nan 0.000 0.542 399 T N -2.618 111.948 114.554 0.020 0.000 3.174 399 T HA 0.405 4.755 4.350 -0.000 0.000 0.269 399 T C 0.238 174.953 174.700 0.025 0.000 1.017 399 T CA -0.240 61.871 62.100 0.019 0.000 0.899 399 T CB 0.193 69.069 68.868 0.013 0.000 1.077 399 T HN 0.189 nan 8.240 nan 0.000 0.552 400 K N 1.518 121.934 120.400 0.026 0.000 2.259 400 K HA 0.589 4.909 4.320 -0.000 0.000 0.252 400 K C -0.722 175.893 176.600 0.025 0.000 0.936 400 K CA -0.661 55.643 56.287 0.028 0.000 0.810 400 K CB 2.079 34.592 32.500 0.022 0.000 1.143 400 K HN 0.223 nan 8.250 nan 0.000 0.427 401 M N 4.428 124.041 119.600 0.021 0.000 2.146 401 M HA 0.396 4.876 4.480 -0.000 0.000 0.357 401 M C -1.226 175.057 176.300 -0.029 0.000 1.261 401 M CA -0.128 55.156 55.300 -0.027 0.000 1.106 401 M CB 0.283 32.855 32.600 -0.047 0.000 1.612 401 M HN 0.575 nan 8.290 nan 0.000 0.470 402 I N 7.804 128.340 120.570 -0.057 0.000 2.521 402 I HA 0.353 4.523 4.170 -0.000 0.000 0.277 402 I C -2.275 173.767 176.117 -0.124 0.000 1.054 402 I CA -1.895 59.396 61.300 -0.014 0.000 1.117 402 I CB 1.561 39.619 38.000 0.096 0.000 1.217 402 I HN 0.498 nan 8.210 nan 0.000 0.469 403 P HA 0.065 nan 4.420 nan 0.000 0.264 403 P C -0.932 176.241 177.300 -0.211 0.000 1.193 403 P CA -0.041 62.917 63.100 -0.236 0.000 0.763 403 P CB 0.359 31.984 31.700 -0.126 0.000 0.810 404 C N 3.156 122.364 119.300 -0.153 0.000 2.408 404 C HA 0.365 4.825 4.460 -0.000 0.000 0.321 404 C C -0.286 174.709 174.990 0.008 0.000 1.245 404 C CA -0.474 58.433 59.018 -0.185 0.000 1.523 404 C CB 1.262 28.967 27.740 -0.059 0.000 2.178 404 C HN 0.492 nan 8.230 nan 0.000 0.488 405 D N 1.968 122.326 120.400 -0.070 0.000 2.317 405 D HA 0.448 5.088 4.640 -0.000 0.000 0.234 405 D C -0.667 175.735 176.300 0.171 0.000 1.112 405 D CA 0.083 54.196 54.000 0.188 0.000 0.840 405 D CB 0.573 41.558 40.800 0.309 0.000 1.078 405 D HN 0.267 nan 8.370 nan 0.000 0.486 406 F N 2.184 122.205 119.950 0.118 0.000 2.410 406 F HA 0.431 4.957 4.527 -0.000 0.000 0.349 406 F C -0.039 176.034 175.800 0.456 0.000 1.117 406 F CA -0.690 57.409 58.000 0.165 0.000 1.104 406 F CB 0.824 39.655 39.000 -0.282 0.000 1.122 406 F HN 0.048 nan 8.300 nan 0.000 0.483 407 L N 5.054 126.687 121.223 0.683 0.000 2.388 407 L HA 0.719 5.059 4.340 -0.000 0.000 0.264 407 L C -0.883 176.164 176.870 0.295 0.000 0.998 407 L CA -0.518 54.650 54.840 0.548 0.000 0.817 407 L CB 2.402 44.739 42.059 0.464 0.000 1.338 407 L HN 0.564 nan 8.230 nan 0.000 0.414 408 I N 2.422 122.838 120.570 -0.256 0.000 2.785 408 I HA 0.446 4.615 4.170 -0.000 0.000 0.293 408 I C -2.798 172.634 176.117 -1.140 0.000 1.446 408 I CA -1.498 59.456 61.300 -0.576 0.000 1.028 408 I CB 3.407 40.844 38.000 -0.938 0.000 1.349 408 I HN 0.405 nan 8.210 nan 0.000 0.438 409 P HA 0.173 nan 4.420 nan 0.000 0.284 409 P C 0.457 177.644 177.300 -0.187 0.000 1.253 409 P CA -0.196 62.569 63.100 -0.559 0.000 0.800 409 P CB 2.020 33.716 31.700 -0.008 0.000 0.961 410 V N 2.540 122.364 119.914 -0.151 0.000 2.358 410 V HA -0.174 3.945 4.120 -0.000 0.000 0.246 410 V C 1.256 177.428 176.094 0.129 0.000 1.047 410 V CA 1.814 64.103 62.300 -0.019 0.000 1.035 410 V CB -0.917 30.883 31.823 -0.040 0.000 0.658 410 V HN 0.592 nan 8.190 nan 0.000 0.452 411 Q N -0.169 119.650 119.800 0.033 0.000 2.271 411 Q HA 0.415 4.755 4.340 -0.000 0.000 0.258 411 Q C -0.123 175.762 176.000 -0.193 0.000 0.936 411 Q CA -0.119 55.652 55.803 -0.053 0.000 0.909 411 Q CB 1.895 30.622 28.738 -0.019 0.000 1.253 411 Q HN 0.328 nan 8.270 nan 0.000 0.440 412 T N 0.841 115.118 114.554 -0.461 0.000 2.922 412 T HA 0.063 4.413 4.350 -0.000 0.000 0.285 412 T C 0.939 175.516 174.700 -0.205 0.000 1.005 412 T CA -0.409 61.415 62.100 -0.460 0.000 1.061 412 T CB 0.887 69.306 68.868 -0.748 0.000 1.007 412 T HN 0.511 nan 8.240 nan 0.000 0.502 413 Q N 1.483 121.207 119.800 -0.126 0.000 2.435 413 Q HA 0.012 4.351 4.340 -0.000 0.000 0.207 413 Q C -0.049 175.628 176.000 -0.537 0.000 0.956 413 Q CA 1.027 56.672 55.803 -0.263 0.000 0.917 413 Q CB 0.109 28.744 28.738 -0.172 0.000 0.997 413 Q HN 0.649 nan 8.270 nan 0.000 0.497 414 H N 0.401 119.435 119.070 -0.059 0.000 2.607 414 H HA 0.204 4.760 4.556 -0.000 0.000 0.248 414 H C -2.135 173.140 175.328 -0.089 0.000 1.355 414 H CA -1.698 54.307 56.048 -0.072 0.000 1.524 414 H CB 1.183 30.894 29.762 -0.084 0.000 1.563 414 H HN 0.012 nan 8.280 nan 0.000 0.509 415 P HA 0.077 nan 4.420 nan 0.000 0.220 415 P C 0.827 178.144 177.300 0.028 0.000 1.778 415 P CA -0.197 62.902 63.100 -0.001 0.000 0.912 415 P CB -0.754 30.932 31.700 -0.022 0.000 1.861 416 I N -3.160 117.427 120.570 0.027 0.000 3.060 416 I HA 0.222 4.392 4.170 -0.000 0.000 0.285 416 I C 0.687 176.853 176.117 0.081 0.000 1.190 416 I CA -0.619 60.693 61.300 0.020 0.000 1.363 416 I CB 0.082 38.044 38.000 -0.064 0.000 1.396 416 I HN -0.063 nan 8.210 nan 0.000 0.607 417 R N 2.098 122.645 120.500 0.079 0.000 3.416 417 R HA -0.208 4.132 4.340 -0.000 0.000 0.263 417 R C 0.125 176.472 176.300 0.078 0.000 1.053 417 R CA 1.028 57.188 56.100 0.099 0.000 0.705 417 R CB -2.095 28.313 30.300 0.180 0.000 1.124 417 R HN 0.935 nan 8.270 nan 0.000 0.444 418 K N -1.446 118.986 120.400 0.054 0.000 3.016 418 K HA -0.292 4.028 4.320 -0.000 0.000 0.262 418 K C 0.843 177.476 176.600 0.053 0.000 1.043 418 K CA 1.148 57.460 56.287 0.042 0.000 0.761 418 K CB -1.549 30.969 32.500 0.030 0.000 1.230 418 K HN 0.907 nan 8.250 nan 0.000 0.485 419 G N -0.247 108.600 108.800 0.078 0.000 2.157 419 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.248 419 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.248 419 G C 0.560 175.535 174.900 0.123 0.000 0.979 419 G CA 0.318 45.480 45.100 0.103 0.000 0.650 419 G HN 0.269 nan 8.290 nan 0.000 0.529 420 L N 0.363 121.654 121.223 0.113 0.000 2.046 420 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 420 L C 2.469 179.374 176.870 0.059 0.000 1.077 420 L CA 2.903 57.780 54.840 0.062 0.000 0.747 420 L CB -0.604 41.467 42.059 0.021 0.000 0.896 420 L HN 0.465 nan 8.230 nan 0.000 0.432 421 H N -1.801 117.302 119.070 0.056 0.000 2.321 421 H HA -0.198 4.358 4.556 -0.000 0.000 0.300 421 H C 2.151 177.543 175.328 0.108 0.000 1.087 421 H CA 1.962 58.049 56.048 0.066 0.000 1.319 421 H CB -0.140 29.657 29.762 0.058 0.000 1.379 421 H HN 0.504 nan 8.280 nan 0.000 0.501 422 H N 1.176 120.332 119.070 0.143 0.000 2.423 422 H HA -0.067 4.489 4.556 -0.000 0.000 0.297 422 H C 2.402 177.758 175.328 0.046 0.000 1.075 422 H CA 1.588 57.683 56.048 0.078 0.000 1.342 422 H CB 0.103 29.895 29.762 0.049 0.000 1.395 422 H HN 0.215 nan 8.280 nan 0.000 0.530 423 K N 0.152 120.581 120.400 0.049 0.000 2.032 423 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 423 K C 2.033 178.610 176.600 -0.040 0.000 1.048 423 K CA 1.871 58.145 56.287 -0.022 0.000 0.927 423 K CB -0.188 32.315 32.500 0.004 0.000 0.712 423 K HN 0.309 nan 8.250 nan 0.000 0.441 424 I N 0.954 121.517 120.570 -0.012 0.000 2.252 424 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 424 I C 2.332 178.465 176.117 0.027 0.000 1.102 424 I CA 0.476 61.774 61.300 -0.003 0.000 1.385 424 I CB -0.217 37.773 38.000 -0.017 0.000 1.064 424 I HN 0.202 nan 8.210 nan 0.000 0.414 425 L N 0.701 121.942 121.223 0.031 0.000 1.989 425 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 425 L C 2.358 179.253 176.870 0.041 0.000 1.071 425 L CA 1.907 56.799 54.840 0.087 0.000 0.749 425 L CB -0.502 41.598 42.059 0.068 0.000 0.890 425 L HN 0.120 nan 8.230 nan 0.000 0.431 426 L N -0.955 120.174 121.223 -0.157 0.000 2.012 426 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 426 L C 2.655 179.514 176.870 -0.018 0.000 1.073 426 L CA 1.344 56.087 54.840 -0.162 0.000 0.748 426 L CB -0.900 41.001 42.059 -0.263 0.000 0.891 426 L HN 0.379 nan 8.230 nan 0.000 0.431 427 A N -0.018 122.788 122.820 -0.023 0.000 1.908 427 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 427 A C 2.105 179.694 177.584 0.008 0.000 1.181 427 A CA 2.077 54.106 52.037 -0.013 0.000 0.627 427 A CB -0.672 18.317 19.000 -0.017 0.000 0.818 427 A HN 0.507 nan 8.150 nan 0.000 0.445 428 N N -1.437 117.299 118.700 0.059 0.000 2.216 428 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 428 N C 1.630 177.156 175.510 0.027 0.000 1.017 428 N CA 1.466 54.577 53.050 0.102 0.000 0.861 428 N CB -0.338 38.278 38.487 0.215 0.000 0.986 428 N HN 0.577 nan 8.380 nan 0.000 0.428 429 F N 2.297 122.080 119.950 -0.277 0.000 2.095 429 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 429 F C 2.083 177.646 175.800 -0.395 0.000 1.104 429 F CA 1.274 58.888 58.000 -0.643 0.000 1.232 429 F CB -0.280 38.388 39.000 -0.553 0.000 0.987 429 F HN -0.089 nan 8.300 nan 0.000 0.475 430 L N -0.042 121.118 121.223 -0.105 0.000 2.044 430 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 430 L C 2.858 179.567 176.870 -0.267 0.000 1.075 430 L CA 1.095 55.819 54.840 -0.193 0.000 0.747 430 L CB -1.232 40.799 42.059 -0.047 0.000 0.903 430 L HN 0.225 nan 8.230 nan 0.000 0.435 431 A N -0.804 121.913 122.820 -0.172 0.000 1.933 431 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 431 A C 2.280 179.772 177.584 -0.153 0.000 1.175 431 A CA 1.255 53.207 52.037 -0.142 0.000 0.628 431 A CB -0.337 18.616 19.000 -0.077 0.000 0.814 431 A HN 0.389 nan 8.150 nan 0.000 0.444 432 Q N -0.395 119.306 119.800 -0.164 0.000 2.079 432 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 432 Q C 2.406 178.208 176.000 -0.330 0.000 0.974 432 Q CA 2.173 57.928 55.803 -0.080 0.000 0.840 432 Q CB -0.874 27.973 28.738 0.183 0.000 0.898 432 Q HN 0.882 nan 8.270 nan 0.000 0.430 433 T N -1.817 112.325 114.554 -0.686 0.000 2.904 433 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 433 T C 1.705 176.184 174.700 -0.367 0.000 1.059 433 T CA 1.149 62.846 62.100 -0.671 0.000 1.137 433 T CB -0.042 68.325 68.868 -0.835 0.000 0.879 433 T HN 0.290 nan 8.240 nan 0.000 0.467 434 E N 1.494 121.502 120.200 -0.319 0.000 2.051 434 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 434 E C 2.457 178.957 176.600 -0.166 0.000 0.991 434 E CA 1.123 57.377 56.400 -0.243 0.000 0.799 434 E CB -0.415 29.151 29.700 -0.222 0.000 0.748 434 E HN 0.646 nan 8.360 nan 0.000 0.449 435 A N 0.954 123.703 122.820 -0.118 0.000 1.898 435 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 435 A C 2.207 179.831 177.584 0.066 0.000 1.181 435 A CA 1.024 53.036 52.037 -0.042 0.000 0.620 435 A CB -0.651 18.351 19.000 0.003 0.000 0.819 435 A HN 0.293 nan 8.150 nan 0.000 0.442 436 L N -1.102 120.144 121.223 0.038 0.000 2.083 436 L HA -0.206 4.133 4.340 -0.000 0.000 0.209 436 L C 2.864 179.724 176.870 -0.016 0.000 1.083 436 L CA 1.546 56.372 54.840 -0.023 0.000 0.752 436 L CB -0.374 41.577 42.059 -0.181 0.000 0.899 436 L HN 0.497 nan 8.230 nan 0.000 0.433 437 M N -0.584 118.979 119.600 -0.062 0.000 2.098 437 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 437 M C 2.446 178.744 176.300 -0.004 0.000 1.072 437 M CA 1.727 57.005 55.300 -0.038 0.000 1.133 437 M CB -0.465 32.072 32.600 -0.104 0.000 1.344 437 M HN 0.139 nan 8.290 nan 0.000 0.414 438 R N 0.288 120.767 120.500 -0.036 0.000 2.093 438 R HA 0.120 4.460 4.340 -0.000 0.000 0.224 438 R C 1.368 177.679 176.300 0.018 0.000 1.101 438 R CA 0.909 56.996 56.100 -0.022 0.000 0.979 438 R CB -1.028 29.231 30.300 -0.069 0.000 0.877 438 R HN 0.631 nan 8.270 nan 0.000 0.441 439 G N 1.467 110.288 108.800 0.034 0.000 2.645 439 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.246 439 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.246 439 G C -0.578 174.338 174.900 0.028 0.000 1.322 439 G CA 0.235 45.398 45.100 0.105 0.000 0.898 439 G HN 0.316 nan 8.290 nan 0.000 0.573 440 K N -0.319 120.151 120.400 0.116 0.000 2.619 440 K HA 0.530 4.850 4.320 -0.000 0.000 0.251 440 K C 0.397 177.068 176.600 0.119 0.000 0.987 440 K CA 0.097 56.427 56.287 0.071 0.000 0.844 440 K CB 1.086 33.602 32.500 0.027 0.000 1.237 440 K HN 1.283 nan 8.250 nan 0.000 0.447 441 S N 2.077 117.820 115.700 0.071 0.000 2.624 441 S HA 0.098 4.568 4.470 -0.000 0.000 0.263 441 S C 1.136 175.773 174.600 0.061 0.000 1.287 441 S CA -0.095 58.144 58.200 0.065 0.000 0.990 441 S CB 1.221 64.447 63.200 0.044 0.000 0.950 441 S HN 0.582 nan 8.310 nan 0.000 0.561 442 T N 1.017 115.600 114.554 0.049 0.000 2.699 442 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 442 T C 1.707 176.428 174.700 0.035 0.000 1.036 442 T CA 2.110 64.234 62.100 0.040 0.000 1.147 442 T CB -0.609 68.275 68.868 0.027 0.000 0.862 442 T HN 0.830 nan 8.240 nan 0.000 0.446 443 E N 1.148 121.366 120.200 0.029 0.000 2.106 443 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 443 E C 2.084 178.697 176.600 0.023 0.000 0.984 443 E CA 1.339 57.753 56.400 0.023 0.000 0.806 443 E CB -0.157 29.554 29.700 0.019 0.000 0.750 443 E HN 0.570 nan 8.360 nan 0.000 0.458 444 E N -0.413 119.802 120.200 0.025 0.000 2.106 444 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 444 E C 1.952 178.567 176.600 0.025 0.000 0.984 444 E CA 0.913 57.324 56.400 0.019 0.000 0.806 444 E CB -0.140 29.569 29.700 0.014 0.000 0.750 444 E HN 0.369 nan 8.360 nan 0.000 0.458 445 A N 1.426 124.271 122.820 0.042 0.000 1.897 445 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 445 A C 2.082 179.691 177.584 0.041 0.000 1.181 445 A CA 1.276 53.346 52.037 0.054 0.000 0.620 445 A CB -0.386 18.663 19.000 0.081 0.000 0.821 445 A HN 0.072 nan 8.150 nan 0.000 0.443 446 R N -0.229 120.292 120.500 0.035 0.000 2.083 446 R HA -0.226 4.114 4.340 -0.000 0.000 0.237 446 R C 2.060 178.373 176.300 0.022 0.000 1.137 446 R CA 2.114 58.231 56.100 0.028 0.000 0.951 446 R CB -0.250 30.064 30.300 0.023 0.000 0.851 446 R HN 0.358 nan 8.270 nan 0.000 0.434 447 K N 0.693 121.104 120.400 0.018 0.000 2.020 447 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 447 K C 1.971 178.578 176.600 0.011 0.000 1.050 447 K CA 2.188 58.482 56.287 0.012 0.000 0.929 447 K CB -0.167 32.337 32.500 0.008 0.000 0.714 447 K HN 0.307 nan 8.250 nan 0.000 0.443 448 E N -0.259 119.949 120.200 0.013 0.000 2.070 448 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 448 E C 1.747 178.356 176.600 0.016 0.000 1.004 448 E CA 1.221 57.628 56.400 0.012 0.000 0.805 448 E CB -0.079 29.631 29.700 0.016 0.000 0.744 448 E HN 0.064 nan 8.360 nan 0.000 0.451 449 L N 0.965 122.201 121.223 0.022 0.000 2.093 449 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 449 L C 2.283 179.162 176.870 0.016 0.000 1.085 449 L CA 1.620 56.473 54.840 0.022 0.000 0.755 449 L CB -1.177 40.899 42.059 0.029 0.000 0.904 449 L HN 0.202 nan 8.230 nan 0.000 0.435 450 Q N -0.753 119.056 119.800 0.015 0.000 2.030 450 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 450 Q C 2.338 178.343 176.000 0.008 0.000 0.986 450 Q CA 1.871 57.681 55.803 0.011 0.000 0.843 450 Q CB -0.243 28.502 28.738 0.010 0.000 0.904 450 Q HN 0.528 nan 8.270 nan 0.000 0.420 451 A N 1.079 123.903 122.820 0.007 0.000 1.908 451 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 451 A C 2.240 179.826 177.584 0.004 0.000 1.181 451 A CA 1.728 53.768 52.037 0.004 0.000 0.627 451 A CB -0.810 18.191 19.000 0.002 0.000 0.818 451 A HN 0.424 nan 8.150 nan 0.000 0.445 452 A N -1.931 120.892 122.820 0.006 0.000 2.172 452 A HA 0.356 4.676 4.320 -0.000 0.000 0.216 452 A C 1.870 179.457 177.584 0.005 0.000 1.154 452 A CA 1.428 53.468 52.037 0.005 0.000 0.701 452 A CB -0.963 18.042 19.000 0.008 0.000 0.789 452 A HN 2.026 nan 8.150 nan 0.000 0.465 453 G N -0.862 107.942 108.800 0.006 0.000 2.142 453 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.225 453 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.225 453 G C -0.124 174.780 174.900 0.006 0.000 1.015 453 G CA 0.108 45.211 45.100 0.005 0.000 0.716 453 G HN 0.368 nan 8.290 nan 0.000 0.508 454 K N 1.457 121.862 120.400 0.009 0.000 2.350 454 K HA 0.438 4.758 4.320 -0.000 0.000 0.279 454 K C 1.220 177.826 176.600 0.010 0.000 1.027 454 K CA 0.390 56.683 56.287 0.010 0.000 0.969 454 K CB 1.144 33.652 32.500 0.014 0.000 0.954 454 K HN 0.740 nan 8.250 nan 0.000 0.474 455 S N 2.219 117.925 115.700 0.009 0.000 2.584 455 S HA 0.100 4.570 4.470 -0.000 0.000 0.270 455 S C -1.654 172.953 174.600 0.011 0.000 1.346 455 S CA -0.958 57.247 58.200 0.009 0.000 1.018 455 S CB 0.569 63.773 63.200 0.007 0.000 0.899 455 S HN 0.279 nan 8.310 nan 0.000 0.542 456 P HA -0.162 nan 4.420 nan 0.000 0.216 456 P C 1.509 178.818 177.300 0.015 0.000 1.154 456 P CA 1.355 64.462 63.100 0.013 0.000 0.865 456 P CB 0.027 31.733 31.700 0.010 0.000 0.789 457 E N -0.232 119.976 120.200 0.013 0.000 2.007 457 E HA -0.234 4.116 4.350 -0.000 0.000 0.203 457 E C 1.708 178.319 176.600 0.018 0.000 1.020 457 E CA 1.993 58.402 56.400 0.014 0.000 0.845 457 E CB -0.738 28.969 29.700 0.011 0.000 0.779 457 E HN 0.253 nan 8.360 nan 0.000 0.466 458 D N 0.870 121.280 120.400 0.015 0.000 2.126 458 D HA -0.212 4.428 4.640 -0.000 0.000 0.190 458 D C 2.054 178.369 176.300 0.025 0.000 1.001 458 D CA 0.957 54.967 54.000 0.017 0.000 0.841 458 D CB -0.518 40.289 40.800 0.012 0.000 0.949 458 D HN 0.105 nan 8.370 nan 0.000 0.446 459 L N 0.569 121.806 121.223 0.024 0.000 1.978 459 L HA -0.279 4.061 4.340 -0.000 0.000 0.218 459 L C 2.170 179.063 176.870 0.038 0.000 1.075 459 L CA 1.827 56.685 54.840 0.030 0.000 0.767 459 L CB -0.191 41.883 42.059 0.023 0.000 0.890 459 L HN -0.091 nan 8.230 nan 0.000 0.434 460 E N -0.646 119.574 120.200 0.033 0.000 2.268 460 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 460 E C 2.183 178.812 176.600 0.049 0.000 0.995 460 E CA 0.778 57.199 56.400 0.034 0.000 0.836 460 E CB 0.051 29.766 29.700 0.025 0.000 0.763 460 E HN 0.250 nan 8.360 nan 0.000 0.491 461 R N -0.504 120.029 120.500 0.056 0.000 2.100 461 R HA 0.038 4.378 4.340 -0.000 0.000 0.220 461 R C 1.988 178.378 176.300 0.150 0.000 1.091 461 R CA 0.444 56.594 56.100 0.083 0.000 0.986 461 R CB -0.541 29.793 30.300 0.057 0.000 0.888 461 R HN 0.243 nan 8.270 nan 0.000 0.444 462 L N 0.931 122.223 121.223 0.115 0.000 2.270 462 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 462 L C 1.975 178.956 176.870 0.185 0.000 1.104 462 L CA 0.944 55.871 54.840 0.146 0.000 0.804 462 L CB -0.630 41.467 42.059 0.064 0.000 0.937 462 L HN 0.025 nan 8.230 nan 0.000 0.450 463 L N 1.368 122.658 121.223 0.112 0.000 1.978 463 L HA -0.165 4.175 4.340 -0.000 0.000 0.218 463 L C -0.537 176.363 176.870 0.051 0.000 1.075 463 L CA 2.570 57.455 54.840 0.074 0.000 0.767 463 L CB -1.921 40.166 42.059 0.046 0.000 0.890 463 L HN 0.243 nan 8.230 nan 0.000 0.434 464 P HA -0.172 nan 4.420 nan 0.000 0.220 464 P C 1.032 178.235 177.300 -0.161 0.000 1.148 464 P CA 1.803 64.839 63.100 -0.107 0.000 0.803 464 P CB -0.335 31.250 31.700 -0.191 0.000 0.782 465 H N -0.127 118.936 119.070 -0.011 0.000 2.462 465 H HA 0.045 4.601 4.556 -0.000 0.000 0.292 465 H C 1.791 177.093 175.328 -0.042 0.000 1.049 465 H CA 1.023 57.051 56.048 -0.032 0.000 1.334 465 H CB -0.110 29.641 29.762 -0.017 0.000 1.404 465 H HN 0.044 nan 8.280 nan 0.000 0.544 466 K N 0.677 121.146 120.400 0.115 0.000 2.444 466 K HA 0.118 4.438 4.320 -0.000 0.000 0.193 466 K C -0.028 176.690 176.600 0.197 0.000 1.024 466 K CA 0.109 56.484 56.287 0.148 0.000 1.077 466 K CB 0.632 33.218 32.500 0.144 0.000 0.833 466 K HN 0.078 nan 8.250 nan 0.000 0.517 467 V N 2.175 122.142 119.914 0.088 0.000 2.583 467 V HA 0.165 4.285 4.120 -0.000 0.000 0.287 467 V C -0.234 175.906 176.094 0.077 0.000 1.051 467 V CA -0.308 62.072 62.300 0.132 0.000 1.010 467 V CB 0.395 32.248 31.823 0.051 0.000 0.988 467 V HN -0.045 nan 8.190 nan 0.000 0.478 468 F N 2.609 122.576 119.950 0.029 0.000 2.427 468 F HA 0.421 4.947 4.527 -0.000 0.000 0.348 468 F C 1.253 177.081 175.800 0.046 0.000 1.125 468 F CA -0.759 57.270 58.000 0.048 0.000 0.989 468 F CB 1.513 40.544 39.000 0.053 0.000 1.165 468 F HN 0.565 nan 8.300 nan 0.000 0.442 469 E N 2.215 122.509 120.200 0.156 0.000 2.347 469 E HA 0.091 4.441 4.350 -0.000 0.000 0.196 469 E C 1.594 178.269 176.600 0.126 0.000 1.008 469 E CA 0.499 56.967 56.400 0.113 0.000 0.852 469 E CB 0.020 29.759 29.700 0.066 0.000 0.783 469 E HN 0.945 nan 8.360 nan 0.000 0.505 470 G N 1.992 110.894 108.800 0.171 0.000 2.578 470 G HA2 -0.442 3.517 3.960 -0.000 0.000 0.275 470 G HA3 -0.442 3.517 3.960 -0.000 0.000 0.275 470 G C 0.248 175.198 174.900 0.084 0.000 1.271 470 G CA 0.188 45.368 45.100 0.133 0.000 0.941 470 G HN 0.365 nan 8.290 nan 0.000 0.564 471 N N -1.525 117.216 118.700 0.069 0.000 2.776 471 N HA -0.180 4.560 4.740 -0.000 0.000 0.250 471 N C 0.197 175.722 175.510 0.026 0.000 1.112 471 N CA 1.883 54.971 53.050 0.064 0.000 0.733 471 N CB -0.709 37.825 38.487 0.078 0.000 1.097 471 N HN 0.865 nan 8.380 nan 0.000 0.558 472 R N 0.687 121.188 120.500 0.001 0.000 2.215 472 R HA 0.400 4.740 4.340 -0.000 0.000 0.336 472 R C -2.209 174.048 176.300 -0.071 0.000 0.996 472 R CA -1.475 54.592 56.100 -0.056 0.000 0.847 472 R CB 1.182 31.441 30.300 -0.068 0.000 1.127 472 R HN 0.174 nan 8.270 nan 0.000 0.465 473 P HA 0.138 nan 4.420 nan 0.000 0.282 473 P C -0.784 176.486 177.300 -0.050 0.000 1.249 473 P CA -0.320 62.754 63.100 -0.044 0.000 0.806 473 P CB 1.677 33.352 31.700 -0.040 0.000 0.984 474 T N -0.993 113.577 114.554 0.026 0.000 2.868 474 T HA 0.463 4.813 4.350 -0.000 0.000 0.306 474 T C -0.636 174.153 174.700 0.149 0.000 1.224 474 T CA -0.904 61.233 62.100 0.063 0.000 1.012 474 T CB 1.187 70.017 68.868 -0.064 0.000 1.221 474 T HN 0.215 nan 8.240 nan 0.000 0.499 475 N N 0.652 119.483 118.700 0.218 0.000 2.361 475 N HA 0.616 5.356 4.740 -0.000 0.000 0.302 475 N C -1.155 174.510 175.510 0.257 0.000 1.074 475 N CA -0.575 52.637 53.050 0.271 0.000 0.850 475 N CB 2.090 40.772 38.487 0.325 0.000 1.228 475 N HN 0.627 nan 8.380 nan 0.000 0.491 476 S N 1.524 117.375 115.700 0.252 0.000 2.498 476 S HA 0.557 5.026 4.470 -0.000 0.000 0.317 476 S C -0.083 174.757 174.600 0.400 0.000 1.090 476 S CA -0.551 57.831 58.200 0.303 0.000 1.089 476 S CB 0.551 63.855 63.200 0.174 0.000 0.997 476 S HN 0.338 nan 8.310 nan 0.000 0.470 477 I N 3.723 124.578 120.570 0.474 0.000 2.382 477 I HA 0.421 4.591 4.170 -0.000 0.000 0.285 477 I C -0.857 175.474 176.117 0.356 0.000 1.007 477 I CA -0.645 60.909 61.300 0.423 0.000 1.142 477 I CB 1.478 39.747 38.000 0.447 0.000 1.289 477 I HN 0.239 nan 8.210 nan 0.000 0.453 478 V N 7.072 127.121 119.914 0.223 0.000 2.495 478 V HA 0.573 4.693 4.120 -0.000 0.000 0.298 478 V C -0.493 175.618 176.094 0.029 0.000 1.031 478 V CA -0.667 61.571 62.300 -0.104 0.000 0.871 478 V CB 1.469 33.242 31.823 -0.083 0.000 0.988 478 V HN 0.528 nan 8.190 nan 0.000 0.432 479 F N 0.131 120.107 119.950 0.042 0.000 2.599 479 F HA 0.621 5.148 4.527 -0.000 0.000 0.311 479 F C 1.161 176.991 175.800 0.050 0.000 1.076 479 F CA -0.864 57.172 58.000 0.059 0.000 0.937 479 F CB 1.105 40.140 39.000 0.058 0.000 1.282 479 F HN 0.291 nan 8.300 nan 0.000 0.460 480 T N -0.661 114.029 114.554 0.227 0.000 2.652 480 T HA -0.125 4.224 4.350 -0.000 0.000 0.267 480 T C 0.248 175.024 174.700 0.128 0.000 1.039 480 T CA 1.680 63.857 62.100 0.129 0.000 1.153 480 T CB -0.185 68.765 68.868 0.137 0.000 0.863 480 T HN 0.594 nan 8.240 nan 0.000 0.428 481 K N -0.102 120.435 120.400 0.229 0.000 2.557 481 K HA 0.380 4.700 4.320 -0.000 0.000 0.261 481 K C -2.069 174.712 176.600 0.301 0.000 0.932 481 K CA -0.753 55.661 56.287 0.212 0.000 0.829 481 K CB 1.471 34.050 32.500 0.132 0.000 1.358 481 K HN -0.080 nan 8.250 nan 0.000 0.430 482 L N 4.512 125.921 121.223 0.309 0.000 2.404 482 L HA 0.224 4.563 4.340 -0.000 0.000 0.277 482 L C -0.266 176.700 176.870 0.161 0.000 1.184 482 L CA 0.480 55.468 54.840 0.247 0.000 1.013 482 L CB -0.226 42.001 42.059 0.280 0.000 1.318 482 L HN 0.707 nan 8.230 nan 0.000 0.435 483 T N 1.132 115.734 114.554 0.080 0.000 2.897 483 T HA 0.495 4.845 4.350 -0.000 0.000 0.278 483 T C -1.790 172.787 174.700 -0.205 0.000 0.981 483 T CA -1.781 60.269 62.100 -0.083 0.000 0.973 483 T CB 1.005 69.853 68.868 -0.033 0.000 1.092 483 T HN 0.185 nan 8.240 nan 0.000 0.543 484 P HA -0.044 nan 4.420 nan 0.000 0.216 484 P C 1.234 178.470 177.300 -0.108 0.000 1.153 484 P CA 0.828 63.760 63.100 -0.280 0.000 0.858 484 P CB -0.130 31.358 31.700 -0.354 0.000 0.789 485 F N -0.541 119.285 119.950 -0.207 0.000 2.102 485 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 485 F C 2.251 177.991 175.800 -0.100 0.000 1.105 485 F CA 1.524 59.436 58.000 -0.147 0.000 1.239 485 F CB -0.508 38.374 39.000 -0.197 0.000 0.991 485 F HN -0.201 nan 8.300 nan 0.000 0.474 486 M N 0.215 119.906 119.600 0.153 0.000 2.132 486 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 486 M C 1.978 178.202 176.300 -0.127 0.000 1.065 486 M CA 1.521 56.835 55.300 0.023 0.000 1.122 486 M CB -0.917 31.705 32.600 0.037 0.000 1.365 486 M HN 0.311 nan 8.290 nan 0.000 0.411 487 L N 0.099 121.259 121.223 -0.105 0.000 2.042 487 L HA -0.013 4.327 4.340 -0.000 0.000 0.210 487 L C 2.150 179.028 176.870 0.014 0.000 1.076 487 L CA 2.382 57.176 54.840 -0.077 0.000 0.749 487 L CB -1.529 40.491 42.059 -0.066 0.000 0.893 487 L HN 0.409 nan 8.230 nan 0.000 0.432 488 G N -1.228 107.566 108.800 -0.009 0.000 2.418 488 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 488 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 488 G C 1.602 176.544 174.900 0.070 0.000 1.158 488 G CA 0.817 45.995 45.100 0.131 0.000 0.771 488 G HN 0.655 nan 8.290 nan 0.000 0.545 489 A N 0.613 123.368 122.820 -0.108 0.000 1.902 489 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 489 A C 2.447 180.073 177.584 0.069 0.000 1.181 489 A CA 1.322 53.333 52.037 -0.044 0.000 0.623 489 A CB -0.417 18.510 19.000 -0.123 0.000 0.818 489 A HN 0.354 nan 8.150 nan 0.000 0.443 490 L N -0.593 120.663 121.223 0.055 0.000 2.046 490 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 490 L C 2.530 179.656 176.870 0.428 0.000 1.077 490 L CA 1.127 56.071 54.840 0.173 0.000 0.747 490 L CB -0.650 41.434 42.059 0.042 0.000 0.896 490 L HN 0.242 nan 8.230 nan 0.000 0.432 491 V N 0.137 120.330 119.914 0.465 0.000 2.295 491 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 491 V C 2.768 179.190 176.094 0.547 0.000 1.049 491 V CA 1.842 64.522 62.300 0.635 0.000 1.024 491 V CB -0.941 31.177 31.823 0.491 0.000 0.648 491 V HN 0.480 nan 8.190 nan 0.000 0.447 492 A N -0.589 122.429 122.820 0.329 0.000 1.972 492 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 492 A C 2.267 179.845 177.584 -0.011 0.000 1.169 492 A CA 2.296 54.365 52.037 0.054 0.000 0.635 492 A CB -0.545 18.400 19.000 -0.093 0.000 0.810 492 A HN 0.545 nan 8.150 nan 0.000 0.446 493 M N -1.823 117.834 119.600 0.095 0.000 2.080 493 M HA -0.198 4.281 4.480 -0.000 0.000 0.260 493 M C 1.967 178.209 176.300 -0.096 0.000 1.068 493 M CA 1.937 57.239 55.300 0.003 0.000 1.109 493 M CB -0.269 32.305 32.600 -0.043 0.000 1.342 493 M HN 0.508 nan 8.290 nan 0.000 0.405 494 Y N 0.578 120.872 120.300 -0.009 0.000 2.293 494 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 494 Y C 2.263 178.157 175.900 -0.010 0.000 1.137 494 Y CA 1.663 59.657 58.100 -0.177 0.000 1.202 494 Y CB -0.230 37.759 38.460 -0.784 0.000 0.990 494 Y HN 0.357 nan 8.280 nan 0.000 0.537 495 E N -0.794 119.567 120.200 0.269 0.000 2.085 495 E HA -0.235 4.114 4.350 -0.000 0.000 0.194 495 E C 1.802 178.507 176.600 0.174 0.000 0.994 495 E CA 1.403 57.980 56.400 0.295 0.000 0.801 495 E CB -0.166 29.656 29.700 0.203 0.000 0.743 495 E HN 0.573 nan 8.360 nan 0.000 0.453 496 H N 0.409 119.516 119.070 0.062 0.000 2.428 496 H HA -0.017 4.539 4.556 -0.000 0.000 0.296 496 H C 1.985 177.228 175.328 -0.141 0.000 1.062 496 H CA 0.965 56.889 56.048 -0.206 0.000 1.350 496 H CB -0.075 29.192 29.762 -0.825 0.000 1.403 496 H HN 0.108 nan 8.280 nan 0.000 0.533 497 K N 1.163 121.559 120.400 -0.006 0.000 2.032 497 K HA -0.125 4.194 4.320 -0.000 0.000 0.209 497 K C 2.078 178.698 176.600 0.033 0.000 1.048 497 K CA 1.380 57.645 56.287 -0.036 0.000 0.927 497 K CB -0.194 32.247 32.500 -0.098 0.000 0.712 497 K HN 0.141 nan 8.250 nan 0.000 0.441 498 I N 0.667 121.314 120.570 0.128 0.000 2.286 498 I HA -0.251 3.918 4.170 -0.000 0.000 0.248 498 I C 2.305 178.532 176.117 0.183 0.000 1.115 498 I CA 1.030 62.428 61.300 0.164 0.000 1.392 498 I CB -0.294 37.854 38.000 0.246 0.000 1.065 498 I HN 0.195 nan 8.210 nan 0.000 0.418 499 F N 1.209 121.249 119.950 0.150 0.000 2.102 499 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 499 F C 2.319 178.199 175.800 0.134 0.000 1.105 499 F CA 1.584 59.714 58.000 0.217 0.000 1.239 499 F CB -0.532 38.707 39.000 0.398 0.000 0.991 499 F HN -0.220 nan 8.300 nan 0.000 0.474 500 V N 0.682 120.554 119.914 -0.069 0.000 2.343 500 V HA -0.334 3.785 4.120 -0.000 0.000 0.247 500 V C 2.375 178.276 176.094 -0.322 0.000 1.051 500 V CA 2.319 64.498 62.300 -0.202 0.000 1.036 500 V CB -0.908 30.888 31.823 -0.045 0.000 0.654 500 V HN 0.418 nan 8.190 nan 0.000 0.451 501 Q N -0.012 119.589 119.800 -0.332 0.000 2.084 501 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 501 Q C 2.417 178.053 176.000 -0.606 0.000 0.978 501 Q CA 1.682 57.075 55.803 -0.683 0.000 0.844 501 Q CB -0.566 27.740 28.738 -0.720 0.000 0.898 501 Q HN 0.724 nan 8.270 nan 0.000 0.426 502 G N 1.147 109.835 108.800 -0.187 0.000 2.418 502 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 502 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 502 G C 1.382 176.265 174.900 -0.029 0.000 1.158 502 G CA 0.527 45.653 45.100 0.044 0.000 0.771 502 G HN 0.155 nan 8.290 nan 0.000 0.545 503 I N 1.147 121.587 120.570 -0.217 0.000 2.179 503 I HA -0.099 4.071 4.170 -0.000 0.000 0.242 503 I C 2.819 178.849 176.117 -0.144 0.000 1.088 503 I CA 0.802 61.989 61.300 -0.189 0.000 1.357 503 I CB -1.026 36.773 38.000 -0.335 0.000 1.051 503 I HN 0.184 nan 8.210 nan 0.000 0.409 504 I N -0.686 119.728 120.570 -0.261 0.000 2.226 504 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 504 I C 2.286 178.289 176.117 -0.191 0.000 1.100 504 I CA 1.271 62.398 61.300 -0.287 0.000 1.374 504 I CB -0.383 37.348 38.000 -0.448 0.000 1.057 504 I HN 0.322 nan 8.210 nan 0.000 0.413 505 W N 0.484 121.734 121.300 -0.084 0.000 2.800 505 W HA -0.048 4.611 4.660 -0.000 0.000 0.249 505 W C 0.845 177.398 176.519 0.057 0.000 1.294 505 W CA 0.577 57.908 57.345 -0.023 0.000 1.402 505 W CB -1.041 28.468 29.460 0.082 0.000 1.126 505 W HN 0.300 nan 8.180 nan 0.000 0.652 506 D N -0.249 120.276 120.400 0.209 0.000 2.981 506 D HA -0.213 4.427 4.640 -0.000 0.000 0.223 506 D C -0.199 176.242 176.300 0.235 0.000 1.151 506 D CA 1.030 55.132 54.000 0.171 0.000 0.827 506 D CB -1.446 39.428 40.800 0.124 0.000 1.101 506 D HN 0.206 nan 8.370 nan 0.000 0.426 507 I N -3.416 117.319 120.570 0.275 0.000 3.076 507 I HA 0.572 4.742 4.170 -0.000 0.000 0.313 507 I C 0.397 176.673 176.117 0.264 0.000 1.053 507 I CA -0.992 60.470 61.300 0.270 0.000 1.048 507 I CB 0.960 39.097 38.000 0.228 0.000 1.264 507 I HN -0.092 nan 8.210 nan 0.000 0.498 508 N N 1.186 119.990 118.700 0.174 0.000 2.485 508 N HA 0.278 5.018 4.740 -0.000 0.000 0.243 508 N C -0.041 175.434 175.510 -0.057 0.000 0.987 508 N CA -0.110 52.940 53.050 -0.001 0.000 0.940 508 N CB 1.014 39.335 38.487 -0.277 0.000 1.122 508 N HN 0.662 nan 8.380 nan 0.000 0.509 509 S N 2.478 118.036 115.700 -0.236 0.000 2.561 509 S HA 0.085 4.555 4.470 -0.000 0.000 0.225 509 S C 0.529 174.724 174.600 -0.675 0.000 0.977 509 S CA 0.446 58.328 58.200 -0.531 0.000 0.926 509 S CB -0.199 62.509 63.200 -0.821 0.000 0.769 509 S HN 0.616 nan 8.310 nan 0.000 0.533 510 F N 1.189 121.216 119.950 0.128 0.000 2.688 510 F HA 0.281 4.808 4.527 -0.000 0.000 0.310 510 F C 0.538 176.352 175.800 0.022 0.000 1.098 510 F CA -0.875 57.197 58.000 0.120 0.000 1.228 510 F CB 0.330 39.394 39.000 0.106 0.000 1.042 510 F HN 0.090 nan 8.300 nan 0.000 0.557 511 D N -0.365 120.053 120.400 0.031 0.000 2.592 511 D HA 0.351 4.991 4.640 -0.000 0.000 0.259 511 D C -0.187 176.004 176.300 -0.182 0.000 1.144 511 D CA -0.655 53.253 54.000 -0.153 0.000 1.080 511 D CB 0.685 41.352 40.800 -0.221 0.000 1.225 511 D HN 0.028 nan 8.370 nan 0.000 0.619 512 Q N -0.809 118.767 119.800 -0.374 0.000 3.311 512 Q HA 0.105 4.444 4.340 -0.000 0.000 0.254 512 Q C -0.768 175.126 176.000 -0.176 0.000 0.716 512 Q CA -0.496 55.192 55.803 -0.190 0.000 0.965 512 Q CB -1.368 27.292 28.738 -0.130 0.000 1.538 512 Q HN 0.751 nan 8.270 nan 0.000 0.372 513 W N 0.867 122.198 121.300 0.051 0.000 2.525 513 W HA 0.096 4.755 4.660 -0.000 0.000 0.259 513 W C 1.940 178.489 176.519 0.051 0.000 1.253 513 W CA 0.942 58.318 57.345 0.052 0.000 1.262 513 W CB 0.240 29.734 29.460 0.058 0.000 1.122 513 W HN 0.603 nan 8.180 nan 0.000 0.607 514 G N 0.405 109.338 108.800 0.223 0.000 2.708 514 G HA2 -0.137 3.822 3.960 -0.000 0.000 0.210 514 G HA3 -0.137 3.822 3.960 -0.000 0.000 0.210 514 G C 1.282 176.238 174.900 0.093 0.000 1.141 514 G CA 1.154 46.342 45.100 0.147 0.000 0.788 514 G HN 0.310 nan 8.290 nan 0.000 0.531 515 V N -2.679 117.285 119.914 0.083 0.000 3.590 515 V HA 0.281 4.401 4.120 -0.000 0.000 0.265 515 V C 1.922 178.057 176.094 0.068 0.000 1.239 515 V CA 1.330 63.660 62.300 0.050 0.000 1.117 515 V CB 0.294 32.126 31.823 0.014 0.000 0.818 515 V HN 0.337 nan 8.190 nan 0.000 0.451 516 E N 0.370 120.640 120.200 0.116 0.000 2.072 516 E HA -0.181 4.168 4.350 -0.000 0.000 0.191 516 E C 2.010 178.663 176.600 0.088 0.000 0.985 516 E CA 1.548 58.022 56.400 0.122 0.000 0.801 516 E CB -0.124 29.694 29.700 0.196 0.000 0.750 516 E HN 0.541 nan 8.360 nan 0.000 0.452 517 L N 0.451 121.723 121.223 0.081 0.000 2.012 517 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 517 L C 2.217 179.114 176.870 0.045 0.000 1.073 517 L CA 2.479 57.354 54.840 0.059 0.000 0.748 517 L CB -1.116 40.974 42.059 0.051 0.000 0.891 517 L HN 0.231 nan 8.230 nan 0.000 0.431 518 G N -0.884 107.938 108.800 0.037 0.000 2.442 518 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 518 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 518 G C 1.668 176.584 174.900 0.027 0.000 1.141 518 G CA 0.894 46.009 45.100 0.025 0.000 0.763 518 G HN 0.437 nan 8.290 nan 0.000 0.554 519 K N 0.057 120.477 120.400 0.033 0.000 2.057 519 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 519 K C 2.731 179.353 176.600 0.037 0.000 1.050 519 K CA 1.280 57.586 56.287 0.032 0.000 0.935 519 K CB -0.193 32.328 32.500 0.036 0.000 0.715 519 K HN 0.388 nan 8.250 nan 0.000 0.439 520 Q N 0.748 120.575 119.800 0.045 0.000 2.050 520 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 520 Q C 2.215 178.244 176.000 0.048 0.000 0.980 520 Q CA 1.158 56.989 55.803 0.047 0.000 0.840 520 Q CB -0.109 28.660 28.738 0.050 0.000 0.898 520 Q HN 0.278 nan 8.270 nan 0.000 0.424 521 L N 0.060 121.312 121.223 0.048 0.000 2.141 521 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 521 L C 2.481 179.380 176.870 0.048 0.000 1.094 521 L CA 0.743 55.618 54.840 0.058 0.000 0.763 521 L CB -0.616 41.473 42.059 0.050 0.000 0.908 521 L HN 0.218 nan 8.230 nan 0.000 0.437 522 A N 0.198 123.036 122.820 0.029 0.000 1.933 522 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 522 A C 2.299 179.901 177.584 0.029 0.000 1.175 522 A CA 1.716 53.765 52.037 0.019 0.000 0.628 522 A CB -0.333 18.674 19.000 0.012 0.000 0.814 522 A HN 0.168 nan 8.150 nan 0.000 0.444 523 K N 0.283 120.704 120.400 0.034 0.000 2.097 523 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 523 K C 1.908 178.534 176.600 0.044 0.000 1.049 523 K CA 1.794 58.102 56.287 0.035 0.000 0.933 523 K CB -0.181 32.339 32.500 0.033 0.000 0.717 523 K HN 0.533 nan 8.250 nan 0.000 0.442 524 K N -0.290 120.147 120.400 0.061 0.000 2.097 524 K HA -0.022 4.298 4.320 -0.000 0.000 0.205 524 K C 2.072 178.733 176.600 0.102 0.000 1.050 524 K CA 1.368 57.702 56.287 0.078 0.000 0.938 524 K CB -0.114 32.446 32.500 0.100 0.000 0.718 524 K HN 0.119 nan 8.250 nan 0.000 0.442 525 I N 1.475 122.108 120.570 0.104 0.000 2.315 525 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 525 I C 2.046 178.194 176.117 0.051 0.000 1.117 525 I CA 1.182 62.533 61.300 0.084 0.000 1.404 525 I CB -0.168 37.833 38.000 0.002 0.000 1.071 525 I HN 0.225 nan 8.210 nan 0.000 0.419 526 E N 1.158 121.380 120.200 0.037 0.000 2.035 526 E HA -0.248 4.102 4.350 -0.000 0.000 0.204 526 E C -0.593 176.023 176.600 0.027 0.000 1.025 526 E CA 1.839 58.255 56.400 0.026 0.000 0.835 526 E CB -1.386 28.326 29.700 0.021 0.000 0.764 526 E HN 0.461 nan 8.360 nan 0.000 0.457 527 P HA -0.160 nan 4.420 nan 0.000 0.220 527 P C 0.589 177.908 177.300 0.031 0.000 1.148 527 P CA 1.361 64.476 63.100 0.026 0.000 0.803 527 P CB -0.021 31.694 31.700 0.025 0.000 0.782 528 E N -0.295 119.932 120.200 0.046 0.000 2.274 528 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 528 E C 2.110 178.735 176.600 0.041 0.000 0.996 528 E CA 0.424 56.856 56.400 0.054 0.000 0.840 528 E CB -0.386 29.374 29.700 0.100 0.000 0.772 528 E HN 0.311 nan 8.360 nan 0.000 0.491 529 L N 1.140 122.381 121.223 0.030 0.000 2.156 529 L HA -0.056 4.283 4.340 -0.000 0.000 0.208 529 L C 0.660 177.537 176.870 0.013 0.000 1.095 529 L CA 0.396 55.247 54.840 0.019 0.000 0.770 529 L CB -0.254 41.812 42.059 0.012 0.000 0.914 529 L HN 0.021 nan 8.230 nan 0.000 0.439 530 D N 1.263 121.671 120.400 0.013 0.000 2.455 530 D HA 0.331 4.970 4.640 -0.000 0.000 0.241 530 D C 0.661 176.966 176.300 0.007 0.000 1.138 530 D CA 1.223 55.228 54.000 0.008 0.000 0.877 530 D CB 0.956 41.761 40.800 0.008 0.000 1.187 530 D HN 0.267 nan 8.370 nan 0.000 0.451 531 G N 1.315 110.116 108.800 0.002 0.000 2.707 531 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 531 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 531 G C 0.775 175.675 174.900 0.000 0.000 1.315 531 G CA -0.013 45.088 45.100 0.001 0.000 0.832 531 G HN 0.392 nan 8.290 nan 0.000 0.573 532 S N -0.208 115.491 115.700 -0.002 0.000 2.461 532 S HA 0.430 4.900 4.470 -0.000 0.000 0.228 532 S C 1.627 176.228 174.600 0.003 0.000 1.005 532 S CA 1.531 59.729 58.200 -0.003 0.000 0.942 532 S CB 0.034 63.231 63.200 -0.005 0.000 0.776 532 S HN 2.272 nan 8.310 nan 0.000 0.514 533 A N 2.295 125.119 122.820 0.007 0.000 2.548 533 A HA 0.190 4.510 4.320 -0.000 0.000 0.247 533 A C 0.434 178.029 177.584 0.018 0.000 1.067 533 A CA -0.180 51.863 52.037 0.011 0.000 0.757 533 A CB -0.085 18.922 19.000 0.011 0.000 0.996 533 A HN 0.527 nan 8.150 nan 0.000 0.504 534 Q N 0.981 120.793 119.800 0.020 0.000 2.392 534 Q HA 0.334 4.673 4.340 -0.000 0.000 0.262 534 Q C -0.477 175.545 176.000 0.036 0.000 1.003 534 Q CA -0.111 55.709 55.803 0.028 0.000 0.888 534 Q CB 1.067 29.821 28.738 0.027 0.000 1.260 534 Q HN 0.544 nan 8.270 nan 0.000 0.435 535 V N 1.770 121.715 119.914 0.053 0.000 2.472 535 V HA 0.213 4.333 4.120 -0.000 0.000 0.290 535 V C 0.808 176.948 176.094 0.076 0.000 1.037 535 V CA -0.043 62.300 62.300 0.072 0.000 0.908 535 V CB 1.540 33.430 31.823 0.112 0.000 0.985 535 V HN 1.059 nan 8.190 nan 0.000 0.454 536 T N -2.140 112.447 114.554 0.055 0.000 3.111 536 T HA 0.021 4.370 4.350 -0.000 0.000 0.284 536 T C 1.146 175.846 174.700 0.000 0.000 0.983 536 T CA 0.422 62.544 62.100 0.037 0.000 0.900 536 T CB 0.121 68.999 68.868 0.017 0.000 1.132 536 T HN 0.631 nan 8.240 nan 0.000 0.531 537 S N 0.592 116.263 115.700 -0.048 0.000 2.603 537 S HA 0.178 4.648 4.470 -0.000 0.000 0.220 537 S C 0.543 174.888 174.600 -0.426 0.000 0.967 537 S CA -0.406 57.653 58.200 -0.235 0.000 0.920 537 S CB -0.503 62.508 63.200 -0.314 0.000 0.773 537 S HN 0.688 nan 8.310 nan 0.000 0.529 538 H N 1.333 120.407 119.070 0.007 0.000 2.995 538 H HA 0.335 4.891 4.556 -0.000 0.000 0.305 538 H C -0.455 174.876 175.328 0.005 0.000 1.510 538 H CA -0.667 55.385 56.048 0.006 0.000 1.376 538 H CB 0.251 30.017 29.762 0.007 0.000 1.918 538 H HN 0.354 nan 8.280 nan 0.000 0.709 539 D N -0.145 120.348 120.400 0.156 0.000 2.362 539 D HA 0.018 4.658 4.640 -0.000 0.000 0.238 539 D C 0.906 177.250 176.300 0.074 0.000 1.212 539 D CA 0.034 54.082 54.000 0.080 0.000 0.902 539 D CB 1.125 41.958 40.800 0.056 0.000 1.180 539 D HN 0.540 nan 8.370 nan 0.000 0.445 540 A N 1.288 124.133 122.820 0.042 0.000 1.972 540 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 540 A C 2.337 179.935 177.584 0.023 0.000 1.169 540 A CA 2.033 54.089 52.037 0.032 0.000 0.635 540 A CB -0.727 18.284 19.000 0.018 0.000 0.810 540 A HN 0.637 nan 8.150 nan 0.000 0.446 541 S N -0.978 114.729 115.700 0.011 0.000 2.338 541 S HA -0.138 4.332 4.470 -0.000 0.000 0.218 541 S C 2.108 176.701 174.600 -0.013 0.000 1.032 541 S CA 2.170 60.366 58.200 -0.008 0.000 0.999 541 S CB -0.737 62.452 63.200 -0.017 0.000 0.905 541 S HN 0.583 nan 8.310 nan 0.000 0.439 542 T N 3.030 117.574 114.554 -0.017 0.000 2.665 542 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 542 T C 1.762 176.438 174.700 -0.041 0.000 1.035 542 T CA 1.697 63.754 62.100 -0.071 0.000 1.151 542 T CB -0.730 68.055 68.868 -0.138 0.000 0.862 542 T HN 0.416 nan 8.240 nan 0.000 0.438 543 N N 1.006 119.730 118.700 0.040 0.000 2.069 543 N HA -0.057 4.683 4.740 -0.000 0.000 0.191 543 N C 2.191 177.732 175.510 0.051 0.000 1.031 543 N CA 1.441 54.536 53.050 0.074 0.000 0.852 543 N CB -0.972 37.569 38.487 0.090 0.000 1.018 543 N HN 0.514 nan 8.380 nan 0.000 0.423 544 G N 1.105 109.927 108.800 0.037 0.000 2.418 544 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 544 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 544 G C 1.725 176.662 174.900 0.061 0.000 1.158 544 G CA 0.407 45.532 45.100 0.041 0.000 0.771 544 G HN 0.223 nan 8.290 nan 0.000 0.545 545 L N 0.022 121.263 121.223 0.031 0.000 2.027 545 L HA 0.003 4.343 4.340 -0.000 0.000 0.206 545 L C 2.850 179.779 176.870 0.098 0.000 1.074 545 L CA 0.737 55.607 54.840 0.051 0.000 0.745 545 L CB -0.362 41.697 42.059 -0.001 0.000 0.898 545 L HN 0.170 nan 8.230 nan 0.000 0.433 546 I N 0.066 120.664 120.570 0.046 0.000 2.208 546 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 546 I C 2.169 178.326 176.117 0.068 0.000 1.097 546 I CA 1.220 62.546 61.300 0.043 0.000 1.363 546 I CB -0.421 37.591 38.000 0.020 0.000 1.051 546 I HN 0.361 nan 8.210 nan 0.000 0.413 547 N N 0.478 119.227 118.700 0.082 0.000 2.244 547 N HA -0.190 4.550 4.740 -0.000 0.000 0.183 547 N C 1.732 177.303 175.510 0.102 0.000 1.016 547 N CA 1.195 54.292 53.050 0.077 0.000 0.866 547 N CB -0.462 38.069 38.487 0.073 0.000 0.980 547 N HN 0.314 nan 8.380 nan 0.000 0.430 548 F N 1.560 121.508 119.950 -0.003 0.000 2.146 548 F HA 0.034 4.561 4.527 -0.000 0.000 0.298 548 F C 2.045 177.842 175.800 -0.005 0.000 1.096 548 F CA 0.805 58.803 58.000 -0.004 0.000 1.275 548 F CB -0.207 38.789 39.000 -0.006 0.000 1.008 548 F HN -0.111 nan 8.300 nan 0.000 0.480 549 I N 0.501 121.112 120.570 0.068 0.000 2.163 549 I HA -0.338 3.832 4.170 -0.000 0.000 0.243 549 I C 2.332 178.391 176.117 -0.098 0.000 1.085 549 I CA 1.614 62.894 61.300 -0.033 0.000 1.347 549 I CB -0.473 37.553 38.000 0.043 0.000 1.044 549 I HN 0.078 nan 8.210 nan 0.000 0.408 550 K N 0.107 120.476 120.400 -0.051 0.000 2.097 550 K HA -0.254 4.066 4.320 -0.000 0.000 0.206 550 K C 2.150 178.696 176.600 -0.090 0.000 1.049 550 K CA 1.341 57.597 56.287 -0.051 0.000 0.933 550 K CB -0.214 32.276 32.500 -0.017 0.000 0.717 550 K HN 0.388 nan 8.250 nan 0.000 0.442 551 Q N 0.680 120.403 119.800 -0.128 0.000 2.050 551 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 551 Q C 1.874 177.744 176.000 -0.215 0.000 0.980 551 Q CA 1.310 57.020 55.803 -0.154 0.000 0.840 551 Q CB 0.220 28.863 28.738 -0.158 0.000 0.898 551 Q HN 0.228 nan 8.270 nan 0.000 0.424 552 Q N 0.027 119.612 119.800 -0.359 0.000 2.435 552 Q HA -0.054 4.286 4.340 -0.000 0.000 0.207 552 Q C 1.766 177.652 176.000 -0.190 0.000 0.956 552 Q CA 0.550 56.146 55.803 -0.345 0.000 0.917 552 Q CB -0.026 28.357 28.738 -0.593 0.000 0.997 552 Q HN 0.314 nan 8.270 nan 0.000 0.497 553 R N 0.917 121.330 120.500 -0.146 0.000 2.127 553 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 553 R C 1.196 177.454 176.300 -0.069 0.000 1.134 553 R CA 1.053 57.102 56.100 -0.086 0.000 0.975 553 R CB 0.327 30.588 30.300 -0.064 0.000 0.865 553 R HN 0.076 nan 8.270 nan 0.000 0.447 554 E N -0.263 119.891 120.200 -0.077 0.000 2.489 554 E HA 0.111 4.461 4.350 -0.000 0.000 0.193 554 E C -0.111 176.456 176.600 -0.054 0.000 1.057 554 E CA 0.305 56.671 56.400 -0.056 0.000 0.866 554 E CB 0.502 30.171 29.700 -0.051 0.000 0.916 554 E HN 0.310 nan 8.360 nan 0.000 0.500 555 A N 1.800 124.579 122.820 -0.070 0.000 2.340 555 A HA 0.456 4.776 4.320 -0.000 0.000 0.268 555 A C -0.173 177.388 177.584 -0.039 0.000 1.100 555 A CA -0.537 51.466 52.037 -0.057 0.000 0.803 555 A CB 0.265 19.220 19.000 -0.075 0.000 1.043 555 A HN -0.012 nan 8.150 nan 0.000 0.488 556 R N 0.906 121.390 120.500 -0.027 0.000 2.343 556 R HA 0.569 4.909 4.340 -0.000 0.000 0.320 556 R C -0.287 176.005 176.300 -0.013 0.000 0.956 556 R CA -0.481 55.609 56.100 -0.018 0.000 0.836 556 R CB 0.840 31.131 30.300 -0.014 0.000 1.151 556 R HN 0.686 nan 8.270 nan 0.000 0.450 557 V N 0.000 119.908 119.914 -0.009 0.000 2.409 557 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 557 V CA 0.000 62.298 62.300 -0.004 0.000 1.235 557 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 557 V HN 0.000 nan 8.190 nan 0.000 0.556