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 2w7g_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE FAEGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD 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 0.000 176.207 176.300 -0.156 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 1 M CB 0.000 32.633 32.600 0.056 0.000 1.302 2 K N 0.603 120.872 120.400 -0.218 0.000 2.362 2 K HA 0.212 4.557 4.320 0.042 0.000 0.203 2 K C 0.710 176.999 176.600 -0.519 0.000 1.198 2 K CA 0.707 56.725 56.287 -0.449 0.000 0.908 2 K CB 0.506 32.601 32.500 -0.675 0.000 1.236 2 K HN 0.659 nan 8.250 nan 0.000 0.487 3 Y N 0.585 120.818 120.300 -0.111 0.000 2.389 3 Y HA -0.005 4.557 4.550 0.020 0.000 0.292 3 Y C 1.913 177.743 175.900 -0.117 0.000 1.117 3 Y CA 0.141 58.182 58.100 -0.099 0.000 1.195 3 Y CB -0.113 38.309 38.460 -0.064 0.000 1.076 3 Y HN 0.022 nan 8.280 nan 0.000 0.548 4 L N 1.440 122.671 121.223 0.014 0.000 2.042 4 L HA -0.086 4.279 4.340 0.042 0.000 0.210 4 L C -0.893 175.878 176.870 -0.166 0.000 1.076 4 L CA 2.013 56.840 54.840 -0.021 0.000 0.749 4 L CB -1.610 40.486 42.059 0.062 0.000 0.893 4 L HN 0.011 nan 8.230 nan 0.000 0.432 5 P HA -0.187 nan 4.420 nan 0.000 0.216 5 P C 1.452 178.587 177.300 -0.275 0.000 1.150 5 P CA 1.199 63.865 63.100 -0.723 0.000 0.837 5 P CB 0.067 31.100 31.700 -1.111 0.000 0.786 6 Q N 0.113 119.794 119.800 -0.199 0.000 2.049 6 Q HA -0.191 4.175 4.340 0.042 0.000 0.198 6 Q C 2.321 178.300 176.000 -0.036 0.000 0.971 6 Q CA 1.813 57.559 55.803 -0.095 0.000 0.833 6 Q CB -0.855 27.838 28.738 -0.076 0.000 0.896 6 Q HN 0.172 nan 8.270 nan 0.000 0.434 7 Q N -0.407 119.385 119.800 -0.013 0.000 2.137 7 Q HA -0.055 4.310 4.340 0.042 0.000 0.198 7 Q C -0.311 175.697 176.000 0.014 0.000 0.960 7 Q CA 1.526 57.336 55.803 0.010 0.000 0.847 7 Q CB 0.326 29.080 28.738 0.027 0.000 0.915 7 Q HN 0.136 nan 8.270 nan 0.000 0.448 8 D N -0.886 119.528 120.400 0.022 0.000 2.517 8 D HA 0.211 4.876 4.640 0.042 0.000 0.263 8 D C -2.243 174.109 176.300 0.087 0.000 1.233 8 D CA -1.860 52.169 54.000 0.048 0.000 0.849 8 D CB 1.441 42.274 40.800 0.055 0.000 1.261 8 D HN -0.008 nan 8.370 nan 0.000 0.516 9 P HA -0.149 nan 4.420 nan 0.000 0.215 9 P C 1.435 178.814 177.300 0.132 0.000 1.153 9 P CA 1.206 64.378 63.100 0.120 0.000 0.853 9 P CB 0.553 32.297 31.700 0.073 0.000 0.788 10 Q N -0.745 119.104 119.800 0.081 0.000 2.050 10 Q HA -0.114 4.251 4.340 0.042 0.000 0.202 10 Q C 2.149 178.185 176.000 0.061 0.000 0.980 10 Q CA 1.412 57.250 55.803 0.058 0.000 0.840 10 Q CB -0.842 27.919 28.738 0.037 0.000 0.898 10 Q HN 0.103 nan 8.270 nan 0.000 0.424 11 V N 0.464 120.424 119.914 0.077 0.000 2.358 11 V HA -0.230 3.915 4.120 0.042 0.000 0.246 11 V C 1.925 178.081 176.094 0.104 0.000 1.047 11 V CA 1.650 63.995 62.300 0.074 0.000 1.035 11 V CB -0.575 31.290 31.823 0.071 0.000 0.658 11 V HN 0.313 nan 8.190 nan 0.000 0.452 12 F N 1.597 121.550 119.950 0.004 0.000 2.134 12 F HA -0.164 4.378 4.527 0.024 0.000 0.299 12 F C 2.262 178.063 175.800 0.002 0.000 1.097 12 F CA 1.341 59.343 58.000 0.003 0.000 1.264 12 F CB -0.607 38.393 39.000 0.001 0.000 1.001 12 F HN 0.080 nan 8.300 nan 0.000 0.479 13 A N 0.350 123.146 122.820 -0.041 0.000 1.908 13 A HA -0.082 4.264 4.320 0.042 0.000 0.218 13 A C 2.436 179.924 177.584 -0.160 0.000 1.181 13 A CA 1.988 53.946 52.037 -0.132 0.000 0.627 13 A CB -1.575 17.419 19.000 -0.011 0.000 0.818 13 A HN 0.500 nan 8.150 nan 0.000 0.445 14 A N -0.188 122.579 122.820 -0.090 0.000 1.898 14 A HA -0.028 4.318 4.320 0.042 0.000 0.216 14 A C 2.119 179.645 177.584 -0.097 0.000 1.181 14 A CA 1.384 53.379 52.037 -0.070 0.000 0.620 14 A CB -0.593 18.390 19.000 -0.029 0.000 0.819 14 A HN 0.487 nan 8.150 nan 0.000 0.442 15 I N -0.256 120.244 120.570 -0.118 0.000 2.163 15 I HA -0.251 3.944 4.170 0.042 0.000 0.243 15 I C 2.484 178.481 176.117 -0.200 0.000 1.085 15 I CA 1.392 62.618 61.300 -0.125 0.000 1.347 15 I CB -0.348 37.603 38.000 -0.082 0.000 1.044 15 I HN 0.312 nan 8.210 nan 0.000 0.408 16 E N 0.563 120.536 120.200 -0.379 0.000 2.110 16 E HA -0.238 4.137 4.350 0.042 0.000 0.193 16 E C 2.160 178.644 176.600 -0.194 0.000 0.988 16 E CA 1.178 57.352 56.400 -0.377 0.000 0.804 16 E CB -0.262 29.067 29.700 -0.618 0.000 0.745 16 E HN 0.595 nan 8.360 nan 0.000 0.458 17 Q N 0.326 120.034 119.800 -0.153 0.000 2.061 17 Q HA -0.220 4.145 4.340 0.042 0.000 0.204 17 Q C 2.163 178.133 176.000 -0.049 0.000 0.984 17 Q CA 1.724 57.479 55.803 -0.080 0.000 0.846 17 Q CB -0.131 28.571 28.738 -0.060 0.000 0.902 17 Q HN 0.104 nan 8.270 nan 0.000 0.421 18 E N 1.048 121.218 120.200 -0.049 0.000 2.077 18 E HA -0.205 4.170 4.350 0.042 0.000 0.193 18 E C 1.820 178.420 176.600 0.001 0.000 0.989 18 E CA 1.360 57.751 56.400 -0.015 0.000 0.800 18 E CB -0.078 29.615 29.700 -0.012 0.000 0.746 18 E HN 0.171 nan 8.360 nan 0.000 0.452 19 R N 0.180 120.664 120.500 -0.026 0.000 2.083 19 R HA -0.155 4.210 4.340 0.042 0.000 0.237 19 R C 2.185 178.485 176.300 -0.001 0.000 1.137 19 R CA 2.085 58.175 56.100 -0.016 0.000 0.951 19 R CB -0.076 30.194 30.300 -0.051 0.000 0.851 19 R HN 0.084 nan 8.270 nan 0.000 0.434 20 K N -0.383 120.008 120.400 -0.015 0.000 2.097 20 K HA -0.131 4.214 4.320 0.042 0.000 0.205 20 K C 2.258 178.893 176.600 0.058 0.000 1.050 20 K CA 1.152 57.448 56.287 0.014 0.000 0.938 20 K CB -0.167 32.325 32.500 -0.013 0.000 0.718 20 K HN 0.128 nan 8.250 nan 0.000 0.442 21 R N 1.535 122.058 120.500 0.038 0.000 2.073 21 R HA -0.189 4.176 4.340 0.042 0.000 0.234 21 R C 2.129 178.469 176.300 0.068 0.000 1.134 21 R CA 1.744 57.872 56.100 0.047 0.000 0.952 21 R CB -0.088 30.233 30.300 0.035 0.000 0.850 21 R HN 0.281 nan 8.270 nan 0.000 0.433 22 Q N -1.163 118.687 119.800 0.085 0.000 2.152 22 Q HA -0.261 4.104 4.340 0.042 0.000 0.206 22 Q C 1.987 177.993 176.000 0.010 0.000 0.985 22 Q CA 2.136 58.013 55.803 0.124 0.000 0.863 22 Q CB -0.236 28.606 28.738 0.172 0.000 0.904 22 Q HN 0.554 nan 8.270 nan 0.000 0.422 23 H N -0.496 118.523 119.070 -0.085 0.000 2.395 23 H HA 0.056 4.636 4.556 0.041 0.000 0.299 23 H C 1.724 177.031 175.328 -0.036 0.000 1.070 23 H CA 1.424 57.409 56.048 -0.106 0.000 1.356 23 H CB 0.103 29.813 29.762 -0.087 0.000 1.401 23 H HN 0.233 nan 8.280 nan 0.000 0.524 24 A N 0.732 123.550 122.820 -0.003 0.000 1.975 24 A HA 0.077 4.423 4.320 0.042 0.000 0.215 24 A C 0.947 178.515 177.584 -0.027 0.000 1.170 24 A CA 0.348 52.378 52.037 -0.012 0.000 0.656 24 A CB 0.081 19.118 19.000 0.062 0.000 0.821 24 A HN 0.137 nan 8.150 nan 0.000 0.449 25 K N -0.106 120.293 120.400 -0.002 0.000 2.098 25 K HA 0.493 4.838 4.320 0.042 0.000 0.257 25 K C -0.686 175.924 176.600 0.017 0.000 0.999 25 K CA -0.363 55.936 56.287 0.021 0.000 0.924 25 K CB 0.958 33.483 32.500 0.042 0.000 1.028 25 K HN 0.240 nan 8.250 nan 0.000 0.466 26 I N 2.083 122.675 120.570 0.035 0.000 2.291 26 I HA 0.026 4.221 4.170 0.042 0.000 0.292 26 I C 0.358 176.490 176.117 0.025 0.000 1.064 26 I CA -0.583 60.736 61.300 0.031 0.000 1.269 26 I CB 0.698 38.753 38.000 0.091 0.000 1.418 26 I HN 0.415 nan 8.210 nan 0.000 0.485 27 E N 7.468 127.683 120.200 0.025 0.000 2.052 27 E HA 0.238 4.613 4.350 0.042 0.000 0.283 27 E C -0.180 176.413 176.600 -0.013 0.000 1.071 27 E CA 0.109 56.523 56.400 0.024 0.000 0.851 27 E CB 0.567 30.302 29.700 0.059 0.000 1.066 27 E HN 0.577 nan 8.360 nan 0.000 0.396 28 L N 5.062 126.281 121.223 -0.007 0.000 2.959 28 L HA 0.361 4.726 4.340 0.042 0.000 0.259 28 L C 0.233 177.099 176.870 -0.005 0.000 1.185 28 L CA -0.383 54.453 54.840 -0.007 0.000 0.998 28 L CB 0.131 42.187 42.059 -0.004 0.000 1.337 28 L HN 0.528 nan 8.230 nan 0.000 0.555 29 I N 0.998 121.564 120.570 -0.007 0.000 2.598 29 I HA -0.054 4.141 4.170 0.042 0.000 0.284 29 I C 1.635 177.773 176.117 0.035 0.000 1.140 29 I CA 0.043 61.349 61.300 0.010 0.000 1.420 29 I CB 1.462 39.465 38.000 0.004 0.000 1.387 29 I HN 0.168 nan 8.210 nan 0.000 0.553 30 A N 4.547 127.417 122.820 0.084 0.000 2.019 30 A HA -0.146 4.199 4.320 0.042 0.000 0.219 30 A C 2.130 179.863 177.584 0.248 0.000 1.164 30 A CA 1.832 53.971 52.037 0.170 0.000 0.644 30 A CB -0.421 18.665 19.000 0.143 0.000 0.805 30 A HN 0.810 nan 8.150 nan 0.000 0.449 31 S N -1.014 114.780 115.700 0.156 0.000 2.575 31 S HA 0.178 4.673 4.470 0.042 0.000 0.215 31 S C 0.440 175.015 174.600 -0.042 0.000 0.966 31 S CA -0.242 57.930 58.200 -0.046 0.000 0.911 31 S CB 0.064 63.235 63.200 -0.048 0.000 0.780 31 S HN 0.609 nan 8.310 nan 0.000 0.514 32 E N 1.237 121.414 120.200 -0.037 0.000 2.283 32 E HA 0.523 4.898 4.350 0.042 0.000 0.267 32 E C -0.458 176.021 176.600 -0.202 0.000 1.045 32 E CA -0.600 55.726 56.400 -0.123 0.000 0.884 32 E CB 0.650 30.250 29.700 -0.167 0.000 1.106 32 E HN 0.176 nan 8.360 nan 0.000 0.408 33 N N 0.257 118.755 118.700 -0.338 0.000 3.308 33 N HA 0.353 5.118 4.740 0.042 0.000 0.276 33 N C -1.926 173.215 175.510 -0.614 0.000 1.533 33 N CA -0.539 52.285 53.050 -0.376 0.000 0.878 33 N CB 0.881 39.328 38.487 -0.067 0.000 1.566 33 N HN 0.207 nan 8.380 nan 0.000 0.546 34 F N 0.914 120.876 119.950 0.019 0.000 2.507 34 F HA 0.399 4.947 4.527 0.034 0.000 0.328 34 F C 0.626 176.422 175.800 -0.006 0.000 1.136 34 F CA -0.872 57.129 58.000 0.002 0.000 0.930 34 F CB 1.328 40.321 39.000 -0.011 0.000 1.166 34 F HN 0.141 nan 8.300 nan 0.000 0.436 35 V N 0.175 120.185 119.914 0.160 0.000 3.036 35 V HA 0.698 4.843 4.120 0.042 0.000 0.308 35 V C 0.365 176.502 176.094 0.072 0.000 1.070 35 V CA -0.835 61.515 62.300 0.084 0.000 1.056 35 V CB 1.187 33.039 31.823 0.049 0.000 1.084 35 V HN 0.844 nan 8.190 nan 0.000 0.471 36 S N 2.490 118.212 115.700 0.037 0.000 2.600 36 S HA 0.315 4.810 4.470 0.042 0.000 0.265 36 S C 0.899 175.511 174.600 0.021 0.000 1.325 36 S CA -0.092 58.122 58.200 0.023 0.000 1.002 36 S CB 0.621 63.827 63.200 0.009 0.000 0.921 36 S HN 0.762 nan 8.310 nan 0.000 0.554 37 R N 0.790 121.300 120.500 0.016 0.000 2.115 37 R HA -0.044 4.321 4.340 0.042 0.000 0.230 37 R C 2.603 178.908 176.300 0.010 0.000 1.111 37 R CA 1.278 57.387 56.100 0.014 0.000 0.976 37 R CB -0.960 29.347 30.300 0.011 0.000 0.870 37 R HN 0.831 nan 8.270 nan 0.000 0.445 38 A N 0.572 123.395 122.820 0.004 0.000 1.908 38 A HA -0.145 4.201 4.320 0.042 0.000 0.218 38 A C 2.308 179.887 177.584 -0.009 0.000 1.181 38 A CA 1.498 53.533 52.037 -0.002 0.000 0.627 38 A CB -0.591 18.405 19.000 -0.006 0.000 0.818 38 A HN 0.132 nan 8.150 nan 0.000 0.445 39 V N -0.102 119.805 119.914 -0.012 0.000 2.295 39 V HA -0.323 3.822 4.120 0.042 0.000 0.246 39 V C 2.664 178.752 176.094 -0.010 0.000 1.049 39 V CA 2.312 64.597 62.300 -0.024 0.000 1.024 39 V CB -0.637 31.171 31.823 -0.026 0.000 0.648 39 V HN 0.591 nan 8.190 nan 0.000 0.447 40 M N -0.837 118.767 119.600 0.006 0.000 2.117 40 M HA -0.210 4.295 4.480 0.042 0.000 0.262 40 M C 2.179 178.492 176.300 0.023 0.000 1.065 40 M CA 1.849 57.160 55.300 0.018 0.000 1.114 40 M CB -0.534 32.083 32.600 0.027 0.000 1.361 40 M HN 0.364 nan 8.290 nan 0.000 0.408 41 E N 0.466 120.677 120.200 0.017 0.000 2.110 41 E HA -0.167 4.208 4.350 0.042 0.000 0.193 41 E C 2.100 178.711 176.600 0.020 0.000 0.988 41 E CA 1.253 57.664 56.400 0.019 0.000 0.804 41 E CB -0.141 29.567 29.700 0.012 0.000 0.745 41 E HN 0.509 nan 8.360 nan 0.000 0.458 42 A N 1.171 123.998 122.820 0.011 0.000 1.902 42 A HA -0.245 4.101 4.320 0.042 0.000 0.217 42 A C 2.047 179.659 177.584 0.047 0.000 1.181 42 A CA 1.308 53.353 52.037 0.013 0.000 0.623 42 A CB -0.381 18.610 19.000 -0.016 0.000 0.818 42 A HN 0.181 nan 8.150 nan 0.000 0.443 43 Q N -1.015 118.812 119.800 0.044 0.000 2.167 43 Q HA -0.093 4.272 4.340 0.042 0.000 0.202 43 Q C 1.701 177.786 176.000 0.142 0.000 0.970 43 Q CA 1.086 56.948 55.803 0.099 0.000 0.855 43 Q CB -0.285 28.483 28.738 0.049 0.000 0.911 43 Q HN 0.655 nan 8.270 nan 0.000 0.438 44 G N 1.140 109.983 108.800 0.072 0.000 3.383 44 G HA2 0.057 4.042 3.960 0.042 0.000 0.251 44 G HA3 0.057 4.042 3.960 0.042 0.000 0.251 44 G C 0.280 175.190 174.900 0.018 0.000 1.203 44 G CA 0.009 45.136 45.100 0.045 0.000 0.852 44 G HN 0.246 nan 8.290 nan 0.000 0.531 45 S N -0.860 114.856 115.700 0.027 0.000 2.681 45 S HA 0.284 4.779 4.470 0.042 0.000 0.270 45 S C 1.592 176.169 174.600 -0.038 0.000 1.209 45 S CA 0.045 58.248 58.200 0.004 0.000 0.988 45 S CB 1.494 64.709 63.200 0.025 0.000 1.006 45 S HN 0.537 nan 8.310 nan 0.000 0.558 46 V N -0.833 119.060 119.914 -0.035 0.000 3.241 46 V HA 0.032 4.177 4.120 0.042 0.000 0.269 46 V C 1.723 177.787 176.094 -0.049 0.000 1.151 46 V CA 0.853 63.120 62.300 -0.054 0.000 1.158 46 V CB -1.407 30.394 31.823 -0.037 0.000 0.764 46 V HN 0.681 nan 8.190 nan 0.000 0.508 47 L N 0.994 122.208 121.223 -0.016 0.000 2.353 47 L HA -0.093 4.272 4.340 0.042 0.000 0.220 47 L C 2.745 179.608 176.870 -0.012 0.000 1.133 47 L CA 2.282 57.139 54.840 0.028 0.000 0.798 47 L CB -1.347 40.769 42.059 0.094 0.000 0.922 47 L HN 0.521 nan 8.230 nan 0.000 0.445 48 T N -1.037 113.360 114.554 -0.261 0.000 2.897 48 T HA -0.179 4.196 4.350 0.042 0.000 0.271 48 T C 1.557 176.151 174.700 -0.176 0.000 1.084 48 T CA 1.722 63.526 62.100 -0.494 0.000 1.123 48 T CB -0.399 67.962 68.868 -0.846 0.000 0.865 48 T HN 0.536 nan 8.240 nan 0.000 0.496 49 N N -0.105 118.532 118.700 -0.106 0.000 2.515 49 N HA 0.040 4.805 4.740 0.042 0.000 0.185 49 N C 0.330 175.839 175.510 -0.003 0.000 1.109 49 N CA 0.158 53.175 53.050 -0.055 0.000 0.903 49 N CB 0.169 38.629 38.487 -0.047 0.000 0.969 49 N HN 0.116 nan 8.380 nan 0.000 0.450 50 K N 1.030 121.446 120.400 0.026 0.000 2.234 50 K HA 0.166 4.511 4.320 0.042 0.000 0.277 50 K C -1.306 175.360 176.600 0.111 0.000 1.038 50 K CA -0.557 55.767 56.287 0.061 0.000 0.888 50 K CB 0.209 32.739 32.500 0.050 0.000 1.091 50 K HN -0.155 nan 8.250 nan 0.000 0.467 51 F N 3.819 123.714 119.950 -0.092 0.000 2.445 51 F HA 0.439 4.989 4.527 0.038 0.000 0.359 51 F C 0.058 175.783 175.800 -0.124 0.000 1.101 51 F CA -0.699 57.206 58.000 -0.158 0.000 1.177 51 F CB 0.730 39.563 39.000 -0.279 0.000 1.110 51 F HN 0.619 nan 8.300 nan 0.000 0.522 52 A N 5.369 127.912 122.820 -0.460 0.000 2.806 52 A HA 0.250 4.595 4.320 0.042 0.000 0.266 52 A C 0.107 177.374 177.584 -0.528 0.000 0.926 52 A CA -0.501 51.297 52.037 -0.399 0.000 1.068 52 A CB -0.612 18.276 19.000 -0.186 0.000 1.189 52 A HN 0.720 nan 8.150 nan 0.000 0.481 53 E N 0.375 120.054 120.200 -0.869 0.000 2.502 53 E HA 0.334 4.709 4.350 0.042 0.000 0.261 53 E C 0.991 177.341 176.600 -0.418 0.000 0.974 53 E CA 1.517 57.422 56.400 -0.825 0.000 0.936 53 E CB 0.467 29.658 29.700 -0.848 0.000 0.926 53 E HN 1.013 nan 8.360 nan 0.000 0.459 54 G N 1.949 110.432 108.800 -0.528 0.000 2.428 54 G HA2 -0.204 3.781 3.960 0.042 0.000 0.202 54 G HA3 -0.204 3.781 3.960 0.042 0.000 0.202 54 G C -1.512 173.079 174.900 -0.515 0.000 1.247 54 G CA -0.750 44.268 45.100 -0.138 0.000 1.020 54 G HN 0.445 nan 8.290 nan 0.000 0.529 55 Y N 0.039 120.326 120.300 -0.022 0.000 2.633 55 Y HA 0.611 5.187 4.550 0.043 0.000 0.339 55 Y C -1.997 173.876 175.900 -0.045 0.000 1.045 55 Y CA -1.867 56.230 58.100 -0.005 0.000 1.098 55 Y CB 2.057 40.551 38.460 0.057 0.000 1.296 55 Y HN 0.416 nan 8.280 nan 0.000 0.494 56 P HA 0.037 nan 4.420 nan 0.000 0.261 56 P C 0.566 177.882 177.300 0.027 0.000 1.183 56 P CA 1.909 65.039 63.100 0.050 0.000 0.761 56 P CB 0.185 31.924 31.700 0.065 0.000 0.785 57 G N 3.184 111.970 108.800 -0.022 0.000 2.175 57 G HA2 -0.282 3.703 3.960 0.042 0.000 0.265 57 G HA3 -0.282 3.703 3.960 0.042 0.000 0.265 57 G C 0.576 175.440 174.900 -0.061 0.000 0.979 57 G CA -0.139 44.937 45.100 -0.040 0.000 0.663 57 G HN 0.556 nan 8.290 nan 0.000 0.533 58 R N -0.240 120.215 120.500 -0.074 0.000 2.688 58 R HA 0.220 4.586 4.340 0.042 0.000 0.396 58 R C 0.476 176.592 176.300 -0.305 0.000 1.081 58 R CA -0.460 55.553 56.100 -0.145 0.000 1.093 58 R CB 0.295 30.568 30.300 -0.044 0.000 1.338 58 R HN 0.260 nan 8.270 nan 0.000 0.613 59 R N -0.099 120.232 120.500 -0.281 0.000 2.528 59 R HA 0.237 4.602 4.340 0.042 0.000 0.271 59 R C 0.510 176.546 176.300 -0.440 0.000 1.056 59 R CA -0.270 55.648 56.100 -0.305 0.000 1.117 59 R CB 0.507 30.710 30.300 -0.161 0.000 1.085 59 R HN 0.124 nan 8.270 nan 0.000 0.530 60 Y N -0.442 119.784 120.300 -0.124 0.000 2.457 60 Y HA 0.200 4.775 4.550 0.040 0.000 0.263 60 Y C -0.211 175.276 175.900 -0.688 0.000 1.164 60 Y CA 0.082 58.010 58.100 -0.288 0.000 1.274 60 Y CB 0.350 38.687 38.460 -0.204 0.000 1.097 60 Y HN 0.402 nan 8.280 nan 0.000 0.523 61 Y N -0.754 119.519 120.300 -0.046 0.000 2.477 61 Y HA 0.596 5.172 4.550 0.044 0.000 0.347 61 Y C 0.797 176.663 175.900 -0.057 0.000 0.981 61 Y CA -1.798 56.282 58.100 -0.034 0.000 1.033 61 Y CB 1.227 39.648 38.460 -0.065 0.000 1.245 61 Y HN -0.071 nan 8.280 nan 0.000 0.455 62 G N 0.118 108.968 108.800 0.085 0.000 2.653 62 G HA2 0.390 4.375 3.960 0.042 0.000 0.265 62 G HA3 0.390 4.375 3.960 0.042 0.000 0.265 62 G C 0.871 175.790 174.900 0.031 0.000 1.237 62 G CA -0.076 45.040 45.100 0.026 0.000 0.946 62 G HN 1.452 nan 8.290 nan 0.000 0.522 63 G N -2.624 106.168 108.800 -0.013 0.000 2.148 63 G HA2 -0.295 3.690 3.960 0.042 0.000 0.254 63 G HA3 -0.295 3.690 3.960 0.042 0.000 0.254 63 G C 0.888 175.754 174.900 -0.057 0.000 0.981 63 G CA 0.640 45.727 45.100 -0.022 0.000 0.670 63 G HN 0.954 nan 8.290 nan 0.000 0.528 64 C N 0.471 119.721 119.300 -0.083 0.000 2.625 64 C HA 0.368 4.853 4.460 0.042 0.000 0.285 64 C C 2.216 177.111 174.990 -0.158 0.000 1.279 64 C CA 0.354 59.319 59.018 -0.089 0.000 1.698 64 C CB -0.667 27.027 27.740 -0.077 0.000 1.821 64 C HN 0.635 nan 8.230 nan 0.000 0.600 65 E N 0.685 120.696 120.200 -0.315 0.000 2.130 65 E HA -0.198 4.177 4.350 0.042 0.000 0.196 65 E C 1.160 177.527 176.600 -0.389 0.000 0.998 65 E CA 1.847 57.971 56.400 -0.459 0.000 0.806 65 E CB -0.175 29.056 29.700 -0.782 0.000 0.738 65 E HN 0.809 nan 8.360 nan 0.000 0.459 66 Y N -0.953 119.346 120.300 -0.001 0.000 2.389 66 Y HA -0.025 4.550 4.550 0.041 0.000 0.292 66 Y C 2.313 178.213 175.900 -0.000 0.000 1.117 66 Y CA 0.328 58.428 58.100 0.000 0.000 1.195 66 Y CB -0.266 38.195 38.460 0.001 0.000 1.076 66 Y HN -0.003 nan 8.280 nan 0.000 0.548 67 V N -1.492 118.490 119.914 0.113 0.000 2.490 67 V HA -0.228 3.917 4.120 0.042 0.000 0.250 67 V C 1.385 177.496 176.094 0.028 0.000 1.061 67 V CA 2.137 64.473 62.300 0.059 0.000 1.064 67 V CB -0.511 31.332 31.823 0.034 0.000 0.670 67 V HN 0.193 nan 8.190 nan 0.000 0.461 68 D N 0.984 121.386 120.400 0.003 0.000 2.123 68 D HA -0.110 4.555 4.640 0.042 0.000 0.196 68 D C 2.043 178.359 176.300 0.027 0.000 0.992 68 D CA 2.083 56.083 54.000 0.000 0.000 0.833 68 D CB -0.328 40.453 40.800 -0.030 0.000 0.954 68 D HN 0.554 nan 8.370 nan 0.000 0.455 69 I N 0.135 120.733 120.570 0.046 0.000 2.179 69 I HA -0.237 3.958 4.170 0.042 0.000 0.242 69 I C 2.401 178.549 176.117 0.053 0.000 1.088 69 I CA 0.589 61.925 61.300 0.060 0.000 1.357 69 I CB -0.244 37.814 38.000 0.096 0.000 1.051 69 I HN -0.095 nan 8.210 nan 0.000 0.409 70 V N 0.756 120.703 119.914 0.054 0.000 2.287 70 V HA -0.340 3.805 4.120 0.042 0.000 0.248 70 V C 2.518 178.629 176.094 0.030 0.000 1.053 70 V CA 2.362 64.684 62.300 0.036 0.000 1.027 70 V CB -0.647 31.196 31.823 0.034 0.000 0.646 70 V HN 0.495 nan 8.190 nan 0.000 0.447 71 E N -0.399 119.820 120.200 0.033 0.000 2.077 71 E HA -0.251 4.124 4.350 0.042 0.000 0.193 71 E C 2.305 178.940 176.600 0.059 0.000 0.989 71 E CA 1.209 57.633 56.400 0.041 0.000 0.800 71 E CB -0.077 29.647 29.700 0.041 0.000 0.746 71 E HN 0.458 nan 8.360 nan 0.000 0.452 72 E N 0.543 120.775 120.200 0.054 0.000 2.110 72 E HA -0.160 4.216 4.350 0.042 0.000 0.193 72 E C 2.207 178.841 176.600 0.058 0.000 0.988 72 E CA 0.688 57.121 56.400 0.054 0.000 0.804 72 E CB -0.184 29.543 29.700 0.045 0.000 0.745 72 E HN 0.366 nan 8.360 nan 0.000 0.458 73 L N 0.016 121.272 121.223 0.055 0.000 2.046 73 L HA -0.200 4.165 4.340 0.042 0.000 0.208 73 L C 2.518 179.446 176.870 0.097 0.000 1.077 73 L CA 1.278 56.153 54.840 0.059 0.000 0.747 73 L CB -0.495 41.589 42.059 0.041 0.000 0.896 73 L HN 0.071 nan 8.230 nan 0.000 0.432 74 A N 0.095 122.975 122.820 0.101 0.000 1.877 74 A HA -0.208 4.138 4.320 0.042 0.000 0.216 74 A C 2.389 180.140 177.584 0.279 0.000 1.186 74 A CA 1.553 53.710 52.037 0.201 0.000 0.620 74 A CB -0.474 18.583 19.000 0.095 0.000 0.822 74 A HN 0.321 nan 8.150 nan 0.000 0.443 75 R N -0.685 119.903 120.500 0.146 0.000 2.073 75 R HA -0.098 4.267 4.340 0.042 0.000 0.234 75 R C 2.073 178.401 176.300 0.047 0.000 1.134 75 R CA 1.323 57.468 56.100 0.075 0.000 0.952 75 R CB -0.327 29.982 30.300 0.015 0.000 0.850 75 R HN 0.456 nan 8.270 nan 0.000 0.433 76 E N 0.728 120.960 120.200 0.054 0.000 2.072 76 E HA -0.144 4.231 4.350 0.042 0.000 0.191 76 E C 2.041 178.658 176.600 0.027 0.000 0.985 76 E CA 1.162 57.583 56.400 0.034 0.000 0.801 76 E CB -0.099 29.621 29.700 0.035 0.000 0.750 76 E HN 0.302 nan 8.360 nan 0.000 0.452 77 R N 0.458 120.999 120.500 0.067 0.000 2.075 77 R HA -0.015 4.350 4.340 0.042 0.000 0.232 77 R C 2.356 178.617 176.300 -0.066 0.000 1.126 77 R CA 1.182 57.312 56.100 0.051 0.000 0.963 77 R CB -0.324 30.073 30.300 0.162 0.000 0.858 77 R HN 0.107 nan 8.270 nan 0.000 0.435 78 A N 1.560 124.320 122.820 -0.099 0.000 1.877 78 A HA -0.211 4.134 4.320 0.042 0.000 0.216 78 A C 1.920 179.456 177.584 -0.079 0.000 1.186 78 A CA 1.510 53.366 52.037 -0.302 0.000 0.620 78 A CB -0.275 18.540 19.000 -0.308 0.000 0.822 78 A HN 0.189 nan 8.150 nan 0.000 0.443 79 K N -0.749 119.629 120.400 -0.037 0.000 2.057 79 K HA -0.190 4.155 4.320 0.042 0.000 0.207 79 K C 2.387 178.973 176.600 -0.024 0.000 1.049 79 K CA 1.599 57.883 56.287 -0.005 0.000 0.931 79 K CB -0.161 32.338 32.500 -0.001 0.000 0.714 79 K HN 0.676 nan 8.250 nan 0.000 0.440 80 Q N 0.532 120.300 119.800 -0.054 0.000 2.119 80 Q HA -0.162 4.203 4.340 0.042 0.000 0.201 80 Q C 1.970 177.883 176.000 -0.144 0.000 0.972 80 Q CA 0.996 56.756 55.803 -0.072 0.000 0.847 80 Q CB 0.081 28.785 28.738 -0.057 0.000 0.903 80 Q HN 0.155 nan 8.270 nan 0.000 0.433 81 L N -0.595 120.468 121.223 -0.266 0.000 2.109 81 L HA -0.044 4.321 4.340 0.042 0.000 0.207 81 L C 1.087 177.568 176.870 -0.648 0.000 1.086 81 L CA 1.706 56.217 54.840 -0.548 0.000 0.760 81 L CB -0.168 41.363 42.059 -0.880 0.000 0.910 81 L HN 0.242 nan 8.230 nan 0.000 0.437 82 F N -1.088 118.800 119.950 -0.103 0.000 2.706 82 F HA 0.420 4.970 4.527 0.039 0.000 0.313 82 F C 1.685 177.453 175.800 -0.052 0.000 1.096 82 F CA 0.141 58.095 58.000 -0.076 0.000 1.219 82 F CB -0.295 38.638 39.000 -0.112 0.000 1.051 82 F HN 0.060 nan 8.300 nan 0.000 0.568 83 G N 1.373 110.214 108.800 0.068 0.000 2.249 83 G HA2 -0.122 3.863 3.960 0.042 0.000 0.273 83 G HA3 -0.122 3.863 3.960 0.042 0.000 0.273 83 G C 0.315 175.240 174.900 0.042 0.000 1.036 83 G CA 0.142 45.265 45.100 0.038 0.000 0.824 83 G HN 0.659 nan 8.290 nan 0.000 0.504 84 A N -0.902 121.954 122.820 0.060 0.000 2.302 84 A HA 0.767 5.112 4.320 0.042 0.000 0.285 84 A C 1.035 178.644 177.584 0.042 0.000 1.105 84 A CA 0.449 52.513 52.037 0.045 0.000 0.816 84 A CB 0.626 19.653 19.000 0.045 0.000 1.067 84 A HN 0.386 nan 8.150 nan 0.000 0.489 85 E N -0.779 119.453 120.200 0.053 0.000 2.230 85 E HA -0.014 4.361 4.350 0.042 0.000 0.192 85 E C -0.265 176.413 176.600 0.129 0.000 0.987 85 E CA 0.828 57.268 56.400 0.066 0.000 0.841 85 E CB 0.106 29.834 29.700 0.047 0.000 0.783 85 E HN 0.735 nan 8.360 nan 0.000 0.481 86 H N -0.992 118.092 119.070 0.023 0.000 2.894 86 H HA 0.553 5.135 4.556 0.043 0.000 0.367 86 H C -1.717 173.633 175.328 0.037 0.000 1.144 86 H CA -0.572 55.493 56.048 0.028 0.000 1.180 86 H CB 1.604 31.386 29.762 0.033 0.000 1.758 86 H HN -0.004 nan 8.280 nan 0.000 0.541 87 A N 4.012 126.519 122.820 -0.522 0.000 2.374 87 A HA 0.478 4.823 4.320 0.042 0.000 0.317 87 A C -1.045 176.262 177.584 -0.461 0.000 1.094 87 A CA -0.857 50.978 52.037 -0.336 0.000 0.765 87 A CB 1.254 20.172 19.000 -0.136 0.000 1.268 87 A HN 0.724 nan 8.150 nan 0.000 0.438 88 N N 1.788 120.406 118.700 -0.136 0.000 2.483 88 N HA 0.318 5.083 4.740 0.042 0.000 0.267 88 N C -0.013 175.542 175.510 0.075 0.000 0.998 88 N CA -0.165 52.899 53.050 0.024 0.000 0.918 88 N CB 1.912 40.480 38.487 0.133 0.000 1.215 88 N HN 0.682 nan 8.380 nan 0.000 0.500 89 V N 1.261 121.239 119.914 0.107 0.000 3.542 89 V HA 0.218 4.363 4.120 0.042 0.000 0.296 89 V C 1.259 177.398 176.094 0.075 0.000 1.364 89 V CA 0.310 62.681 62.300 0.120 0.000 1.118 89 V CB -0.033 31.884 31.823 0.156 0.000 0.972 89 V HN 0.523 nan 8.190 nan 0.000 0.430 90 Q N 0.668 120.511 119.800 0.071 0.000 2.389 90 Q HA 0.173 4.538 4.340 0.042 0.000 0.204 90 Q C -1.608 174.341 176.000 -0.085 0.000 0.944 90 Q CA -0.510 55.290 55.803 -0.005 0.000 0.908 90 Q CB -0.904 27.818 28.738 -0.027 0.000 1.002 90 Q HN 0.546 nan 8.270 nan 0.000 0.493 91 P HA -0.110 nan 4.420 nan 0.000 0.262 91 P C -0.055 177.212 177.300 -0.055 0.000 1.182 91 P CA 0.587 63.626 63.100 -0.102 0.000 0.761 91 P CB 0.423 32.107 31.700 -0.027 0.000 0.795 92 H N 0.491 119.560 119.070 -0.001 0.000 2.489 92 H HA -0.002 4.579 4.556 0.042 0.000 0.293 92 H C 1.038 176.364 175.328 -0.005 0.000 1.066 92 H CA 1.224 57.262 56.048 -0.015 0.000 1.305 92 H CB 0.045 29.794 29.762 -0.021 0.000 1.386 92 H HN 0.499 nan 8.280 nan 0.000 0.551 93 S N -2.662 113.107 115.700 0.115 0.000 2.636 93 S HA 0.431 4.926 4.470 0.042 0.000 0.268 93 S C 1.304 175.947 174.600 0.072 0.000 1.159 93 S CA -0.381 57.880 58.200 0.101 0.000 0.815 93 S CB 1.233 64.491 63.200 0.096 0.000 1.130 93 S HN 0.103 nan 8.310 nan 0.000 0.471 94 G N 0.625 109.474 108.800 0.081 0.000 2.422 94 G HA2 0.131 4.116 3.960 0.042 0.000 0.218 94 G HA3 0.131 4.116 3.960 0.042 0.000 0.218 94 G C 1.502 176.431 174.900 0.048 0.000 1.146 94 G CA 1.059 46.176 45.100 0.028 0.000 0.769 94 G HN 1.313 nan 8.290 nan 0.000 0.547 95 A N 0.341 123.220 122.820 0.098 0.000 1.883 95 A HA -0.130 4.215 4.320 0.042 0.000 0.217 95 A C 2.376 180.000 177.584 0.067 0.000 1.186 95 A CA 2.230 54.359 52.037 0.152 0.000 0.624 95 A CB -0.443 18.659 19.000 0.171 0.000 0.822 95 A HN 0.343 nan 8.150 nan 0.000 0.444 96 Q N -0.513 119.292 119.800 0.009 0.000 2.167 96 Q HA 0.084 4.449 4.340 0.042 0.000 0.202 96 Q C 2.296 178.258 176.000 -0.063 0.000 0.970 96 Q CA 1.594 57.362 55.803 -0.057 0.000 0.855 96 Q CB -0.665 28.043 28.738 -0.050 0.000 0.911 96 Q HN 0.653 nan 8.270 nan 0.000 0.438 97 A N 0.884 123.681 122.820 -0.038 0.000 1.865 97 A HA -0.259 4.086 4.320 0.042 0.000 0.217 97 A C 1.826 179.343 177.584 -0.112 0.000 1.191 97 A CA 1.845 53.849 52.037 -0.054 0.000 0.623 97 A CB -0.725 18.253 19.000 -0.036 0.000 0.826 97 A HN 0.358 nan 8.150 nan 0.000 0.444 98 N N -0.518 118.108 118.700 -0.123 0.000 2.043 98 N HA -0.198 4.567 4.740 0.042 0.000 0.193 98 N C 1.742 176.980 175.510 -0.453 0.000 1.037 98 N CA 1.819 54.674 53.050 -0.325 0.000 0.851 98 N CB -0.568 37.816 38.487 -0.172 0.000 1.027 98 N HN 0.636 nan 8.380 nan 0.000 0.422 99 M N 0.601 120.173 119.600 -0.046 0.000 2.082 99 M HA -0.211 4.294 4.480 0.042 0.000 0.258 99 M C 1.839 178.184 176.300 0.075 0.000 1.069 99 M CA 1.968 57.332 55.300 0.106 0.000 1.102 99 M CB -0.074 32.366 32.600 -0.266 0.000 1.336 99 M HN 0.208 nan 8.290 nan 0.000 0.404 100 A N -0.677 122.120 122.820 -0.037 0.000 1.933 100 A HA -0.103 4.242 4.320 0.042 0.000 0.218 100 A C 2.012 179.589 177.584 -0.012 0.000 1.175 100 A CA 1.812 53.858 52.037 0.016 0.000 0.628 100 A CB -1.005 17.986 19.000 -0.014 0.000 0.814 100 A HN 0.446 nan 8.150 nan 0.000 0.444 101 V N -1.093 118.711 119.914 -0.185 0.000 2.358 101 V HA -0.237 3.908 4.120 0.042 0.000 0.246 101 V C 2.417 178.361 176.094 -0.249 0.000 1.047 101 V CA 1.719 63.780 62.300 -0.398 0.000 1.035 101 V CB -1.081 30.449 31.823 -0.488 0.000 0.658 101 V HN 0.621 nan 8.190 nan 0.000 0.452 102 Y N -0.720 119.511 120.300 -0.116 0.000 2.128 102 Y HA -0.218 4.358 4.550 0.043 0.000 0.284 102 Y C 2.325 178.213 175.900 -0.020 0.000 1.154 102 Y CA 1.010 59.027 58.100 -0.139 0.000 1.149 102 Y CB -1.318 37.174 38.460 0.052 0.000 0.976 102 Y HN 0.282 nan 8.280 nan 0.000 0.505 103 F N 0.727 120.780 119.950 0.171 0.000 2.202 103 F HA -0.225 4.328 4.527 0.043 0.000 0.301 103 F C 2.183 177.984 175.800 0.002 0.000 1.082 103 F CA 1.918 59.994 58.000 0.126 0.000 1.313 103 F CB -0.469 38.589 39.000 0.096 0.000 1.024 103 F HN -0.032 nan 8.300 nan 0.000 0.495 104 T N -0.636 113.884 114.554 -0.057 0.000 2.770 104 T HA -0.110 4.265 4.350 0.042 0.000 0.263 104 T C 1.957 176.496 174.700 -0.268 0.000 1.039 104 T CA 1.942 63.925 62.100 -0.195 0.000 1.142 104 T CB -0.494 68.204 68.868 -0.283 0.000 0.868 104 T HN 0.250 nan 8.240 nan 0.000 0.435 105 V N -1.634 118.070 119.914 -0.350 0.000 3.661 105 V HA 0.486 4.631 4.120 0.042 0.000 0.271 105 V C 0.313 176.277 176.094 -0.216 0.000 1.315 105 V CA -0.125 61.952 62.300 -0.372 0.000 1.072 105 V CB -0.499 30.888 31.823 -0.726 0.000 0.830 105 V HN 0.234 nan 8.190 nan 0.000 0.443 106 L N 0.849 121.960 121.223 -0.188 0.000 2.342 106 L HA 0.682 5.047 4.340 0.042 0.000 0.271 106 L C -0.205 176.682 176.870 0.029 0.000 1.008 106 L CA -0.508 54.253 54.840 -0.131 0.000 0.818 106 L CB 2.071 43.888 42.059 -0.404 0.000 1.296 106 L HN 0.073 nan 8.230 nan 0.000 0.427 107 E N 0.321 120.569 120.200 0.081 0.000 2.248 107 E HA 0.158 4.534 4.350 0.042 0.000 0.272 107 E C -0.428 176.340 176.600 0.281 0.000 1.008 107 E CA -0.663 55.825 56.400 0.147 0.000 0.856 107 E CB 0.874 30.622 29.700 0.080 0.000 1.120 107 E HN 0.417 nan 8.360 nan 0.000 0.397 108 H N 1.413 120.574 119.070 0.151 0.000 3.192 108 H HA -0.117 4.464 4.556 0.041 0.000 0.295 108 H C 0.833 176.202 175.328 0.067 0.000 0.943 108 H CA 1.857 57.936 56.048 0.052 0.000 1.416 108 H CB 0.095 29.855 29.762 -0.002 0.000 1.434 108 H HN 0.807 nan 8.280 nan 0.000 0.565 109 G N 4.465 112.994 108.800 -0.452 0.000 2.175 109 G HA2 -0.248 3.737 3.960 0.042 0.000 0.244 109 G HA3 -0.248 3.737 3.960 0.042 0.000 0.244 109 G C 0.021 174.871 174.900 -0.082 0.000 0.982 109 G CA 0.207 45.109 45.100 -0.329 0.000 0.641 109 G HN 0.688 nan 8.290 nan 0.000 0.527 110 D N 1.409 121.824 120.400 0.026 0.000 2.423 110 D HA 0.415 5.080 4.640 0.042 0.000 0.238 110 D C 0.884 177.125 176.300 -0.097 0.000 1.142 110 D CA 0.775 54.762 54.000 -0.022 0.000 0.884 110 D CB 0.707 41.482 40.800 -0.041 0.000 1.199 110 D HN 0.117 nan 8.370 nan 0.000 0.438 111 T N 1.326 115.804 114.554 -0.125 0.000 2.851 111 T HA 0.387 4.762 4.350 0.042 0.000 0.298 111 T C 0.047 174.557 174.700 -0.318 0.000 0.977 111 T CA -0.464 61.524 62.100 -0.187 0.000 1.126 111 T CB 0.700 69.510 68.868 -0.096 0.000 0.916 111 T HN -0.003 nan 8.240 nan 0.000 0.529 112 V N 4.144 123.726 119.914 -0.552 0.000 2.789 112 V HA 0.548 4.693 4.120 0.042 0.000 0.311 112 V C -0.727 175.015 176.094 -0.587 0.000 1.073 112 V CA -1.046 60.797 62.300 -0.762 0.000 0.921 112 V CB 2.003 32.886 31.823 -1.566 0.000 1.009 112 V HN 0.667 nan 8.190 nan 0.000 0.426 113 L N 3.622 124.692 121.223 -0.256 0.000 2.305 113 L HA 0.969 5.334 4.340 0.042 0.000 0.284 113 L C 0.189 177.142 176.870 0.139 0.000 1.013 113 L CA 0.470 55.307 54.840 -0.006 0.000 0.819 113 L CB 1.023 43.164 42.059 0.137 0.000 1.227 113 L HN 0.814 nan 8.230 nan 0.000 0.417 114 G N 3.984 112.855 108.800 0.117 0.000 2.730 114 G HA2 0.438 4.423 3.960 0.042 0.000 0.289 114 G HA3 0.438 4.423 3.960 0.042 0.000 0.289 114 G C -1.249 173.265 174.900 -0.643 0.000 1.341 114 G CA -0.960 44.151 45.100 0.019 0.000 0.932 114 G HN 0.651 nan 8.290 nan 0.000 0.481 115 M N 1.672 120.817 119.600 -0.758 0.000 2.228 115 M HA 0.148 4.653 4.480 0.042 0.000 0.351 115 M C 0.584 176.584 176.300 -0.499 0.000 1.233 115 M CA -0.618 54.084 55.300 -0.997 0.000 1.129 115 M CB 0.390 32.772 32.600 -0.363 0.000 1.604 115 M HN 0.591 nan 8.290 nan 0.000 0.457 116 N N 3.873 122.261 118.700 -0.520 0.000 2.301 116 N HA -0.098 4.667 4.740 0.042 0.000 0.267 116 N C 0.490 175.830 175.510 -0.284 0.000 1.304 116 N CA 0.277 53.061 53.050 -0.443 0.000 0.851 116 N CB 0.532 38.533 38.487 -0.811 0.000 1.070 116 N HN 0.713 nan 8.380 nan 0.000 0.483 117 L N 3.203 124.288 121.223 -0.230 0.000 2.131 117 L HA -0.188 4.177 4.340 0.042 0.000 0.210 117 L C 2.265 179.059 176.870 -0.127 0.000 1.092 117 L CA 1.474 56.212 54.840 -0.171 0.000 0.759 117 L CB -0.467 41.478 42.059 -0.191 0.000 0.903 117 L HN 0.710 nan 8.230 nan 0.000 0.435 118 S N -2.889 112.739 115.700 -0.120 0.000 2.593 118 S HA -0.012 4.483 4.470 0.042 0.000 0.217 118 S C 1.384 176.047 174.600 0.105 0.000 0.966 118 S CA 0.053 58.233 58.200 -0.033 0.000 0.914 118 S CB -0.646 62.533 63.200 -0.034 0.000 0.776 118 S HN 0.574 nan 8.310 nan 0.000 0.523 119 H N -0.001 118.971 119.070 -0.164 0.000 2.652 119 H HA 0.376 4.957 4.556 0.042 0.000 0.274 119 H C 1.500 176.793 175.328 -0.058 0.000 1.021 119 H CA 0.010 55.980 56.048 -0.130 0.000 1.187 119 H CB 0.707 30.376 29.762 -0.154 0.000 1.505 119 H HN 0.608 nan 8.280 nan 0.000 0.530 120 G N 0.605 109.433 108.800 0.048 0.000 2.425 120 G HA2 -0.183 3.802 3.960 0.042 0.000 0.177 120 G HA3 -0.183 3.802 3.960 0.042 0.000 0.177 120 G C 0.698 175.615 174.900 0.028 0.000 0.999 120 G CA -0.358 44.767 45.100 0.042 0.000 0.723 120 G HN 0.519 nan 8.290 nan 0.000 0.491 121 G N -0.188 108.608 108.800 -0.006 0.000 2.614 121 G HA2 0.435 4.420 3.960 0.042 0.000 0.239 121 G HA3 0.435 4.420 3.960 0.042 0.000 0.239 121 G C -0.117 174.760 174.900 -0.038 0.000 1.240 121 G CA 0.176 45.300 45.100 0.041 0.000 0.842 121 G HN 0.464 nan 8.290 nan 0.000 0.584 122 H N 1.047 119.911 119.070 -0.344 0.000 2.505 122 H HA 0.133 4.715 4.556 0.042 0.000 0.355 122 H C 1.493 176.560 175.328 -0.434 0.000 1.179 122 H CA -0.852 54.877 56.048 -0.533 0.000 1.343 122 H CB 1.517 30.768 29.762 -0.851 0.000 1.501 122 H HN 0.328 nan 8.280 nan 0.000 0.569 123 L N 2.605 123.193 121.223 -1.058 0.000 2.054 123 L HA -0.276 4.089 4.340 0.042 0.000 0.220 123 L C 2.469 179.023 176.870 -0.526 0.000 1.081 123 L CA 2.624 57.015 54.840 -0.749 0.000 0.780 123 L CB -0.533 41.044 42.059 -0.803 0.000 0.893 123 L HN 0.856 nan 8.230 nan 0.000 0.438 124 T N -5.007 109.289 114.554 -0.430 0.000 3.194 124 T HA -0.050 4.325 4.350 0.042 0.000 0.251 124 T C 0.822 175.555 174.700 0.055 0.000 1.132 124 T CA 0.464 62.526 62.100 -0.062 0.000 1.028 124 T CB -0.865 68.181 68.868 0.297 0.000 0.976 124 T HN 0.587 nan 8.240 nan 0.000 0.535 125 H N 0.527 119.473 119.070 -0.206 0.000 2.577 125 H HA 0.499 5.080 4.556 0.042 0.000 0.306 125 H C 1.422 176.138 175.328 -1.020 0.000 1.109 125 H CA -0.467 55.404 56.048 -0.294 0.000 1.063 125 H CB 0.069 29.813 29.762 -0.031 0.000 1.535 125 H HN 0.505 nan 8.280 nan 0.000 0.532 126 G N 0.915 108.937 108.800 -1.297 0.000 2.159 126 G HA2 -0.292 3.693 3.960 0.042 0.000 0.170 126 G HA3 -0.292 3.693 3.960 0.042 0.000 0.170 126 G C 0.264 174.796 174.900 -0.613 0.000 1.007 126 G CA -0.004 44.177 45.100 -1.532 0.000 0.672 126 G HN 0.414 nan 8.290 nan 0.000 0.507 127 S N 1.319 116.744 115.700 -0.458 0.000 2.563 127 S HA 0.343 4.839 4.470 0.042 0.000 0.294 127 S C 0.049 174.518 174.600 -0.219 0.000 1.279 127 S CA 0.214 58.242 58.200 -0.286 0.000 1.069 127 S CB 1.039 64.086 63.200 -0.254 0.000 0.828 127 S HN 0.216 nan 8.310 nan 0.000 0.497 128 P HA 0.009 nan 4.420 nan 0.000 0.237 128 P C 0.901 178.164 177.300 -0.061 0.000 1.178 128 P CA 0.615 63.662 63.100 -0.089 0.000 0.766 128 P CB -0.280 31.384 31.700 -0.059 0.000 0.876 129 V N -4.467 115.408 119.914 -0.065 0.000 3.483 129 V HA 0.304 4.449 4.120 0.042 0.000 0.301 129 V C 0.616 176.694 176.094 -0.026 0.000 1.389 129 V CA -0.481 61.801 62.300 -0.030 0.000 1.101 129 V CB -0.812 31.005 31.823 -0.009 0.000 0.971 129 V HN -0.000 nan 8.190 nan 0.000 0.434 130 N N 0.603 119.261 118.700 -0.071 0.000 2.443 130 N HA 0.242 5.007 4.740 0.042 0.000 0.293 130 N C 1.009 176.495 175.510 -0.041 0.000 1.159 130 N CA -0.105 52.918 53.050 -0.046 0.000 0.904 130 N CB 2.147 40.538 38.487 -0.159 0.000 1.214 130 N HN 0.206 nan 8.380 nan 0.000 0.513 131 F N 2.270 122.230 119.950 0.016 0.000 2.154 131 F HA -0.202 4.351 4.527 0.042 0.000 0.301 131 F C 2.325 178.168 175.800 0.071 0.000 1.087 131 F CA 1.609 59.634 58.000 0.042 0.000 1.274 131 F CB -1.121 37.924 39.000 0.076 0.000 1.009 131 F HN 0.468 nan 8.300 nan 0.000 0.485 132 S N 0.559 115.577 115.700 -1.136 0.000 2.353 132 S HA -0.116 4.379 4.470 0.042 0.000 0.222 132 S C 2.322 176.788 174.600 -0.224 0.000 1.035 132 S CA 1.169 58.957 58.200 -0.687 0.000 1.025 132 S CB -1.773 60.968 63.200 -0.765 0.000 0.902 132 S HN 0.589 nan 8.310 nan 0.000 0.440 133 G N 0.321 108.936 108.800 -0.309 0.000 2.484 133 G HA2 0.070 4.056 3.960 0.042 0.000 0.218 133 G HA3 0.070 4.056 3.960 0.042 0.000 0.218 133 G C 1.330 176.201 174.900 -0.048 0.000 1.130 133 G CA 0.709 45.725 45.100 -0.139 0.000 0.784 133 G HN 0.488 nan 8.290 nan 0.000 0.543 134 V N -0.087 119.787 119.914 -0.066 0.000 2.599 134 V HA -0.047 4.098 4.120 0.042 0.000 0.245 134 V C 2.530 178.593 176.094 -0.051 0.000 1.046 134 V CA 1.884 64.168 62.300 -0.027 0.000 1.065 134 V CB 0.452 32.282 31.823 0.012 0.000 0.703 134 V HN 0.426 nan 8.190 nan 0.000 0.464 135 Q N -0.766 118.945 119.800 -0.148 0.000 2.250 135 Q HA 0.057 4.422 4.340 0.042 0.000 0.200 135 Q C -0.085 175.498 176.000 -0.694 0.000 0.941 135 Q CA 1.036 56.613 55.803 -0.376 0.000 0.872 135 Q CB 0.214 28.622 28.738 -0.550 0.000 0.965 135 Q HN 0.629 nan 8.270 nan 0.000 0.480 136 Y N -0.834 119.457 120.300 -0.015 0.000 2.602 136 Y HA 0.404 4.979 4.550 0.041 0.000 0.342 136 Y C -0.574 175.293 175.900 -0.054 0.000 1.029 136 Y CA -1.909 56.134 58.100 -0.095 0.000 1.080 136 Y CB 0.836 39.204 38.460 -0.154 0.000 1.284 136 Y HN -0.158 nan 8.280 nan 0.000 0.485 137 N N 1.258 119.969 118.700 0.018 0.000 2.719 137 N HA 0.224 4.989 4.740 0.042 0.000 0.243 137 N C -1.752 173.697 175.510 -0.102 0.000 1.104 137 N CA -0.078 52.953 53.050 -0.033 0.000 0.981 137 N CB -0.324 38.120 38.487 -0.070 0.000 1.290 137 N HN 0.402 nan 8.380 nan 0.000 0.513 138 F N 2.441 122.323 119.950 -0.114 0.000 2.427 138 F HA 0.246 4.798 4.527 0.042 0.000 0.352 138 F C 0.739 176.434 175.800 -0.175 0.000 1.100 138 F CA -0.431 57.483 58.000 -0.143 0.000 1.191 138 F CB 0.803 39.718 39.000 -0.142 0.000 1.128 138 F HN 0.122 nan 8.300 nan 0.000 0.533 139 V N 0.810 120.668 119.914 -0.092 0.000 3.019 139 V HA 0.989 5.134 4.120 0.042 0.000 0.317 139 V C -0.579 175.467 176.094 -0.079 0.000 1.094 139 V CA -1.121 61.066 62.300 -0.188 0.000 1.000 139 V CB 1.405 32.910 31.823 -0.530 0.000 1.060 139 V HN 0.886 nan 8.190 nan 0.000 0.443 140 A N 2.083 124.842 122.820 -0.101 0.000 2.401 140 A HA 0.925 5.270 4.320 0.042 0.000 0.310 140 A C -1.027 176.510 177.584 -0.077 0.000 1.075 140 A CA -0.721 51.225 52.037 -0.152 0.000 0.746 140 A CB 1.503 20.372 19.000 -0.218 0.000 1.277 140 A HN 1.572 nan 8.150 nan 0.000 0.425 141 Y N -0.073 120.213 120.300 -0.025 0.000 2.496 141 Y HA 0.831 5.405 4.550 0.042 0.000 0.331 141 Y C 0.439 176.294 175.900 -0.074 0.000 1.140 141 Y CA -1.024 57.060 58.100 -0.026 0.000 1.166 141 Y CB 0.954 39.414 38.460 0.000 0.000 1.249 141 Y HN 0.782 nan 8.280 nan 0.000 0.479 142 G N 0.469 109.379 108.800 0.183 0.000 2.568 142 G HA2 0.573 4.559 3.960 0.042 0.000 0.313 142 G HA3 0.573 4.559 3.960 0.042 0.000 0.313 142 G C -0.932 174.158 174.900 0.317 0.000 1.227 142 G CA -0.732 44.485 45.100 0.194 0.000 0.979 142 G HN 1.091 nan 8.290 nan 0.000 0.486 143 V N -1.404 118.785 119.914 0.459 0.000 2.863 143 V HA 0.473 4.619 4.120 0.042 0.000 0.307 143 V C 0.305 176.601 176.094 0.335 0.000 1.061 143 V CA -1.117 61.356 62.300 0.288 0.000 1.024 143 V CB 1.708 33.683 31.823 0.254 0.000 1.049 143 V HN 0.691 nan 8.190 nan 0.000 0.471 144 D N 3.178 123.715 120.400 0.228 0.000 2.455 144 D HA 0.134 4.799 4.640 0.042 0.000 0.241 144 D C -1.709 174.691 176.300 0.166 0.000 1.138 144 D CA -1.091 53.004 54.000 0.159 0.000 0.877 144 D CB 1.966 42.809 40.800 0.072 0.000 1.187 144 D HN 0.459 nan 8.370 nan 0.000 0.451 145 P HA -0.067 nan 4.420 nan 0.000 0.222 145 P C 0.641 177.874 177.300 -0.112 0.000 1.147 145 P CA 1.007 63.989 63.100 -0.197 0.000 0.790 145 P CB 0.469 31.856 31.700 -0.521 0.000 0.780 146 E N -1.124 118.962 120.200 -0.189 0.000 2.152 146 E HA -0.047 4.328 4.350 0.042 0.000 0.195 146 E C 1.929 178.220 176.600 -0.515 0.000 0.934 146 E CA 1.212 57.444 56.400 -0.281 0.000 0.869 146 E CB -0.483 29.126 29.700 -0.152 0.000 0.842 146 E HN 0.150 nan 8.360 nan 0.000 0.472 147 T N -2.640 111.726 114.554 -0.314 0.000 3.043 147 T HA -0.054 4.321 4.350 0.042 0.000 0.263 147 T C 0.231 174.820 174.700 -0.184 0.000 1.094 147 T CA 1.063 63.030 62.100 -0.222 0.000 1.127 147 T CB -0.439 68.399 68.868 -0.050 0.000 0.905 147 T HN 0.427 nan 8.240 nan 0.000 0.490 148 H N -0.905 118.225 119.070 0.099 0.000 3.047 148 H HA -0.103 4.478 4.556 0.042 0.000 0.263 148 H C -0.414 175.054 175.328 0.234 0.000 1.168 148 H CA 0.111 56.240 56.048 0.135 0.000 1.152 148 H CB -2.406 27.411 29.762 0.092 0.000 1.278 148 H HN 0.344 nan 8.280 nan 0.000 0.339 149 V N 1.408 121.490 119.914 0.281 0.000 2.567 149 V HA 0.150 4.295 4.120 0.042 0.000 0.289 149 V C 1.318 177.566 176.094 0.257 0.000 1.049 149 V CA -0.526 61.988 62.300 0.356 0.000 0.969 149 V CB 1.448 33.415 31.823 0.240 0.000 0.995 149 V HN 0.200 nan 8.190 nan 0.000 0.471 150 I N 3.510 124.188 120.570 0.181 0.000 2.906 150 I HA -0.077 4.118 4.170 0.042 0.000 0.302 150 I C 0.646 176.610 176.117 -0.255 0.000 1.220 150 I CA 0.637 61.826 61.300 -0.184 0.000 1.441 150 I CB 0.079 37.745 38.000 -0.557 0.000 1.336 150 I HN 0.640 nan 8.210 nan 0.000 0.565 151 D N 6.947 127.247 120.400 -0.167 0.000 2.441 151 D HA 0.058 4.723 4.640 0.042 0.000 0.221 151 D C 0.581 176.731 176.300 -0.250 0.000 1.156 151 D CA -0.106 53.836 54.000 -0.096 0.000 0.896 151 D CB 0.429 41.247 40.800 0.029 0.000 1.028 151 D HN 0.330 nan 8.370 nan 0.000 0.509 152 Y N 1.563 121.782 120.300 -0.135 0.000 2.333 152 Y HA -0.128 4.447 4.550 0.041 0.000 0.290 152 Y C 1.959 177.743 175.900 -0.193 0.000 1.144 152 Y CA 0.759 58.704 58.100 -0.259 0.000 1.228 152 Y CB 0.192 38.490 38.460 -0.270 0.000 0.985 152 Y HN 0.389 nan 8.280 nan 0.000 0.542 153 D N -0.229 120.176 120.400 0.009 0.000 2.183 153 D HA -0.166 4.499 4.640 0.042 0.000 0.203 153 D C 1.599 177.888 176.300 -0.017 0.000 0.969 153 D CA 1.438 55.435 54.000 -0.006 0.000 0.842 153 D CB -0.278 40.529 40.800 0.011 0.000 0.957 153 D HN 0.401 nan 8.370 nan 0.000 0.484 154 D N 0.464 120.854 120.400 -0.016 0.000 2.117 154 D HA -0.119 4.546 4.640 0.042 0.000 0.198 154 D C 2.129 178.430 176.300 0.002 0.000 0.982 154 D CA 0.572 54.583 54.000 0.019 0.000 0.828 154 D CB 0.144 40.983 40.800 0.066 0.000 0.967 154 D HN -0.099 nan 8.370 nan 0.000 0.464 155 V N 0.632 120.468 119.914 -0.130 0.000 2.252 155 V HA -0.278 3.867 4.120 0.042 0.000 0.249 155 V C 2.643 178.673 176.094 -0.107 0.000 1.056 155 V CA 2.238 64.393 62.300 -0.243 0.000 1.022 155 V CB -0.681 30.724 31.823 -0.697 0.000 0.641 155 V HN 0.245 nan 8.190 nan 0.000 0.445 156 R N -0.069 120.370 120.500 -0.102 0.000 2.081 156 R HA -0.221 4.144 4.340 0.042 0.000 0.235 156 R C 2.422 178.716 176.300 -0.010 0.000 1.131 156 R CA 2.085 58.156 56.100 -0.049 0.000 0.960 156 R CB -0.286 29.986 30.300 -0.047 0.000 0.856 156 R HN 0.700 nan 8.270 nan 0.000 0.436 157 E N 0.159 120.359 120.200 0.000 0.000 2.072 157 E HA -0.183 4.192 4.350 0.042 0.000 0.191 157 E C 1.557 178.175 176.600 0.030 0.000 0.985 157 E CA 0.998 57.403 56.400 0.009 0.000 0.801 157 E CB 0.198 29.906 29.700 0.013 0.000 0.750 157 E HN 0.144 nan 8.360 nan 0.000 0.452 158 K N 0.300 120.752 120.400 0.086 0.000 2.097 158 K HA -0.123 4.223 4.320 0.042 0.000 0.206 158 K C 2.033 178.743 176.600 0.184 0.000 1.049 158 K CA 1.119 57.524 56.287 0.197 0.000 0.933 158 K CB -0.422 32.224 32.500 0.244 0.000 0.717 158 K HN 0.198 nan 8.250 nan 0.000 0.442 159 A N 1.422 124.306 122.820 0.107 0.000 1.898 159 A HA -0.141 4.204 4.320 0.042 0.000 0.216 159 A C 2.221 179.832 177.584 0.045 0.000 1.181 159 A CA 1.242 53.329 52.037 0.083 0.000 0.620 159 A CB -0.305 18.728 19.000 0.055 0.000 0.819 159 A HN 0.244 nan 8.150 nan 0.000 0.442 160 R N -1.300 119.209 120.500 0.015 0.000 2.090 160 R HA 0.011 4.376 4.340 0.042 0.000 0.228 160 R C 2.083 178.357 176.300 -0.043 0.000 1.110 160 R CA 1.139 57.232 56.100 -0.011 0.000 0.973 160 R CB -0.396 29.894 30.300 -0.016 0.000 0.869 160 R HN 0.487 nan 8.270 nan 0.000 0.440 161 L N 0.165 121.336 121.223 -0.088 0.000 2.023 161 L HA -0.119 4.246 4.340 0.042 0.000 0.205 161 L C 1.766 178.480 176.870 -0.261 0.000 1.073 161 L CA 1.916 56.624 54.840 -0.221 0.000 0.745 161 L CB -0.355 41.485 42.059 -0.364 0.000 0.900 161 L HN 0.195 nan 8.230 nan 0.000 0.435 162 H N 0.121 119.191 119.070 0.000 0.000 2.563 162 H HA 0.233 4.815 4.556 0.042 0.000 0.264 162 H C -0.002 175.316 175.328 -0.017 0.000 0.957 162 H CA 0.088 56.131 56.048 -0.008 0.000 1.173 162 H CB 0.230 29.986 29.762 -0.010 0.000 1.420 162 H HN 0.175 nan 8.280 nan 0.000 0.551 163 R N 0.611 121.156 120.500 0.074 0.000 3.127 163 R HA -0.106 4.259 4.340 0.042 0.000 0.247 163 R C -2.605 173.711 176.300 0.026 0.000 0.896 163 R CA 0.006 56.127 56.100 0.035 0.000 0.624 163 R CB -2.346 27.962 30.300 0.014 0.000 1.154 163 R HN 0.446 nan 8.270 nan 0.000 0.474 164 P HA 0.085 nan 4.420 nan 0.000 0.275 164 P C 0.602 177.890 177.300 -0.021 0.000 1.228 164 P CA -0.295 62.790 63.100 -0.025 0.000 0.786 164 P CB 0.906 32.585 31.700 -0.034 0.000 0.927 165 K N 0.886 121.259 120.400 -0.045 0.000 2.228 165 K HA -0.003 4.342 4.320 0.042 0.000 0.202 165 K C 0.283 176.919 176.600 0.059 0.000 1.051 165 K CA 0.574 56.863 56.287 0.002 0.000 0.960 165 K CB -0.007 32.486 32.500 -0.011 0.000 0.743 165 K HN 0.340 nan 8.250 nan 0.000 0.458 166 L N 0.932 122.144 121.223 -0.019 0.000 2.464 166 L HA 0.441 4.806 4.340 0.042 0.000 0.266 166 L C -1.520 175.352 176.870 0.004 0.000 0.965 166 L CA -0.555 54.302 54.840 0.029 0.000 0.833 166 L CB 1.846 43.870 42.059 -0.060 0.000 1.296 166 L HN -0.091 nan 8.230 nan 0.000 0.405 167 I N 5.106 125.741 120.570 0.109 0.000 2.359 167 I HA 0.506 4.701 4.170 0.042 0.000 0.294 167 I C -0.665 175.540 176.117 0.147 0.000 0.987 167 I CA -0.902 60.491 61.300 0.155 0.000 1.225 167 I CB 1.894 40.039 38.000 0.241 0.000 1.366 167 I HN 0.289 nan 8.210 nan 0.000 0.466 168 V N 5.656 125.653 119.914 0.139 0.000 2.435 168 V HA 0.744 4.889 4.120 0.042 0.000 0.290 168 V C 0.144 176.212 176.094 -0.042 0.000 1.030 168 V CA -0.416 61.904 62.300 0.033 0.000 0.881 168 V CB 1.490 33.311 31.823 -0.003 0.000 0.983 168 V HN 0.846 nan 8.190 nan 0.000 0.445 169 A N 3.961 126.637 122.820 -0.240 0.000 2.380 169 A HA 1.068 5.413 4.320 0.042 0.000 0.315 169 A C -0.101 177.392 177.584 -0.152 0.000 1.101 169 A CA -0.006 51.774 52.037 -0.427 0.000 0.771 169 A CB 1.709 20.000 19.000 -1.181 0.000 1.287 169 A HN 2.489 nan 8.150 nan 0.000 0.436 170 A N -0.855 121.958 122.820 -0.012 0.000 2.435 170 A HA 0.579 4.924 4.320 0.042 0.000 0.686 170 A C -0.333 177.381 177.584 0.216 0.000 0.140 170 A CA -0.041 52.080 52.037 0.141 0.000 0.030 170 A CB -1.459 17.619 19.000 0.131 0.000 3.972 170 A HN 2.986 nan 8.150 nan 0.000 0.548 171 A N -0.749 122.213 122.820 0.237 0.000 2.612 171 A HA 0.944 5.289 4.320 0.042 0.000 0.293 171 A C 0.625 178.263 177.584 0.090 0.000 1.075 171 A CA 0.745 52.897 52.037 0.191 0.000 0.680 171 A CB 0.518 19.626 19.000 0.181 0.000 1.279 171 A HN 2.479 nan 8.150 nan 0.000 0.411 172 S N -0.572 115.127 115.700 -0.001 0.000 2.517 172 S HA 0.482 4.977 4.470 0.042 0.000 0.214 172 S C 0.743 175.114 174.600 -0.382 0.000 0.991 172 S CA 0.830 58.901 58.200 -0.215 0.000 0.906 172 S CB 0.489 63.706 63.200 0.029 0.000 0.789 172 S HN 2.188 nan 8.310 nan 0.000 0.513 173 A N 0.371 123.107 122.820 -0.141 0.000 3.165 173 A HA 0.499 4.844 4.320 0.042 0.000 0.212 173 A C -0.920 176.691 177.584 0.045 0.000 0.935 173 A CA -0.432 51.543 52.037 -0.103 0.000 1.100 173 A CB -0.074 18.881 19.000 -0.075 0.000 1.260 173 A HN 0.419 nan 8.150 nan 0.000 0.532 174 Y N 1.960 122.218 120.300 -0.069 0.000 2.356 174 Y HA 0.549 5.123 4.550 0.041 0.000 0.334 174 Y C -2.204 173.700 175.900 0.006 0.000 0.958 174 Y CA -2.361 55.742 58.100 0.005 0.000 1.196 174 Y CB 2.094 40.598 38.460 0.073 0.000 1.137 174 Y HN 0.255 nan 8.280 nan 0.000 0.485 175 P HA 0.129 nan 4.420 nan 0.000 0.257 175 P C -0.236 176.856 177.300 -0.347 0.000 1.281 175 P CA 0.476 63.408 63.100 -0.281 0.000 0.826 175 P CB 0.507 32.093 31.700 -0.191 0.000 1.237 176 R N -0.110 119.967 120.500 -0.705 0.000 2.873 176 R HA 0.500 4.865 4.340 0.042 0.000 0.264 176 R C 0.448 176.653 176.300 -0.158 0.000 1.026 176 R CA -1.527 54.314 56.100 -0.431 0.000 1.002 176 R CB 0.584 30.631 30.300 -0.422 0.000 1.174 176 R HN 0.012 nan 8.270 nan 0.000 0.488 177 I N 2.103 122.667 120.570 -0.010 0.000 2.648 177 I HA 0.041 4.236 4.170 0.042 0.000 0.284 177 I C 0.559 176.784 176.117 0.180 0.000 1.153 177 I CA 0.331 61.648 61.300 0.029 0.000 1.426 177 I CB 0.334 38.192 38.000 -0.236 0.000 1.381 177 I HN 0.236 nan 8.210 nan 0.000 0.571 178 I N 5.468 126.161 120.570 0.204 0.000 2.365 178 I HA 0.082 4.277 4.170 0.042 0.000 0.291 178 I C 0.289 176.185 176.117 -0.368 0.000 1.004 178 I CA -0.229 61.114 61.300 0.071 0.000 1.311 178 I CB 0.844 38.837 38.000 -0.011 0.000 1.401 178 I HN 0.493 nan 8.210 nan 0.000 0.491 179 D N 6.523 126.891 120.400 -0.054 0.000 2.483 179 D HA 0.133 4.799 4.640 0.042 0.000 0.220 179 D C 0.806 177.062 176.300 -0.074 0.000 1.173 179 D CA -0.015 53.836 54.000 -0.250 0.000 0.964 179 D CB 0.281 40.773 40.800 -0.513 0.000 1.046 179 D HN 0.353 nan 8.370 nan 0.000 0.517 180 F N 1.543 121.511 119.950 0.032 0.000 2.293 180 F HA -0.116 4.436 4.527 0.042 0.000 0.300 180 F C 2.492 178.090 175.800 -0.336 0.000 1.086 180 F CA 0.498 58.486 58.000 -0.020 0.000 1.375 180 F CB -0.016 38.975 39.000 -0.014 0.000 1.045 180 F HN 0.411 nan 8.300 nan 0.000 0.516 181 A N 0.550 123.007 122.820 -0.605 0.000 1.902 181 A HA -0.189 4.156 4.320 0.042 0.000 0.217 181 A C 2.188 179.650 177.584 -0.203 0.000 1.181 181 A CA 1.528 53.178 52.037 -0.644 0.000 0.623 181 A CB -0.511 18.159 19.000 -0.550 0.000 0.818 181 A HN 0.291 nan 8.150 nan 0.000 0.443 182 K N -1.513 118.753 120.400 -0.223 0.000 2.057 182 K HA -0.057 4.288 4.320 0.042 0.000 0.206 182 K C 1.660 178.200 176.600 -0.101 0.000 1.050 182 K CA 1.361 57.513 56.287 -0.224 0.000 0.935 182 K CB -0.332 31.858 32.500 -0.518 0.000 0.715 182 K HN 0.451 nan 8.250 nan 0.000 0.439 183 F N 1.247 121.216 119.950 0.033 0.000 2.095 183 F HA -0.227 4.326 4.527 0.043 0.000 0.298 183 F C 2.626 178.471 175.800 0.075 0.000 1.104 183 F CA 1.424 59.475 58.000 0.085 0.000 1.232 183 F CB -0.234 38.861 39.000 0.159 0.000 0.987 183 F HN -0.057 nan 8.300 nan 0.000 0.475 184 R N 0.859 121.513 120.500 0.256 0.000 2.075 184 R HA -0.163 4.202 4.340 0.042 0.000 0.232 184 R C 2.067 178.443 176.300 0.127 0.000 1.126 184 R CA 1.790 58.008 56.100 0.197 0.000 0.963 184 R CB -0.773 29.666 30.300 0.232 0.000 0.858 184 R HN 0.424 nan 8.270 nan 0.000 0.435 185 E N -0.142 120.103 120.200 0.075 0.000 2.058 185 E HA -0.197 4.178 4.350 0.042 0.000 0.194 185 E C 1.873 178.489 176.600 0.027 0.000 0.997 185 E CA 1.774 58.195 56.400 0.036 0.000 0.801 185 E CB -0.150 29.546 29.700 -0.006 0.000 0.746 185 E HN 0.438 nan 8.360 nan 0.000 0.450 186 I N 0.893 121.472 120.570 0.015 0.000 2.226 186 I HA -0.253 3.942 4.170 0.042 0.000 0.245 186 I C 2.635 178.782 176.117 0.050 0.000 1.100 186 I CA 0.970 62.275 61.300 0.009 0.000 1.374 186 I CB -0.388 37.587 38.000 -0.042 0.000 1.057 186 I HN 0.169 nan 8.210 nan 0.000 0.413 187 A N 0.674 123.554 122.820 0.101 0.000 1.892 187 A HA -0.275 4.070 4.320 0.042 0.000 0.218 187 A C 1.962 179.594 177.584 0.080 0.000 1.188 187 A CA 2.333 54.442 52.037 0.120 0.000 0.631 187 A CB -0.678 18.440 19.000 0.196 0.000 0.822 187 A HN 0.357 nan 8.150 nan 0.000 0.447 188 D N -0.930 119.518 120.400 0.079 0.000 2.144 188 D HA -0.126 4.539 4.640 0.042 0.000 0.200 188 D C 1.885 178.200 176.300 0.026 0.000 0.978 188 D CA 1.348 55.380 54.000 0.054 0.000 0.833 188 D CB -0.337 40.497 40.800 0.056 0.000 0.961 188 D HN 0.742 nan 8.370 nan 0.000 0.470 189 E N 0.355 120.569 120.200 0.023 0.000 2.110 189 E HA -0.144 4.231 4.350 0.042 0.000 0.193 189 E C 1.732 178.335 176.600 0.005 0.000 0.988 189 E CA 1.196 57.602 56.400 0.010 0.000 0.804 189 E CB 0.293 29.996 29.700 0.004 0.000 0.745 189 E HN 0.227 nan 8.360 nan 0.000 0.458 190 V N -3.437 116.482 119.914 0.009 0.000 3.621 190 V HA 0.432 4.577 4.120 0.042 0.000 0.285 190 V C 1.016 177.104 176.094 -0.010 0.000 1.346 190 V CA 0.365 62.666 62.300 0.003 0.000 1.104 190 V CB 0.086 31.917 31.823 0.013 0.000 0.913 190 V HN 0.276 nan 8.190 nan 0.000 0.432 191 G N 0.395 109.184 108.800 -0.019 0.000 2.246 191 G HA2 0.008 3.993 3.960 0.042 0.000 0.273 191 G HA3 0.008 3.993 3.960 0.042 0.000 0.273 191 G C 0.188 175.025 174.900 -0.106 0.000 1.055 191 G CA 0.393 45.458 45.100 -0.059 0.000 0.851 191 G HN 1.660 nan 8.290 nan 0.000 0.500 192 A N -0.654 122.128 122.820 -0.062 0.000 2.306 192 A HA 0.836 5.181 4.320 0.042 0.000 0.330 192 A C 0.047 177.581 177.584 -0.084 0.000 1.146 192 A CA -0.803 51.203 52.037 -0.051 0.000 0.827 192 A CB 0.881 19.905 19.000 0.040 0.000 1.178 192 A HN 0.545 nan 8.150 nan 0.000 0.490 193 Y N 0.011 120.290 120.300 -0.036 0.000 2.357 193 Y HA 0.354 4.929 4.550 0.042 0.000 0.340 193 Y C 0.306 176.318 175.900 0.185 0.000 1.260 193 Y CA 0.407 58.459 58.100 -0.079 0.000 1.425 193 Y CB 0.665 39.080 38.460 -0.075 0.000 1.326 193 Y HN 0.557 nan 8.280 nan 0.000 0.580 194 L N 4.474 126.061 121.223 0.606 0.000 2.333 194 L HA 0.523 4.888 4.340 0.042 0.000 0.280 194 L C -0.935 176.130 176.870 0.324 0.000 1.004 194 L CA -0.851 54.215 54.840 0.376 0.000 0.820 194 L CB 1.242 43.474 42.059 0.288 0.000 1.247 194 L HN 0.726 nan 8.230 nan 0.000 0.416 195 M N 5.597 125.331 119.600 0.223 0.000 2.294 195 M HA 0.624 5.129 4.480 0.042 0.000 0.335 195 M C -1.707 174.598 176.300 0.008 0.000 1.079 195 M CA -0.649 54.748 55.300 0.163 0.000 0.982 195 M CB 1.634 34.328 32.600 0.157 0.000 1.651 195 M HN 0.431 nan 8.290 nan 0.000 0.437 196 V N 4.182 124.059 119.914 -0.061 0.000 2.409 196 V HA 0.267 4.412 4.120 0.042 0.000 0.291 196 V C -0.698 175.321 176.094 -0.125 0.000 1.020 196 V CA -0.639 61.564 62.300 -0.162 0.000 0.848 196 V CB 1.565 33.154 31.823 -0.390 0.000 0.990 196 V HN 0.766 nan 8.190 nan 0.000 0.430 197 D N 5.774 126.125 120.400 -0.082 0.000 2.441 197 D HA 0.236 4.901 4.640 0.042 0.000 0.221 197 D C 0.767 177.065 176.300 -0.003 0.000 1.156 197 D CA -0.439 53.550 54.000 -0.018 0.000 0.896 197 D CB 1.148 42.017 40.800 0.114 0.000 1.028 197 D HN 0.611 nan 8.370 nan 0.000 0.509 198 M N 1.917 121.470 119.600 -0.078 0.000 2.493 198 M HA 0.372 4.877 4.480 0.042 0.000 0.244 198 M C 1.357 177.618 176.300 -0.065 0.000 1.182 198 M CA -0.396 54.861 55.300 -0.071 0.000 0.981 198 M CB 0.693 33.195 32.600 -0.164 0.000 1.551 198 M HN 0.144 nan 8.290 nan 0.000 0.476 199 A N 1.279 124.062 122.820 -0.061 0.000 1.896 199 A HA -0.249 4.096 4.320 0.042 0.000 0.220 199 A C 2.094 179.588 177.584 -0.149 0.000 1.206 199 A CA 2.205 54.164 52.037 -0.131 0.000 0.647 199 A CB -1.404 17.497 19.000 -0.166 0.000 0.828 199 A HN 0.765 nan 8.150 nan 0.000 0.455 200 H N -0.529 118.495 119.070 -0.076 0.000 2.389 200 H HA -0.029 4.553 4.556 0.044 0.000 0.299 200 H C 1.876 177.070 175.328 -0.224 0.000 1.081 200 H CA 1.764 57.777 56.048 -0.059 0.000 1.345 200 H CB -0.027 29.827 29.762 0.153 0.000 1.393 200 H HN 0.732 nan 8.280 nan 0.000 0.520 201 I N -2.568 117.987 120.570 -0.024 0.000 3.928 201 I HA 0.345 4.540 4.170 0.042 0.000 0.335 201 I C 2.149 178.250 176.117 -0.026 0.000 1.325 201 I CA 0.171 61.421 61.300 -0.084 0.000 1.107 201 I CB 0.205 38.127 38.000 -0.130 0.000 1.014 201 I HN -0.091 nan 8.210 nan 0.000 0.400 202 A N 2.134 124.945 122.820 -0.016 0.000 1.933 202 A HA -0.015 4.330 4.320 0.042 0.000 0.218 202 A C 2.344 180.107 177.584 0.297 0.000 1.175 202 A CA 1.854 53.942 52.037 0.084 0.000 0.628 202 A CB -1.345 17.641 19.000 -0.022 0.000 0.814 202 A HN 0.530 nan 8.150 nan 0.000 0.444 203 G N -0.108 108.838 108.800 0.245 0.000 2.422 203 G HA2 -0.145 3.840 3.960 0.042 0.000 0.218 203 G HA3 -0.145 3.840 3.960 0.042 0.000 0.218 203 G C 1.524 176.625 174.900 0.334 0.000 1.146 203 G CA 1.052 46.406 45.100 0.425 0.000 0.769 203 G HN 0.455 nan 8.290 nan 0.000 0.547 204 L N 0.230 121.556 121.223 0.172 0.000 2.056 204 L HA -0.049 4.316 4.340 0.042 0.000 0.207 204 L C 2.957 179.963 176.870 0.226 0.000 1.078 204 L CA 0.337 55.265 54.840 0.148 0.000 0.749 204 L CB -0.825 41.309 42.059 0.126 0.000 0.901 204 L HN 0.052 nan 8.230 nan 0.000 0.433 205 V N 0.839 120.918 119.914 0.275 0.000 2.252 205 V HA -0.364 3.781 4.120 0.042 0.000 0.249 205 V C 2.880 179.147 176.094 0.289 0.000 1.056 205 V CA 2.117 64.620 62.300 0.338 0.000 1.022 205 V CB -1.040 31.008 31.823 0.374 0.000 0.641 205 V HN 0.515 nan 8.190 nan 0.000 0.445 206 A N -0.367 122.617 122.820 0.272 0.000 1.978 206 A HA -0.064 4.281 4.320 0.042 0.000 0.220 206 A C 2.149 179.776 177.584 0.072 0.000 1.170 206 A CA 2.031 54.034 52.037 -0.056 0.000 0.636 206 A CB -0.549 18.328 19.000 -0.206 0.000 0.810 206 A HN 0.673 nan 8.150 nan 0.000 0.448 207 A N -2.030 120.901 122.820 0.186 0.000 2.275 207 A HA 0.447 4.792 4.320 0.042 0.000 0.212 207 A C 1.640 179.284 177.584 0.100 0.000 1.201 207 A CA 1.033 53.161 52.037 0.152 0.000 0.843 207 A CB -0.818 18.251 19.000 0.116 0.000 0.873 207 A HN 1.874 nan 8.150 nan 0.000 0.492 208 G N -0.877 107.992 108.800 0.115 0.000 2.147 208 G HA2 -0.241 3.744 3.960 0.042 0.000 0.244 208 G HA3 -0.241 3.744 3.960 0.042 0.000 0.244 208 G C 0.538 175.500 174.900 0.102 0.000 1.005 208 G CA 0.562 45.725 45.100 0.105 0.000 0.713 208 G HN 0.536 nan 8.290 nan 0.000 0.515 209 L N -0.533 120.764 121.223 0.123 0.000 2.664 209 L HA 0.380 4.745 4.340 0.042 0.000 0.233 209 L C 0.923 177.888 176.870 0.157 0.000 1.113 209 L CA -0.200 54.702 54.840 0.103 0.000 0.896 209 L CB 0.300 42.401 42.059 0.069 0.000 1.163 209 L HN 0.393 nan 8.230 nan 0.000 0.497 210 H N 0.565 119.708 119.070 0.121 0.000 2.717 210 H HA 0.373 4.954 4.556 0.043 0.000 0.366 210 H C -2.671 172.775 175.328 0.197 0.000 1.132 210 H CA -1.964 54.175 56.048 0.150 0.000 1.180 210 H CB 2.696 32.569 29.762 0.185 0.000 1.678 210 H HN -0.253 nan 8.280 nan 0.000 0.537 211 P HA -0.068 nan 4.420 nan 0.000 0.265 211 P C -0.265 177.412 177.300 0.628 0.000 1.187 211 P CA 0.231 63.516 63.100 0.308 0.000 0.766 211 P CB 0.482 32.266 31.700 0.141 0.000 0.820 212 N N 4.061 123.038 118.700 0.462 0.000 2.422 212 N HA 0.124 4.890 4.740 0.042 0.000 0.264 212 N C -1.563 174.144 175.510 0.330 0.000 1.063 212 N CA -2.356 50.911 53.050 0.362 0.000 0.959 212 N CB 0.527 39.163 38.487 0.248 0.000 1.087 212 N HN 0.204 nan 8.380 nan 0.000 0.483 213 P HA -0.062 nan 4.420 nan 0.000 0.229 213 P C 1.326 178.561 177.300 -0.108 0.000 1.160 213 P CA 0.373 63.236 63.100 -0.395 0.000 0.777 213 P CB 0.533 31.579 31.700 -1.090 0.000 0.814 214 V N 2.660 122.534 119.914 -0.067 0.000 2.282 214 V HA -0.162 3.983 4.120 0.042 0.000 0.249 214 V C -0.100 175.939 176.094 -0.091 0.000 1.057 214 V CA 2.771 65.031 62.300 -0.067 0.000 1.032 214 V CB -2.560 29.254 31.823 -0.015 0.000 0.645 214 V HN 0.237 nan 8.190 nan 0.000 0.447 215 P HA -0.100 nan 4.420 nan 0.000 0.230 215 P C 0.847 177.891 177.300 -0.427 0.000 1.158 215 P CA 1.463 64.377 63.100 -0.309 0.000 0.769 215 P CB -0.055 31.392 31.700 -0.421 0.000 0.807 216 Y N -0.317 119.959 120.300 -0.039 0.000 2.535 216 Y HA 0.429 5.004 4.550 0.041 0.000 0.266 216 Y C 1.526 177.353 175.900 -0.122 0.000 1.088 216 Y CA -0.231 57.848 58.100 -0.035 0.000 1.285 216 Y CB -0.348 38.161 38.460 0.083 0.000 1.166 216 Y HN -0.162 nan 8.280 nan 0.000 0.525 217 A N -0.486 122.321 122.820 -0.021 0.000 2.301 217 A HA 0.359 4.704 4.320 0.042 0.000 0.312 217 A C -0.008 177.451 177.584 -0.207 0.000 1.182 217 A CA -0.414 51.566 52.037 -0.095 0.000 0.826 217 A CB 0.207 19.155 19.000 -0.086 0.000 1.134 217 A HN 0.484 nan 8.150 nan 0.000 0.501 218 H N 1.098 120.076 119.070 -0.152 0.000 2.387 218 H HA 0.033 4.614 4.556 0.041 0.000 0.299 218 H C -0.662 174.120 175.328 -0.910 0.000 1.090 218 H CA 2.248 57.983 56.048 -0.522 0.000 1.332 218 H CB -0.086 29.203 29.762 -0.788 0.000 1.386 218 H HN 0.585 nan 8.280 nan 0.000 0.516 219 F N -0.573 119.382 119.950 0.009 0.000 2.561 219 F HA 0.442 4.994 4.527 0.041 0.000 0.313 219 F C -0.944 174.806 175.800 -0.084 0.000 1.126 219 F CA -1.158 56.806 58.000 -0.060 0.000 0.918 219 F CB 1.908 40.835 39.000 -0.122 0.000 1.199 219 F HN -0.341 nan 8.300 nan 0.000 0.444 220 V N 2.039 121.985 119.914 0.053 0.000 2.409 220 V HA 0.574 4.719 4.120 0.042 0.000 0.291 220 V C -0.135 175.914 176.094 -0.075 0.000 1.020 220 V CA -0.669 61.587 62.300 -0.074 0.000 0.848 220 V CB 1.862 33.576 31.823 -0.181 0.000 0.990 220 V HN 0.879 nan 8.190 nan 0.000 0.430 221 T N 1.011 115.513 114.554 -0.086 0.000 2.945 221 T HA 0.829 5.204 4.350 0.042 0.000 0.286 221 T C -0.286 174.338 174.700 -0.127 0.000 1.025 221 T CA -0.625 61.421 62.100 -0.091 0.000 1.039 221 T CB 2.134 70.959 68.868 -0.072 0.000 1.068 221 T HN 0.721 nan 8.240 nan 0.000 0.497 222 T N 0.367 114.850 114.554 -0.118 0.000 2.786 222 T HA 0.586 4.961 4.350 0.042 0.000 0.316 222 T C -0.689 173.952 174.700 -0.099 0.000 1.503 222 T CA -0.391 61.628 62.100 -0.135 0.000 1.019 222 T CB 1.324 70.065 68.868 -0.212 0.000 1.415 222 T HN 1.183 nan 8.240 nan 0.000 0.496 223 T N -0.042 114.422 114.554 -0.150 0.000 2.918 223 T HA 0.464 4.839 4.350 0.042 0.000 0.283 223 T C 1.418 176.060 174.700 -0.096 0.000 1.001 223 T CA 0.158 62.159 62.100 -0.165 0.000 1.041 223 T CB 1.039 69.601 68.868 -0.511 0.000 1.028 223 T HN 0.756 nan 8.240 nan 0.000 0.511 224 T N -2.414 112.170 114.554 0.050 0.000 3.044 224 T HA 0.089 4.464 4.350 0.042 0.000 0.250 224 T C 1.023 175.797 174.700 0.123 0.000 1.081 224 T CA -0.014 62.176 62.100 0.150 0.000 1.040 224 T CB -0.492 68.489 68.868 0.188 0.000 0.962 224 T HN 0.895 nan 8.240 nan 0.000 0.506 225 H N 1.085 120.161 119.070 0.009 0.000 2.584 225 H HA 0.605 5.187 4.556 0.045 0.000 0.299 225 H C 0.433 175.739 175.328 -0.036 0.000 1.548 225 H CA -0.504 55.535 56.048 -0.014 0.000 1.544 225 H CB 0.498 30.236 29.762 -0.040 0.000 1.732 225 H HN 0.113 nan 8.280 nan 0.000 0.813 226 K N -1.953 118.392 120.400 -0.092 0.000 3.196 226 K HA -0.236 4.109 4.320 0.042 0.000 0.508 226 K C 1.472 178.045 176.600 -0.045 0.000 1.844 226 K CA 1.266 57.450 56.287 -0.171 0.000 0.810 226 K CB -1.836 30.419 32.500 -0.408 0.000 1.356 226 K HN 0.828 nan 8.250 nan 0.000 0.556 227 T N -0.198 114.303 114.554 -0.088 0.000 2.881 227 T HA -0.099 4.276 4.350 0.042 0.000 0.270 227 T C 1.702 176.568 174.700 0.277 0.000 1.068 227 T CA 1.588 63.709 62.100 0.034 0.000 1.131 227 T CB -0.059 68.726 68.868 -0.138 0.000 0.871 227 T HN 0.333 nan 8.240 nan 0.000 0.479 228 L N 1.216 122.567 121.223 0.214 0.000 2.362 228 L HA 0.299 4.664 4.340 0.042 0.000 0.219 228 L C 1.658 178.677 176.870 0.247 0.000 1.134 228 L CA 1.014 56.020 54.840 0.277 0.000 0.807 228 L CB -1.242 40.940 42.059 0.206 0.000 0.927 228 L HN 0.463 nan 8.230 nan 0.000 0.447 229 R N -1.124 119.510 120.500 0.222 0.000 3.525 229 R HA -0.164 4.201 4.340 0.042 0.000 0.276 229 R C 0.465 176.825 176.300 0.099 0.000 1.116 229 R CA 0.437 56.641 56.100 0.173 0.000 0.745 229 R CB -1.659 28.787 30.300 0.243 0.000 1.185 229 R HN 0.553 nan 8.270 nan 0.000 0.454 230 G N 0.061 108.917 108.800 0.092 0.000 2.938 230 G HA2 0.688 4.673 3.960 0.042 0.000 0.258 230 G HA3 0.688 4.673 3.960 0.042 0.000 0.258 230 G C -2.624 172.303 174.900 0.045 0.000 1.356 230 G CA -0.927 44.195 45.100 0.036 0.000 1.052 230 G HN 0.136 nan 8.290 nan 0.000 0.550 231 P HA 0.194 nan 4.420 nan 0.000 0.274 231 P C -0.573 176.738 177.300 0.017 0.000 1.246 231 P CA -0.477 62.610 63.100 -0.022 0.000 0.795 231 P CB 1.068 32.724 31.700 -0.074 0.000 1.006 232 R N 0.271 120.717 120.500 -0.091 0.000 2.370 232 R HA 0.506 4.871 4.340 0.042 0.000 0.309 232 R C 0.422 176.700 176.300 -0.038 0.000 1.059 232 R CA 0.804 56.758 56.100 -0.242 0.000 0.981 232 R CB -0.439 29.608 30.300 -0.422 0.000 0.972 232 R HN 0.866 nan 8.270 nan 0.000 0.437 233 G N 1.181 110.068 108.800 0.144 0.000 2.313 233 G HA2 0.374 4.359 3.960 0.042 0.000 0.296 233 G HA3 0.374 4.359 3.960 0.042 0.000 0.296 233 G C -1.253 173.735 174.900 0.147 0.000 1.356 233 G CA -0.448 44.719 45.100 0.111 0.000 0.833 233 G HN 0.780 nan 8.290 nan 0.000 0.552 234 G N -1.376 107.478 108.800 0.091 0.000 2.735 234 G HA2 0.846 4.831 3.960 0.042 0.000 0.301 234 G HA3 0.846 4.831 3.960 0.042 0.000 0.301 234 G C -0.656 174.280 174.900 0.061 0.000 1.279 234 G CA -0.385 44.751 45.100 0.060 0.000 1.019 234 G HN 1.239 nan 8.290 nan 0.000 0.497 235 M N -0.276 119.342 119.600 0.031 0.000 2.490 235 M HA 0.567 5.072 4.480 0.042 0.000 0.286 235 M C -2.132 174.158 176.300 -0.016 0.000 1.185 235 M CA -0.613 54.707 55.300 0.034 0.000 0.912 235 M CB 2.125 34.771 32.600 0.076 0.000 1.744 235 M HN 0.399 nan 8.290 nan 0.000 0.494 236 I N 4.753 125.324 120.570 0.002 0.000 2.465 236 I HA 0.486 4.681 4.170 0.042 0.000 0.291 236 I C -1.206 174.918 176.117 0.013 0.000 1.014 236 I CA -0.746 60.560 61.300 0.010 0.000 1.093 236 I CB 1.941 39.974 38.000 0.055 0.000 1.267 236 I HN 0.597 nan 8.210 nan 0.000 0.431 237 L N 6.054 127.274 121.223 -0.005 0.000 2.334 237 L HA 0.836 5.201 4.340 0.042 0.000 0.273 237 L C -0.438 176.490 176.870 0.097 0.000 1.013 237 L CA -0.634 54.212 54.840 0.010 0.000 0.816 237 L CB 1.865 43.875 42.059 -0.082 0.000 1.278 237 L HN 0.815 nan 8.230 nan 0.000 0.431 238 C N -0.358 119.030 119.300 0.147 0.000 3.275 238 C HA 0.389 4.874 4.460 0.042 0.000 0.340 238 C C -0.678 174.416 174.990 0.173 0.000 1.366 238 C CA -1.020 58.101 59.018 0.173 0.000 1.227 238 C CB 1.680 29.598 27.740 0.297 0.000 1.512 238 C HN 0.883 nan 8.230 nan 0.000 0.461 239 Q N 0.457 120.359 119.800 0.169 0.000 2.368 239 Q HA 0.180 4.545 4.340 0.042 0.000 0.237 239 Q C 0.990 177.013 176.000 0.038 0.000 0.987 239 Q CA 0.152 56.003 55.803 0.080 0.000 0.896 239 Q CB 1.100 29.849 28.738 0.017 0.000 1.241 239 Q HN 0.846 nan 8.270 nan 0.000 0.485 240 E N 1.344 121.530 120.200 -0.024 0.000 2.171 240 E HA -0.295 4.080 4.350 0.042 0.000 0.197 240 E C 1.742 178.244 176.600 -0.163 0.000 0.997 240 E CA 2.194 58.548 56.400 -0.076 0.000 0.810 240 E CB 0.026 29.692 29.700 -0.057 0.000 0.738 240 E HN 0.646 nan 8.360 nan 0.000 0.467 241 Q N -1.094 118.546 119.800 -0.268 0.000 2.234 241 Q HA -0.158 4.207 4.340 0.042 0.000 0.206 241 Q C 1.084 176.804 176.000 -0.467 0.000 0.980 241 Q CA 1.653 57.199 55.803 -0.427 0.000 0.869 241 Q CB -0.402 27.975 28.738 -0.602 0.000 0.912 241 Q HN 0.366 nan 8.270 nan 0.000 0.436 242 F N -0.144 119.794 119.950 -0.019 0.000 2.695 242 F HA 0.504 5.056 4.527 0.041 0.000 0.303 242 F C 2.045 177.827 175.800 -0.030 0.000 1.091 242 F CA -0.172 57.850 58.000 0.037 0.000 1.300 242 F CB -0.046 39.044 39.000 0.149 0.000 1.071 242 F HN 0.157 nan 8.300 nan 0.000 0.578 243 A N 0.888 123.661 122.820 -0.078 0.000 1.865 243 A HA -0.265 4.080 4.320 0.042 0.000 0.217 243 A C 2.346 179.721 177.584 -0.347 0.000 1.191 243 A CA 2.109 53.848 52.037 -0.497 0.000 0.623 243 A CB -0.650 17.816 19.000 -0.890 0.000 0.826 243 A HN 0.334 nan 8.150 nan 0.000 0.444 244 K N -0.570 119.709 120.400 -0.201 0.000 2.063 244 K HA -0.231 4.114 4.320 0.042 0.000 0.208 244 K C 2.266 178.850 176.600 -0.027 0.000 1.048 244 K CA 1.891 58.111 56.287 -0.112 0.000 0.928 244 K CB -0.213 32.248 32.500 -0.065 0.000 0.713 244 K HN 0.669 nan 8.250 nan 0.000 0.442 245 Q N 0.047 119.867 119.800 0.034 0.000 2.123 245 Q HA -0.091 4.274 4.340 0.042 0.000 0.199 245 Q C 2.098 178.150 176.000 0.087 0.000 0.966 245 Q CA 0.972 56.820 55.803 0.076 0.000 0.845 245 Q CB 0.031 28.842 28.738 0.121 0.000 0.907 245 Q HN 0.299 nan 8.270 nan 0.000 0.439 246 I N 1.451 122.087 120.570 0.110 0.000 2.226 246 I HA -0.237 3.958 4.170 0.042 0.000 0.245 246 I C 1.479 177.667 176.117 0.118 0.000 1.100 246 I CA 1.430 62.800 61.300 0.117 0.000 1.374 246 I CB -0.864 37.254 38.000 0.196 0.000 1.057 246 I HN 0.208 nan 8.210 nan 0.000 0.413 247 D N 0.904 121.334 120.400 0.050 0.000 2.117 247 D HA -0.152 4.513 4.640 0.042 0.000 0.198 247 D C 2.215 178.635 176.300 0.200 0.000 0.982 247 D CA 1.131 55.118 54.000 -0.022 0.000 0.828 247 D CB -0.090 40.419 40.800 -0.485 0.000 0.967 247 D HN 0.298 nan 8.370 nan 0.000 0.464 248 K N 0.519 121.004 120.400 0.142 0.000 2.148 248 K HA -0.001 4.344 4.320 0.042 0.000 0.204 248 K C 2.070 178.781 176.600 0.184 0.000 1.050 248 K CA 0.964 57.354 56.287 0.172 0.000 0.942 248 K CB -0.008 32.557 32.500 0.108 0.000 0.724 248 K HN 0.019 nan 8.250 nan 0.000 0.446 249 A N 1.596 124.537 122.820 0.202 0.000 1.902 249 A HA -0.162 4.183 4.320 0.042 0.000 0.217 249 A C 2.060 179.735 177.584 0.151 0.000 1.181 249 A CA 1.198 53.403 52.037 0.279 0.000 0.623 249 A CB -0.413 18.746 19.000 0.265 0.000 0.818 249 A HN 0.089 nan 8.150 nan 0.000 0.443 250 I N -2.586 118.087 120.570 0.171 0.000 2.179 250 I HA -0.029 4.166 4.170 0.042 0.000 0.242 250 I C 0.589 176.832 176.117 0.210 0.000 1.088 250 I CA 1.405 62.797 61.300 0.154 0.000 1.357 250 I CB -0.645 37.480 38.000 0.209 0.000 1.051 250 I HN 0.349 nan 8.210 nan 0.000 0.409 251 F N 2.265 122.316 119.950 0.168 0.000 2.630 251 F HA 0.399 4.953 4.527 0.045 0.000 0.325 251 F C -2.291 173.634 175.800 0.208 0.000 1.184 251 F CA -1.842 56.231 58.000 0.123 0.000 1.011 251 F CB 1.847 40.864 39.000 0.029 0.000 1.268 251 F HN -0.238 nan 8.300 nan 0.000 0.480 252 P HA 0.198 nan 4.420 nan 0.000 0.257 252 P C 0.945 178.027 177.300 -0.364 0.000 1.325 252 P CA 0.509 62.947 63.100 -1.103 0.000 0.850 252 P CB 0.465 31.559 31.700 -1.009 0.000 1.324 253 G N 1.990 110.710 108.800 -0.134 0.000 2.434 253 G HA2 -0.154 3.831 3.960 0.042 0.000 0.214 253 G HA3 -0.154 3.831 3.960 0.042 0.000 0.214 253 G C 1.277 175.936 174.900 -0.400 0.000 1.202 253 G CA 0.945 45.971 45.100 -0.123 0.000 0.788 253 G HN 0.434 nan 8.290 nan 0.000 0.539 254 I N -3.606 116.782 120.570 -0.305 0.000 4.456 254 I HA 0.437 4.633 4.170 0.042 0.000 0.329 254 I C 0.701 176.743 176.117 -0.124 0.000 1.313 254 I CA -0.221 60.887 61.300 -0.320 0.000 1.205 254 I CB 0.557 38.310 38.000 -0.412 0.000 1.179 254 I HN 0.046 nan 8.210 nan 0.000 0.419 255 Q N 0.891 120.683 119.800 -0.013 0.000 2.962 255 Q HA 0.708 5.073 4.340 0.042 0.000 0.282 255 Q C -0.028 176.130 176.000 0.264 0.000 1.058 255 Q CA -0.457 55.393 55.803 0.079 0.000 0.854 255 Q CB 1.961 30.648 28.738 -0.084 0.000 1.441 255 Q HN 0.260 nan 8.270 nan 0.000 0.497 256 G N -0.578 108.384 108.800 0.269 0.000 3.244 256 G HA2 0.460 4.445 3.960 0.042 0.000 0.197 256 G HA3 0.460 4.445 3.960 0.042 0.000 0.197 256 G C -0.381 174.530 174.900 0.018 0.000 1.531 256 G CA -0.099 45.174 45.100 0.288 0.000 0.747 256 G HN 0.577 nan 8.290 nan 0.000 0.763 257 G N 1.912 110.788 108.800 0.127 0.000 2.380 257 G HA2 0.479 4.464 3.960 0.042 0.000 0.242 257 G HA3 0.479 4.464 3.960 0.042 0.000 0.242 257 G C -2.102 172.853 174.900 0.091 0.000 1.298 257 G CA -0.242 44.900 45.100 0.069 0.000 0.878 257 G HN 0.386 nan 8.290 nan 0.000 0.542 258 P HA 0.216 nan 4.420 nan 0.000 0.276 258 P C -0.113 177.248 177.300 0.102 0.000 1.252 258 P CA -0.596 62.536 63.100 0.054 0.000 0.802 258 P CB 1.249 32.902 31.700 -0.078 0.000 1.035 259 L N 2.420 123.705 121.223 0.104 0.000 2.375 259 L HA 0.127 4.492 4.340 0.042 0.000 0.276 259 L C 1.777 178.620 176.870 -0.045 0.000 1.162 259 L CA -0.472 54.376 54.840 0.013 0.000 0.991 259 L CB -0.177 41.797 42.059 -0.143 0.000 1.315 259 L HN 0.237 nan 8.230 nan 0.000 0.431 260 M N 1.337 120.999 119.600 0.103 0.000 2.159 260 M HA -0.160 4.345 4.480 0.042 0.000 0.263 260 M C 2.399 178.745 176.300 0.078 0.000 1.063 260 M CA 1.578 56.922 55.300 0.074 0.000 1.110 260 M CB -1.098 31.552 32.600 0.083 0.000 1.374 260 M HN 0.639 nan 8.290 nan 0.000 0.411 261 H N -0.696 118.367 119.070 -0.011 0.000 2.387 261 H HA 0.024 4.593 4.556 0.021 0.000 0.299 261 H C 2.072 177.383 175.328 -0.028 0.000 1.090 261 H CA 1.469 57.506 56.048 -0.018 0.000 1.332 261 H CB -1.453 28.300 29.762 -0.016 0.000 1.386 261 H HN 0.253 nan 8.280 nan 0.000 0.516 262 V N 1.540 121.142 119.914 -0.519 0.000 2.453 262 V HA -0.164 3.981 4.120 0.042 0.000 0.247 262 V C 2.968 178.950 176.094 -0.188 0.000 1.048 262 V CA 1.425 63.526 62.300 -0.330 0.000 1.049 262 V CB -0.551 31.065 31.823 -0.345 0.000 0.672 262 V HN 0.242 nan 8.190 nan 0.000 0.457 263 I N 0.623 121.106 120.570 -0.145 0.000 2.286 263 I HA -0.229 3.966 4.170 0.042 0.000 0.248 263 I C 2.673 178.720 176.117 -0.116 0.000 1.115 263 I CA 1.368 62.605 61.300 -0.105 0.000 1.392 263 I CB -0.523 37.447 38.000 -0.050 0.000 1.065 263 I HN 0.288 nan 8.210 nan 0.000 0.418 264 A N 0.795 123.569 122.820 -0.077 0.000 1.883 264 A HA -0.209 4.136 4.320 0.042 0.000 0.217 264 A C 2.539 180.056 177.584 -0.112 0.000 1.186 264 A CA 1.981 53.980 52.037 -0.064 0.000 0.624 264 A CB -0.863 18.130 19.000 -0.013 0.000 0.822 264 A HN 0.433 nan 8.150 nan 0.000 0.444 265 A N -0.359 122.388 122.820 -0.122 0.000 1.972 265 A HA -0.139 4.206 4.320 0.042 0.000 0.219 265 A C 2.082 179.514 177.584 -0.254 0.000 1.169 265 A CA 1.756 53.707 52.037 -0.143 0.000 0.635 265 A CB -0.399 18.537 19.000 -0.106 0.000 0.810 265 A HN 0.572 nan 8.150 nan 0.000 0.446 266 K N -0.175 120.015 120.400 -0.350 0.000 2.032 266 K HA -0.099 4.246 4.320 0.042 0.000 0.209 266 K C 2.348 178.321 176.600 -1.044 0.000 1.048 266 K CA 1.209 57.054 56.287 -0.736 0.000 0.927 266 K CB -0.394 31.718 32.500 -0.647 0.000 0.712 266 K HN 0.426 nan 8.250 nan 0.000 0.441 267 A N 1.196 123.693 122.820 -0.539 0.000 1.917 267 A HA -0.167 4.178 4.320 0.042 0.000 0.219 267 A C 2.420 179.881 177.584 -0.204 0.000 1.182 267 A CA 1.768 53.636 52.037 -0.282 0.000 0.633 267 A CB -0.839 18.102 19.000 -0.099 0.000 0.819 267 A HN 0.092 nan 8.150 nan 0.000 0.448 268 V N -0.264 119.535 119.914 -0.192 0.000 2.295 268 V HA -0.258 3.888 4.120 0.042 0.000 0.246 268 V C 3.056 179.080 176.094 -0.117 0.000 1.049 268 V CA 2.053 64.284 62.300 -0.115 0.000 1.024 268 V CB -1.319 30.451 31.823 -0.089 0.000 0.648 268 V HN 0.634 nan 8.190 nan 0.000 0.447 269 A N -0.579 122.127 122.820 -0.190 0.000 1.933 269 A HA -0.154 4.191 4.320 0.042 0.000 0.218 269 A C 2.143 179.711 177.584 -0.027 0.000 1.175 269 A CA 1.704 53.664 52.037 -0.129 0.000 0.628 269 A CB -0.722 18.195 19.000 -0.139 0.000 0.814 269 A HN 0.545 nan 8.150 nan 0.000 0.444 270 F N -0.013 119.869 119.950 -0.113 0.000 2.186 270 F HA -0.100 4.459 4.527 0.054 0.000 0.299 270 F C 2.720 178.427 175.800 -0.155 0.000 1.090 270 F CA 0.251 58.167 58.000 -0.141 0.000 1.307 270 F CB -0.514 38.443 39.000 -0.073 0.000 1.019 270 F HN 0.374 nan 8.300 nan 0.000 0.489 271 G N 0.321 109.162 108.800 0.069 0.000 2.440 271 G HA2 -0.241 3.744 3.960 0.042 0.000 0.218 271 G HA3 -0.241 3.744 3.960 0.042 0.000 0.218 271 G C 1.363 176.248 174.900 -0.025 0.000 1.154 271 G CA 0.858 45.965 45.100 0.012 0.000 0.767 271 G HN 0.339 nan 8.290 nan 0.000 0.552 272 E N 0.521 120.692 120.200 -0.049 0.000 2.077 272 E HA -0.056 4.319 4.350 0.042 0.000 0.193 272 E C 2.867 179.385 176.600 -0.137 0.000 0.989 272 E CA 0.837 57.203 56.400 -0.056 0.000 0.800 272 E CB -0.193 29.478 29.700 -0.049 0.000 0.746 272 E HN 0.425 nan 8.360 nan 0.000 0.452 273 A N 0.849 123.443 122.820 -0.377 0.000 2.067 273 A HA -0.078 4.267 4.320 0.042 0.000 0.219 273 A C 2.067 179.506 177.584 -0.241 0.000 1.158 273 A CA 0.716 52.294 52.037 -0.764 0.000 0.661 273 A CB -0.367 18.061 19.000 -0.954 0.000 0.801 273 A HN 0.136 nan 8.150 nan 0.000 0.452 274 L N -0.717 120.426 121.223 -0.134 0.000 2.376 274 L HA -0.056 4.309 4.340 0.042 0.000 0.219 274 L C 1.031 177.907 176.870 0.009 0.000 1.133 274 L CA 0.251 55.054 54.840 -0.062 0.000 0.816 274 L CB -0.236 41.791 42.059 -0.052 0.000 0.933 274 L HN 0.465 nan 8.230 nan 0.000 0.449 275 Q N -0.351 119.475 119.800 0.044 0.000 2.306 275 Q HA -0.006 4.359 4.340 0.042 0.000 0.241 275 Q C 0.534 176.611 176.000 0.129 0.000 0.948 275 Q CA -0.519 55.331 55.803 0.078 0.000 0.886 275 Q CB 1.214 29.997 28.738 0.075 0.000 1.227 275 Q HN 0.007 nan 8.270 nan 0.000 0.457 276 D N 1.278 121.736 120.400 0.097 0.000 2.149 276 D HA -0.188 4.477 4.640 0.042 0.000 0.198 276 D C 1.176 177.549 176.300 0.121 0.000 0.990 276 D CA 1.538 55.596 54.000 0.097 0.000 0.839 276 D CB -0.057 40.782 40.800 0.065 0.000 0.948 276 D HN 0.646 nan 8.370 nan 0.000 0.460 277 D N -0.191 120.285 120.400 0.127 0.000 2.264 277 D HA -0.175 4.490 4.640 0.042 0.000 0.208 277 D C 1.953 178.368 176.300 0.192 0.000 0.966 277 D CA 0.258 54.337 54.000 0.132 0.000 0.864 277 D CB -0.988 39.876 40.800 0.107 0.000 0.933 277 D HN 0.260 nan 8.370 nan 0.000 0.499 278 F N 1.283 121.296 119.950 0.105 0.000 2.186 278 F HA -0.049 4.503 4.527 0.041 0.000 0.299 278 F C 1.932 177.842 175.800 0.185 0.000 1.090 278 F CA 1.128 59.229 58.000 0.169 0.000 1.307 278 F CB 0.038 39.110 39.000 0.119 0.000 1.019 278 F HN -0.251 nan 8.300 nan 0.000 0.489 279 K N 0.830 121.346 120.400 0.193 0.000 2.032 279 K HA -0.136 4.209 4.320 0.042 0.000 0.209 279 K C 2.292 178.879 176.600 -0.022 0.000 1.048 279 K CA 1.560 57.887 56.287 0.066 0.000 0.927 279 K CB -1.165 31.393 32.500 0.096 0.000 0.712 279 K HN 0.339 nan 8.250 nan 0.000 0.441 280 A N -0.092 122.741 122.820 0.023 0.000 1.902 280 A HA -0.206 4.139 4.320 0.042 0.000 0.217 280 A C 2.186 179.762 177.584 -0.014 0.000 1.181 280 A CA 1.657 53.702 52.037 0.014 0.000 0.623 280 A CB -0.941 18.089 19.000 0.051 0.000 0.818 280 A HN 0.436 nan 8.150 nan 0.000 0.443 281 Y N 0.901 121.122 120.300 -0.132 0.000 2.081 281 Y HA -0.193 4.385 4.550 0.047 0.000 0.280 281 Y C 2.593 178.350 175.900 -0.238 0.000 1.163 281 Y CA 1.600 59.592 58.100 -0.181 0.000 1.135 281 Y CB -0.827 37.489 38.460 -0.240 0.000 0.970 281 Y HN 0.289 nan 8.280 nan 0.000 0.498 282 A N 0.400 122.804 122.820 -0.692 0.000 1.902 282 A HA -0.227 4.118 4.320 0.042 0.000 0.217 282 A C 2.351 179.712 177.584 -0.372 0.000 1.181 282 A CA 1.976 53.596 52.037 -0.694 0.000 0.623 282 A CB -0.852 17.848 19.000 -0.500 0.000 0.818 282 A HN 0.571 nan 8.150 nan 0.000 0.443 283 K N -0.428 119.839 120.400 -0.222 0.000 2.097 283 K HA -0.137 4.208 4.320 0.042 0.000 0.206 283 K C 2.249 178.775 176.600 -0.123 0.000 1.049 283 K CA 1.327 57.540 56.287 -0.122 0.000 0.933 283 K CB -0.156 32.307 32.500 -0.061 0.000 0.717 283 K HN 0.444 nan 8.250 nan 0.000 0.442 284 R N 0.059 120.469 120.500 -0.149 0.000 2.120 284 R HA -0.095 4.270 4.340 0.042 0.000 0.234 284 R C 2.232 178.453 176.300 -0.131 0.000 1.123 284 R CA 1.244 57.283 56.100 -0.101 0.000 0.975 284 R CB -0.299 29.976 30.300 -0.042 0.000 0.866 284 R HN 0.069 nan 8.270 nan 0.000 0.446 285 V N 0.548 120.295 119.914 -0.278 0.000 2.255 285 V HA -0.231 3.914 4.120 0.042 0.000 0.247 285 V C 2.355 178.397 176.094 -0.086 0.000 1.051 285 V CA 1.767 63.931 62.300 -0.226 0.000 1.018 285 V CB -0.346 31.244 31.823 -0.389 0.000 0.641 285 V HN 0.114 nan 8.190 nan 0.000 0.445 286 V N -0.033 119.832 119.914 -0.082 0.000 2.358 286 V HA -0.215 3.930 4.120 0.042 0.000 0.246 286 V C 2.273 178.359 176.094 -0.014 0.000 1.047 286 V CA 1.996 64.285 62.300 -0.019 0.000 1.035 286 V CB -0.728 31.092 31.823 -0.005 0.000 0.658 286 V HN 0.529 nan 8.190 nan 0.000 0.452 287 D N 0.422 120.806 120.400 -0.026 0.000 2.104 287 D HA -0.150 4.515 4.640 0.042 0.000 0.194 287 D C 2.094 178.395 176.300 0.002 0.000 0.994 287 D CA 1.271 55.265 54.000 -0.010 0.000 0.830 287 D CB -0.387 40.406 40.800 -0.012 0.000 0.959 287 D HN 0.341 nan 8.370 nan 0.000 0.452 288 N N 0.565 119.267 118.700 0.004 0.000 2.120 288 N HA -0.096 4.669 4.740 0.042 0.000 0.188 288 N C 1.726 177.251 175.510 0.025 0.000 1.024 288 N CA 1.301 54.367 53.050 0.027 0.000 0.852 288 N CB -0.463 38.050 38.487 0.044 0.000 1.003 288 N HN 0.127 nan 8.380 nan 0.000 0.424 289 A N 1.224 124.052 122.820 0.014 0.000 1.883 289 A HA -0.179 4.166 4.320 0.042 0.000 0.217 289 A C 2.173 179.758 177.584 0.002 0.000 1.186 289 A CA 1.671 53.712 52.037 0.006 0.000 0.624 289 A CB -0.477 18.525 19.000 0.003 0.000 0.822 289 A HN 0.269 nan 8.150 nan 0.000 0.444 290 K N -1.191 119.211 120.400 0.004 0.000 2.097 290 K HA -0.144 4.202 4.320 0.042 0.000 0.206 290 K C 2.359 178.965 176.600 0.011 0.000 1.049 290 K CA 1.516 57.806 56.287 0.004 0.000 0.933 290 K CB -0.113 32.388 32.500 0.002 0.000 0.717 290 K HN 0.342 nan 8.250 nan 0.000 0.442 291 R N 1.177 121.686 120.500 0.015 0.000 2.066 291 R HA -0.086 4.279 4.340 0.042 0.000 0.232 291 R C 2.019 178.336 176.300 0.028 0.000 1.131 291 R CA 1.106 57.219 56.100 0.021 0.000 0.955 291 R CB -0.767 29.547 30.300 0.024 0.000 0.851 291 R HN 0.108 nan 8.270 nan 0.000 0.432 292 L N 0.410 121.650 121.223 0.029 0.000 2.042 292 L HA -0.019 4.346 4.340 0.042 0.000 0.210 292 L C 2.101 178.987 176.870 0.028 0.000 1.076 292 L CA 2.259 57.118 54.840 0.032 0.000 0.749 292 L CB -1.110 40.966 42.059 0.029 0.000 0.893 292 L HN 0.294 nan 8.230 nan 0.000 0.432 293 A N -1.717 121.113 122.820 0.017 0.000 1.883 293 A HA -0.258 4.087 4.320 0.042 0.000 0.217 293 A C 2.530 180.137 177.584 0.038 0.000 1.186 293 A CA 2.140 54.188 52.037 0.018 0.000 0.624 293 A CB -1.269 17.734 19.000 0.005 0.000 0.822 293 A HN 0.516 nan 8.150 nan 0.000 0.444 294 S N -0.625 115.094 115.700 0.032 0.000 2.359 294 S HA -0.083 4.412 4.470 0.042 0.000 0.224 294 S C 2.203 176.832 174.600 0.047 0.000 1.035 294 S CA 1.682 59.903 58.200 0.035 0.000 1.018 294 S CB -0.505 62.709 63.200 0.024 0.000 0.876 294 S HN 0.847 nan 8.310 nan 0.000 0.448 295 A N 0.978 123.828 122.820 0.050 0.000 1.933 295 A HA 0.042 4.387 4.320 0.042 0.000 0.218 295 A C 2.174 179.820 177.584 0.104 0.000 1.175 295 A CA 1.296 53.370 52.037 0.062 0.000 0.628 295 A CB -0.673 18.359 19.000 0.054 0.000 0.814 295 A HN 0.569 nan 8.150 nan 0.000 0.444 296 L N -1.103 120.196 121.223 0.127 0.000 2.056 296 L HA -0.232 4.133 4.340 0.042 0.000 0.207 296 L C 2.873 179.909 176.870 0.275 0.000 1.078 296 L CA 1.492 56.483 54.840 0.250 0.000 0.749 296 L CB -0.523 41.627 42.059 0.150 0.000 0.901 296 L HN 0.457 nan 8.230 nan 0.000 0.433 297 Q N -0.362 119.530 119.800 0.152 0.000 2.084 297 Q HA -0.245 4.120 4.340 0.042 0.000 0.202 297 Q C 2.068 178.101 176.000 0.055 0.000 0.978 297 Q CA 1.654 57.518 55.803 0.103 0.000 0.844 297 Q CB -0.300 28.478 28.738 0.066 0.000 0.898 297 Q HN 0.482 nan 8.270 nan 0.000 0.426 298 N N 0.438 119.169 118.700 0.051 0.000 2.137 298 N HA -0.204 4.561 4.740 0.042 0.000 0.190 298 N C 1.174 176.683 175.510 -0.003 0.000 1.017 298 N CA 0.954 54.018 53.050 0.023 0.000 0.859 298 N CB 0.171 38.675 38.487 0.029 0.000 1.002 298 N HN 0.227 nan 8.380 nan 0.000 0.428 299 E N -0.335 119.872 120.200 0.013 0.000 2.478 299 E HA -0.028 4.347 4.350 0.042 0.000 0.198 299 E C 1.144 177.565 176.600 -0.299 0.000 1.046 299 E CA 0.753 57.099 56.400 -0.090 0.000 0.870 299 E CB -0.134 29.578 29.700 0.019 0.000 0.818 299 E HN 0.625 nan 8.360 nan 0.000 0.527 300 G N 0.730 109.401 108.800 -0.215 0.000 2.163 300 G HA2 -0.229 3.756 3.960 0.042 0.000 0.213 300 G HA3 -0.229 3.756 3.960 0.042 0.000 0.213 300 G C -0.063 174.679 174.900 -0.262 0.000 0.991 300 G CA -0.330 44.624 45.100 -0.242 0.000 0.653 300 G HN 0.121 nan 8.290 nan 0.000 0.518 301 F N 1.789 121.744 119.950 0.008 0.000 2.399 301 F HA 0.571 5.124 4.527 0.043 0.000 0.342 301 F C 1.179 176.985 175.800 0.011 0.000 1.106 301 F CA 0.030 58.035 58.000 0.009 0.000 1.196 301 F CB 1.278 40.282 39.000 0.007 0.000 1.163 301 F HN -0.083 nan 8.300 nan 0.000 0.547 302 T N 4.830 119.521 114.554 0.228 0.000 2.806 302 T HA 0.523 4.898 4.350 0.042 0.000 0.290 302 T C -0.138 174.633 174.700 0.118 0.000 0.966 302 T CA -0.512 61.670 62.100 0.138 0.000 1.060 302 T CB 0.314 69.246 68.868 0.106 0.000 0.927 302 T HN 0.266 nan 8.240 nan 0.000 0.485 303 L N 3.219 124.497 121.223 0.091 0.000 2.317 303 L HA 0.482 4.847 4.340 0.042 0.000 0.281 303 L C 0.187 177.100 176.870 0.072 0.000 1.024 303 L CA -1.294 53.579 54.840 0.055 0.000 0.810 303 L CB 1.456 43.540 42.059 0.041 0.000 1.240 303 L HN 0.322 nan 8.230 nan 0.000 0.427 304 V N 2.921 122.849 119.914 0.023 0.000 2.617 304 V HA -0.080 4.065 4.120 0.042 0.000 0.304 304 V C 1.181 177.368 176.094 0.156 0.000 1.040 304 V CA 1.257 63.572 62.300 0.025 0.000 1.149 304 V CB 0.858 32.594 31.823 -0.145 0.000 0.914 304 V HN 1.186 nan 8.190 nan 0.000 0.487 305 S N 2.350 118.314 115.700 0.440 0.000 2.929 305 S HA -0.219 4.277 4.470 0.042 0.000 0.271 305 S C 1.364 176.013 174.600 0.083 0.000 1.295 305 S CA 1.192 59.514 58.200 0.203 0.000 1.277 305 S CB -1.928 61.323 63.200 0.086 0.000 1.557 305 S HN 2.842 nan 8.310 nan 0.000 0.666 306 G N -0.336 108.519 108.800 0.092 0.000 2.143 306 G HA2 0.326 4.311 3.960 0.042 0.000 0.249 306 G HA3 0.326 4.311 3.960 0.042 0.000 0.249 306 G C 0.932 175.848 174.900 0.026 0.000 0.981 306 G CA 0.589 45.718 45.100 0.048 0.000 0.665 306 G HN 2.658 nan 8.290 nan 0.000 0.528 307 G N -2.610 106.200 108.800 0.015 0.000 2.347 307 G HA2 0.628 4.613 3.960 0.042 0.000 0.224 307 G HA3 0.628 4.613 3.960 0.042 0.000 0.224 307 G C -0.504 174.377 174.900 -0.032 0.000 1.318 307 G CA 0.942 46.039 45.100 -0.004 0.000 1.016 307 G HN 1.946 nan 8.290 nan 0.000 0.469 308 T N -0.840 113.692 114.554 -0.038 0.000 3.012 308 T HA 0.557 4.932 4.350 0.042 0.000 0.330 308 T C -1.203 173.472 174.700 -0.041 0.000 1.321 308 T CA 0.142 62.207 62.100 -0.058 0.000 1.067 308 T CB 1.817 70.648 68.868 -0.061 0.000 1.235 308 T HN 0.320 nan 8.240 nan 0.000 0.479 309 D N 2.179 122.552 120.400 -0.044 0.000 2.398 309 D HA 0.190 4.855 4.640 0.042 0.000 0.210 309 D C 0.732 177.057 176.300 0.041 0.000 1.094 309 D CA 0.268 54.261 54.000 -0.012 0.000 0.839 309 D CB 0.539 41.323 40.800 -0.026 0.000 0.963 309 D HN 0.677 nan 8.370 nan 0.000 0.506 310 N N -0.750 117.980 118.700 0.050 0.000 3.567 310 N HA -0.020 4.745 4.740 0.042 0.000 0.347 310 N C 0.964 176.552 175.510 0.130 0.000 1.553 310 N CA -0.308 52.833 53.050 0.151 0.000 0.636 310 N CB -0.194 38.463 38.487 0.283 0.000 2.483 310 N HN -0.149 nan 8.380 nan 0.000 0.608 311 H N -0.980 118.107 119.070 0.029 0.000 2.563 311 H HA 0.337 4.919 4.556 0.042 0.000 0.264 311 H C 0.060 175.399 175.328 0.018 0.000 0.957 311 H CA -0.129 55.927 56.048 0.014 0.000 1.173 311 H CB -0.350 29.430 29.762 0.030 0.000 1.420 311 H HN 0.509 nan 8.280 nan 0.000 0.551 312 L N 0.111 121.035 121.223 -0.499 0.000 2.333 312 L HA 0.686 5.051 4.340 0.042 0.000 0.263 312 L C -1.078 175.658 176.870 -0.222 0.000 1.014 312 L CA -1.599 52.989 54.840 -0.420 0.000 0.820 312 L CB 2.278 43.965 42.059 -0.620 0.000 1.352 312 L HN 0.041 nan 8.230 nan 0.000 0.421 313 L N 0.232 121.359 121.223 -0.159 0.000 2.424 313 L HA 0.817 5.182 4.340 0.042 0.000 0.258 313 L C -1.629 175.178 176.870 -0.104 0.000 0.995 313 L CA -0.777 53.995 54.840 -0.113 0.000 0.821 313 L CB 2.045 44.057 42.059 -0.079 0.000 1.383 313 L HN 0.672 nan 8.230 nan 0.000 0.410 314 L N 2.314 123.485 121.223 -0.088 0.000 2.356 314 L HA 0.672 5.038 4.340 0.042 0.000 0.277 314 L C -0.848 175.978 176.870 -0.074 0.000 0.996 314 L CA -0.969 53.820 54.840 -0.086 0.000 0.822 314 L CB 2.218 44.225 42.059 -0.086 0.000 1.256 314 L HN 0.513 nan 8.230 nan 0.000 0.413 315 V N 1.915 121.776 119.914 -0.089 0.000 2.406 315 V HA 0.118 4.263 4.120 0.042 0.000 0.272 315 V C -0.088 175.980 176.094 -0.043 0.000 1.043 315 V CA -0.486 61.768 62.300 -0.077 0.000 0.915 315 V CB 1.422 33.135 31.823 -0.185 0.000 0.988 315 V HN 0.608 nan 8.190 nan 0.000 0.466 316 D N 4.669 125.067 120.400 -0.003 0.000 2.352 316 D HA 0.184 4.850 4.640 0.042 0.000 0.245 316 D C 0.641 176.976 176.300 0.058 0.000 1.224 316 D CA 0.017 54.023 54.000 0.010 0.000 0.879 316 D CB 1.048 41.857 40.800 0.015 0.000 1.057 316 D HN 0.458 nan 8.370 nan 0.000 0.491 317 L N 3.603 124.855 121.223 0.048 0.000 2.591 317 L HA 0.168 4.533 4.340 0.042 0.000 0.228 317 L C 2.349 179.265 176.870 0.077 0.000 1.133 317 L CA -0.126 54.765 54.840 0.085 0.000 0.880 317 L CB -0.020 42.074 42.059 0.057 0.000 1.033 317 L HN 0.288 nan 8.230 nan 0.000 0.450 318 R N 0.675 121.209 120.500 0.056 0.000 2.096 318 R HA -0.190 4.175 4.340 0.042 0.000 0.240 318 R C -0.412 175.917 176.300 0.049 0.000 1.139 318 R CA 1.670 57.798 56.100 0.048 0.000 0.952 318 R CB -1.594 28.731 30.300 0.042 0.000 0.854 318 R HN 0.306 nan 8.270 nan 0.000 0.436 319 P HA -0.138 nan 4.420 nan 0.000 0.221 319 P C 0.509 177.831 177.300 0.035 0.000 1.145 319 P CA 1.269 64.394 63.100 0.041 0.000 0.795 319 P CB 0.129 31.855 31.700 0.042 0.000 0.775 320 Q N -1.326 118.510 119.800 0.060 0.000 2.280 320 Q HA 0.108 4.473 4.340 0.042 0.000 0.201 320 Q C 0.217 176.247 176.000 0.050 0.000 0.890 320 Q CA 0.106 55.942 55.803 0.057 0.000 0.947 320 Q CB -0.436 28.369 28.738 0.111 0.000 1.081 320 Q HN 0.032 nan 8.270 nan 0.000 0.502 321 Q N -0.223 119.603 119.800 0.044 0.000 2.434 321 Q HA -0.214 4.151 4.340 0.042 0.000 0.299 321 Q C -1.014 175.010 176.000 0.040 0.000 1.286 321 Q CA 0.881 56.706 55.803 0.037 0.000 0.872 321 Q CB -1.880 26.875 28.738 0.028 0.000 1.193 321 Q HN 0.408 nan 8.270 nan 0.000 0.466 322 L N -0.147 121.105 121.223 0.049 0.000 2.354 322 L HA 0.522 4.887 4.340 0.042 0.000 0.269 322 L C 0.959 177.851 176.870 0.037 0.000 1.005 322 L CA -0.728 54.139 54.840 0.046 0.000 0.819 322 L CB 1.937 44.031 42.059 0.059 0.000 1.311 322 L HN 0.124 nan 8.230 nan 0.000 0.423 323 T N -1.774 112.799 114.554 0.031 0.000 2.899 323 T HA 0.252 4.627 4.350 0.042 0.000 0.284 323 T C 1.239 175.949 174.700 0.017 0.000 1.004 323 T CA -0.080 62.035 62.100 0.024 0.000 1.043 323 T CB 1.641 70.525 68.868 0.027 0.000 1.013 323 T HN 0.709 nan 8.240 nan 0.000 0.518 324 G N 0.293 109.097 108.800 0.007 0.000 2.422 324 G HA2 -0.196 3.789 3.960 0.042 0.000 0.218 324 G HA3 -0.196 3.789 3.960 0.042 0.000 0.218 324 G C 1.366 176.267 174.900 0.001 0.000 1.146 324 G CA 0.843 45.940 45.100 -0.006 0.000 0.769 324 G HN 0.849 nan 8.290 nan 0.000 0.547 325 K N -0.171 120.236 120.400 0.013 0.000 2.032 325 K HA -0.112 4.233 4.320 0.042 0.000 0.209 325 K C 2.568 179.180 176.600 0.019 0.000 1.048 325 K CA 1.775 58.074 56.287 0.021 0.000 0.927 325 K CB -0.337 32.184 32.500 0.035 0.000 0.712 325 K HN 0.261 nan 8.250 nan 0.000 0.441 326 T N 0.728 115.294 114.554 0.021 0.000 2.708 326 T HA -0.137 4.238 4.350 0.042 0.000 0.266 326 T C 1.850 176.561 174.700 0.019 0.000 1.037 326 T CA 1.418 63.532 62.100 0.022 0.000 1.146 326 T CB -0.351 68.533 68.868 0.026 0.000 0.865 326 T HN 0.439 nan 8.240 nan 0.000 0.435 327 A N 1.339 124.169 122.820 0.015 0.000 1.883 327 A HA -0.180 4.165 4.320 0.042 0.000 0.217 327 A C 2.208 179.791 177.584 -0.001 0.000 1.186 327 A CA 2.110 54.151 52.037 0.007 0.000 0.624 327 A CB -0.769 18.226 19.000 -0.009 0.000 0.822 327 A HN 0.640 nan 8.150 nan 0.000 0.444 328 E N -0.148 120.049 120.200 -0.004 0.000 2.070 328 E HA -0.292 4.083 4.350 0.042 0.000 0.197 328 E C 2.119 178.723 176.600 0.006 0.000 1.004 328 E CA 1.807 58.205 56.400 -0.003 0.000 0.805 328 E CB -0.167 29.532 29.700 -0.001 0.000 0.744 328 E HN 0.639 nan 8.360 nan 0.000 0.451 329 K N 0.209 120.616 120.400 0.012 0.000 2.026 329 K HA -0.130 4.215 4.320 0.042 0.000 0.208 329 K C 2.184 178.794 176.600 0.016 0.000 1.048 329 K CA 1.391 57.688 56.287 0.015 0.000 0.929 329 K CB -0.248 32.262 32.500 0.018 0.000 0.713 329 K HN 0.147 nan 8.250 nan 0.000 0.439 330 V N 1.526 121.451 119.914 0.017 0.000 2.427 330 V HA -0.185 3.960 4.120 0.042 0.000 0.248 330 V C 2.142 178.248 176.094 0.020 0.000 1.051 330 V CA 1.413 63.725 62.300 0.021 0.000 1.048 330 V CB -0.193 31.645 31.823 0.026 0.000 0.666 330 V HN 0.347 nan 8.190 nan 0.000 0.456 331 L N 0.159 121.391 121.223 0.015 0.000 2.046 331 L HA -0.209 4.156 4.340 0.042 0.000 0.208 331 L C 2.383 179.262 176.870 0.016 0.000 1.077 331 L CA 2.319 57.167 54.840 0.013 0.000 0.747 331 L CB -0.760 41.299 42.059 0.000 0.000 0.896 331 L HN 0.475 nan 8.230 nan 0.000 0.432 332 D N 0.138 120.546 120.400 0.014 0.000 2.158 332 D HA -0.243 4.422 4.640 0.042 0.000 0.197 332 D C 1.967 178.278 176.300 0.019 0.000 0.995 332 D CA 1.326 55.336 54.000 0.016 0.000 0.846 332 D CB 0.105 40.914 40.800 0.015 0.000 0.941 332 D HN 0.340 nan 8.370 nan 0.000 0.456 333 E N -0.553 119.658 120.200 0.019 0.000 2.204 333 E HA -0.125 4.250 4.350 0.042 0.000 0.195 333 E C 2.053 178.666 176.600 0.021 0.000 0.990 333 E CA 1.181 57.593 56.400 0.019 0.000 0.821 333 E CB 0.144 29.855 29.700 0.019 0.000 0.750 333 E HN 0.475 nan 8.360 nan 0.000 0.477 334 V N -3.605 116.323 119.914 0.023 0.000 3.621 334 V HA 0.448 4.594 4.120 0.042 0.000 0.285 334 V C 1.120 177.231 176.094 0.028 0.000 1.346 334 V CA 0.500 62.815 62.300 0.026 0.000 1.104 334 V CB 0.372 32.212 31.823 0.028 0.000 0.913 334 V HN 0.235 nan 8.190 nan 0.000 0.432 335 G N 0.916 109.732 108.800 0.027 0.000 2.134 335 G HA2 -0.177 3.808 3.960 0.042 0.000 0.209 335 G HA3 -0.177 3.808 3.960 0.042 0.000 0.209 335 G C -0.211 174.709 174.900 0.033 0.000 0.993 335 G CA 0.130 45.248 45.100 0.029 0.000 0.669 335 G HN 0.593 nan 8.290 nan 0.000 0.519 336 I N 1.955 122.542 120.570 0.030 0.000 2.339 336 I HA 0.365 4.560 4.170 0.042 0.000 0.290 336 I C 0.114 176.241 176.117 0.017 0.000 0.994 336 I CA -0.544 60.773 61.300 0.028 0.000 1.191 336 I CB 1.776 39.792 38.000 0.027 0.000 1.343 336 I HN 0.015 nan 8.210 nan 0.000 0.458 337 T N 6.564 121.128 114.554 0.016 0.000 2.781 337 T HA 0.458 4.833 4.350 0.042 0.000 0.305 337 T C 0.049 174.749 174.700 0.000 0.000 1.001 337 T CA -0.530 61.577 62.100 0.011 0.000 0.950 337 T CB 0.746 69.624 68.868 0.016 0.000 0.955 337 T HN 0.431 nan 8.240 nan 0.000 0.471 338 V N 1.191 121.101 119.914 -0.006 0.000 3.181 338 V HA 0.787 4.932 4.120 0.042 0.000 0.314 338 V C -0.799 175.288 176.094 -0.012 0.000 1.173 338 V CA -1.384 60.906 62.300 -0.016 0.000 1.052 338 V CB 2.311 34.113 31.823 -0.034 0.000 1.123 338 V HN 0.841 nan 8.190 nan 0.000 0.454 339 N N 0.180 118.870 118.700 -0.017 0.000 2.269 339 N HA 0.334 5.099 4.740 0.042 0.000 0.304 339 N C -0.719 174.774 175.510 -0.028 0.000 1.072 339 N CA -0.792 52.248 53.050 -0.016 0.000 0.802 339 N CB 2.462 40.943 38.487 -0.009 0.000 1.348 339 N HN 0.989 nan 8.380 nan 0.000 0.484 340 K N 1.224 121.609 120.400 -0.025 0.000 2.527 340 K HA 0.013 4.358 4.320 0.042 0.000 0.278 340 K C -0.930 175.642 176.600 -0.046 0.000 0.981 340 K CA 0.096 56.364 56.287 -0.031 0.000 1.009 340 K CB 0.215 32.703 32.500 -0.019 0.000 0.895 340 K HN 0.700 nan 8.250 nan 0.000 0.493 341 N N 0.764 119.433 118.700 -0.053 0.000 2.406 341 N HA 0.087 4.852 4.740 0.042 0.000 0.283 341 N C -1.624 173.847 175.510 -0.066 0.000 1.074 341 N CA -0.564 52.447 53.050 -0.064 0.000 0.916 341 N CB 1.792 40.241 38.487 -0.063 0.000 1.639 341 N HN 0.785 nan 8.380 nan 0.000 0.485 342 T N 0.746 115.255 114.554 -0.075 0.000 2.932 342 T HA 0.320 4.696 4.350 0.042 0.000 0.312 342 T C 0.716 175.372 174.700 -0.072 0.000 1.071 342 T CA -0.347 61.713 62.100 -0.067 0.000 1.128 342 T CB -0.036 68.790 68.868 -0.069 0.000 0.984 342 T HN 0.431 nan 8.240 nan 0.000 0.549 343 I N -0.955 119.568 120.570 -0.079 0.000 2.822 343 I HA 0.670 4.865 4.170 0.042 0.000 0.312 343 I C -2.894 173.129 176.117 -0.156 0.000 1.011 343 I CA -3.778 57.448 61.300 -0.124 0.000 1.105 343 I CB 1.219 39.140 38.000 -0.131 0.000 1.291 343 I HN 0.318 nan 8.210 nan 0.000 0.474 344 P HA 0.045 nan 4.420 nan 0.000 0.264 344 P C -1.270 175.918 177.300 -0.187 0.000 1.193 344 P CA 0.680 63.497 63.100 -0.473 0.000 0.763 344 P CB -0.206 31.236 31.700 -0.430 0.000 0.810 345 Y N -0.461 119.759 120.300 -0.134 0.000 3.825 345 Y HA -0.271 4.305 4.550 0.042 0.000 0.221 345 Y C 0.826 176.726 175.900 -0.000 0.000 1.195 345 Y CA 0.315 58.416 58.100 0.001 0.000 1.699 345 Y CB -2.441 36.023 38.460 0.006 0.000 1.531 345 Y HN 0.402 nan 8.280 nan 0.000 0.640 346 D N 2.191 122.617 120.400 0.045 0.000 2.487 346 D HA 0.003 4.668 4.640 0.042 0.000 0.243 346 D C -0.722 175.611 176.300 0.054 0.000 1.154 346 D CA -0.760 53.260 54.000 0.033 0.000 0.876 346 D CB 1.061 41.859 40.800 -0.004 0.000 1.161 346 D HN 0.194 nan 8.370 nan 0.000 0.478 347 P HA -0.010 nan 4.420 nan 0.000 0.233 347 P C 0.002 177.329 177.300 0.044 0.000 1.167 347 P CA 0.526 63.658 63.100 0.054 0.000 0.770 347 P CB 0.629 32.359 31.700 0.049 0.000 0.837 348 E N 0.504 120.727 120.200 0.037 0.000 2.250 348 E HA 0.236 4.611 4.350 0.042 0.000 0.269 348 E C 0.406 177.032 176.600 0.042 0.000 1.018 348 E CA -0.467 55.956 56.400 0.039 0.000 0.873 348 E CB 1.276 30.996 29.700 0.034 0.000 1.134 348 E HN 0.045 nan 8.360 nan 0.000 0.403 349 S N 1.121 116.861 115.700 0.066 0.000 2.576 349 S HA 0.081 4.576 4.470 0.042 0.000 0.272 349 S C -1.726 172.909 174.600 0.057 0.000 1.352 349 S CA -0.922 57.335 58.200 0.096 0.000 1.021 349 S CB 0.611 63.918 63.200 0.178 0.000 0.887 349 S HN 0.177 nan 8.310 nan 0.000 0.542 350 P HA -0.010 nan 4.420 nan 0.000 0.223 350 P C 0.505 177.619 177.300 -0.310 0.000 1.144 350 P CA 1.125 64.099 63.100 -0.210 0.000 0.783 350 P CB -0.196 31.281 31.700 -0.372 0.000 0.771 351 F N -2.144 117.796 119.950 -0.016 0.000 2.776 351 F HA 0.045 4.597 4.527 0.042 0.000 0.300 351 F C 1.966 177.761 175.800 -0.009 0.000 1.116 351 F CA 0.347 58.339 58.000 -0.013 0.000 1.375 351 F CB -0.181 38.812 39.000 -0.012 0.000 1.109 351 F HN -0.253 nan 8.300 nan 0.000 0.585 352 V N -1.994 117.998 119.914 0.130 0.000 3.054 352 V HA 0.159 4.304 4.120 0.042 0.000 0.227 352 V C 0.576 176.691 176.094 0.035 0.000 1.252 352 V CA 0.854 63.202 62.300 0.079 0.000 1.279 352 V CB 0.060 31.929 31.823 0.077 0.000 1.118 352 V HN 0.358 nan 8.190 nan 0.000 0.504 353 T N -0.696 113.872 114.554 0.022 0.000 0.541 353 T HA -0.222 4.153 4.350 0.042 0.000 0.774 353 T C 0.157 174.859 174.700 0.003 0.000 0.992 353 T CA 0.398 62.496 62.100 -0.003 0.000 4.077 353 T CB -1.443 67.408 68.868 -0.028 0.000 2.303 353 T HN 0.364 nan 8.240 nan 0.000 0.398 354 S N 1.097 116.794 115.700 -0.005 0.000 2.593 354 S HA 0.585 5.080 4.470 0.042 0.000 0.236 354 S C 0.776 175.370 174.600 -0.011 0.000 0.991 354 S CA -0.040 58.161 58.200 0.001 0.000 0.963 354 S CB 0.615 63.819 63.200 0.007 0.000 0.865 354 S HN 1.236 nan 8.310 nan 0.000 0.488 355 G N 1.527 110.311 108.800 -0.027 0.000 2.694 355 G HA2 0.720 4.705 3.960 0.042 0.000 0.290 355 G HA3 0.720 4.705 3.960 0.042 0.000 0.290 355 G C -1.223 173.647 174.900 -0.050 0.000 1.386 355 G CA -0.911 44.163 45.100 -0.043 0.000 0.872 355 G HN 0.310 nan 8.290 nan 0.000 0.475 356 I N -1.885 118.643 120.570 -0.069 0.000 2.569 356 I HA 0.759 4.954 4.170 0.042 0.000 0.296 356 I C -0.333 175.735 176.117 -0.081 0.000 1.028 356 I CA -1.204 60.052 61.300 -0.073 0.000 1.082 356 I CB 2.434 40.384 38.000 -0.083 0.000 1.264 356 I HN 0.439 nan 8.210 nan 0.000 0.429 357 R N 5.747 126.206 120.500 -0.068 0.000 2.368 357 R HA 0.762 5.127 4.340 0.042 0.000 0.302 357 R C -1.515 174.747 176.300 -0.063 0.000 1.002 357 R CA -0.563 55.495 56.100 -0.071 0.000 0.929 357 R CB 1.322 31.584 30.300 -0.062 0.000 1.073 357 R HN 0.815 nan 8.270 nan 0.000 0.464 358 I N 2.563 123.089 120.570 -0.074 0.000 2.569 358 I HA 0.441 4.637 4.170 0.042 0.000 0.290 358 I C -0.078 176.002 176.117 -0.060 0.000 1.088 358 I CA -0.771 60.494 61.300 -0.058 0.000 1.047 358 I CB 2.471 40.430 38.000 -0.069 0.000 1.237 358 I HN 0.773 nan 8.210 nan 0.000 0.421 359 G N 1.464 110.250 108.800 -0.024 0.000 2.574 359 G HA2 0.512 4.497 3.960 0.042 0.000 0.299 359 G HA3 0.512 4.497 3.960 0.042 0.000 0.299 359 G C 0.126 175.045 174.900 0.032 0.000 1.298 359 G CA -0.273 44.825 45.100 -0.003 0.000 0.952 359 G HN 0.587 nan 8.290 nan 0.000 0.477 360 T N -2.148 112.440 114.554 0.056 0.000 3.054 360 T HA 0.358 4.733 4.350 0.042 0.000 0.255 360 T C 2.200 176.940 174.700 0.066 0.000 1.035 360 T CA 1.227 63.358 62.100 0.053 0.000 0.941 360 T CB 0.616 69.512 68.868 0.046 0.000 1.026 360 T HN 0.738 nan 8.240 nan 0.000 0.533 361 A N 2.049 124.927 122.820 0.097 0.000 1.892 361 A HA 0.203 4.548 4.320 0.042 0.000 0.218 361 A C 2.717 180.398 177.584 0.162 0.000 1.188 361 A CA 1.967 54.079 52.037 0.125 0.000 0.631 361 A CB -1.415 17.663 19.000 0.130 0.000 0.822 361 A HN 0.728 nan 8.150 nan 0.000 0.447 362 A N -0.098 122.749 122.820 0.044 0.000 1.845 362 A HA -0.019 4.326 4.320 0.042 0.000 0.215 362 A C 2.373 180.039 177.584 0.136 0.000 1.195 362 A CA 2.600 54.627 52.037 -0.017 0.000 0.616 362 A CB -1.452 17.391 19.000 -0.262 0.000 0.832 362 A HN 1.192 nan 8.150 nan 0.000 0.443 363 V N -2.109 117.795 119.914 -0.017 0.000 2.392 363 V HA -0.226 3.919 4.120 0.042 0.000 0.249 363 V C 2.185 178.232 176.094 -0.079 0.000 1.059 363 V CA 2.801 64.933 62.300 -0.280 0.000 1.051 363 V CB -2.040 29.540 31.823 -0.405 0.000 0.658 363 V HN 0.455 nan 8.190 nan 0.000 0.455 364 T N 0.381 115.001 114.554 0.111 0.000 2.746 364 T HA -0.170 4.205 4.350 0.042 0.000 0.267 364 T C 1.953 176.851 174.700 0.331 0.000 1.039 364 T CA 2.277 64.512 62.100 0.225 0.000 1.142 364 T CB -0.700 68.260 68.868 0.154 0.000 0.866 364 T HN 0.658 nan 8.240 nan 0.000 0.444 365 T N 2.419 117.194 114.554 0.368 0.000 2.759 365 T HA -0.136 4.239 4.350 0.042 0.000 0.269 365 T C 1.893 176.669 174.700 0.126 0.000 1.042 365 T CA 1.243 63.455 62.100 0.186 0.000 1.140 365 T CB -0.238 68.728 68.868 0.163 0.000 0.864 365 T HN 0.590 nan 8.240 nan 0.000 0.455 366 R N 1.042 121.604 120.500 0.105 0.000 2.319 366 R HA 0.309 4.675 4.340 0.042 0.000 0.204 366 R C 1.444 177.830 176.300 0.143 0.000 0.954 366 R CA 0.693 56.808 56.100 0.025 0.000 1.066 366 R CB -0.149 30.067 30.300 -0.141 0.000 0.991 366 R HN 0.367 nan 8.270 nan 0.000 0.486 367 G N 0.497 109.418 108.800 0.202 0.000 2.159 367 G HA2 -0.247 3.739 3.960 0.042 0.000 0.227 367 G HA3 -0.247 3.739 3.960 0.042 0.000 0.227 367 G C -0.030 175.078 174.900 0.347 0.000 0.986 367 G CA -0.458 44.784 45.100 0.237 0.000 0.651 367 G HN 0.322 nan 8.290 nan 0.000 0.523 368 F N 0.949 120.941 119.950 0.069 0.000 2.518 368 F HA 0.431 4.984 4.527 0.044 0.000 0.359 368 F C 1.482 177.311 175.800 0.050 0.000 1.118 368 F CA 0.302 58.334 58.000 0.053 0.000 1.287 368 F CB 0.966 40.000 39.000 0.056 0.000 1.132 368 F HN 0.233 nan 8.300 nan 0.000 0.587 369 G N 2.031 110.927 108.800 0.160 0.000 3.251 369 G HA2 0.426 4.411 3.960 0.042 0.000 0.248 369 G HA3 0.426 4.411 3.960 0.042 0.000 0.248 369 G C 0.445 175.381 174.900 0.061 0.000 1.320 369 G CA -0.860 44.296 45.100 0.093 0.000 0.982 369 G HN 0.580 nan 8.290 nan 0.000 0.575 370 L N -0.131 121.114 121.223 0.037 0.000 2.042 370 L HA -0.075 4.290 4.340 0.042 0.000 0.210 370 L C 2.753 179.629 176.870 0.011 0.000 1.076 370 L CA 1.140 55.996 54.840 0.026 0.000 0.749 370 L CB -0.277 41.793 42.059 0.018 0.000 0.893 370 L HN 0.374 nan 8.230 nan 0.000 0.432 371 E N 0.331 120.525 120.200 -0.009 0.000 2.110 371 E HA -0.200 4.175 4.350 0.042 0.000 0.193 371 E C 2.125 178.694 176.600 -0.052 0.000 0.988 371 E CA 1.108 57.491 56.400 -0.029 0.000 0.804 371 E CB -0.120 29.555 29.700 -0.041 0.000 0.745 371 E HN 0.483 nan 8.360 nan 0.000 0.458 372 E N 0.038 120.186 120.200 -0.086 0.000 2.106 372 E HA -0.094 4.281 4.350 0.042 0.000 0.192 372 E C 1.926 178.522 176.600 -0.006 0.000 0.984 372 E CA 0.683 56.991 56.400 -0.154 0.000 0.806 372 E CB -0.134 29.320 29.700 -0.409 0.000 0.750 372 E HN 0.119 nan 8.360 nan 0.000 0.458 373 M N 0.841 120.469 119.600 0.048 0.000 2.065 373 M HA -0.151 4.354 4.480 0.042 0.000 0.259 373 M C 1.405 177.734 176.300 0.048 0.000 1.069 373 M CA 1.482 56.825 55.300 0.072 0.000 1.110 373 M CB -1.020 31.619 32.600 0.065 0.000 1.328 373 M HN 0.039 nan 8.290 nan 0.000 0.405 374 D N 0.081 120.498 120.400 0.028 0.000 2.133 374 D HA -0.203 4.462 4.640 0.042 0.000 0.195 374 D C 1.999 178.315 176.300 0.026 0.000 0.997 374 D CA 1.516 55.532 54.000 0.026 0.000 0.840 374 D CB -0.274 40.533 40.800 0.013 0.000 0.947 374 D HN 0.396 nan 8.370 nan 0.000 0.452 375 E N 0.527 120.733 120.200 0.009 0.000 2.072 375 E HA -0.078 4.297 4.350 0.042 0.000 0.191 375 E C 2.151 178.770 176.600 0.032 0.000 0.985 375 E CA 0.596 57.000 56.400 0.006 0.000 0.801 375 E CB -0.373 29.308 29.700 -0.032 0.000 0.750 375 E HN 0.290 nan 8.360 nan 0.000 0.452 376 I N 0.545 121.145 120.570 0.050 0.000 2.163 376 I HA -0.313 3.882 4.170 0.042 0.000 0.243 376 I C 2.388 178.544 176.117 0.064 0.000 1.085 376 I CA 1.251 62.596 61.300 0.076 0.000 1.347 376 I CB -0.454 37.614 38.000 0.114 0.000 1.044 376 I HN 0.219 nan 8.210 nan 0.000 0.408 377 A N 0.607 123.466 122.820 0.066 0.000 1.902 377 A HA -0.180 4.165 4.320 0.042 0.000 0.217 377 A C 2.520 180.175 177.584 0.118 0.000 1.181 377 A CA 1.925 54.014 52.037 0.087 0.000 0.623 377 A CB -0.830 18.224 19.000 0.090 0.000 0.818 377 A HN 0.454 nan 8.150 nan 0.000 0.443 378 A N -0.251 122.619 122.820 0.084 0.000 1.930 378 A HA -0.024 4.322 4.320 0.042 0.000 0.217 378 A C 2.100 179.732 177.584 0.079 0.000 1.175 378 A CA 1.444 53.526 52.037 0.075 0.000 0.627 378 A CB -0.543 18.484 19.000 0.045 0.000 0.815 378 A HN 0.498 nan 8.150 nan 0.000 0.443 379 I N -0.372 120.239 120.570 0.068 0.000 2.202 379 I HA -0.229 3.966 4.170 0.042 0.000 0.242 379 I C 2.270 178.436 176.117 0.081 0.000 1.091 379 I CA 1.176 62.514 61.300 0.064 0.000 1.368 379 I CB -0.336 37.695 38.000 0.052 0.000 1.058 379 I HN 0.279 nan 8.210 nan 0.000 0.410 380 I N 0.858 121.478 120.570 0.084 0.000 2.151 380 I HA -0.278 3.917 4.170 0.042 0.000 0.243 380 I C 2.697 178.949 176.117 0.225 0.000 1.080 380 I CA 1.836 63.185 61.300 0.082 0.000 1.339 380 I CB -1.018 36.964 38.000 -0.031 0.000 1.039 380 I HN 0.302 nan 8.210 nan 0.000 0.409 381 G N 1.029 110.034 108.800 0.341 0.000 2.446 381 G HA2 -0.296 3.689 3.960 0.042 0.000 0.217 381 G HA3 -0.296 3.689 3.960 0.042 0.000 0.217 381 G C 1.648 176.643 174.900 0.159 0.000 1.168 381 G CA 0.965 46.265 45.100 0.334 0.000 0.771 381 G HN 0.294 nan 8.290 nan 0.000 0.551 382 L N 0.732 122.020 121.223 0.108 0.000 1.990 382 L HA -0.118 4.247 4.340 0.042 0.000 0.213 382 L C 2.919 179.832 176.870 0.072 0.000 1.072 382 L CA 1.854 56.735 54.840 0.068 0.000 0.755 382 L CB -0.679 41.411 42.059 0.052 0.000 0.889 382 L HN 0.104 nan 8.230 nan 0.000 0.432 383 V N -0.303 119.662 119.914 0.084 0.000 2.244 383 V HA -0.290 3.855 4.120 0.042 0.000 0.244 383 V C 2.503 178.650 176.094 0.089 0.000 1.042 383 V CA 2.116 64.460 62.300 0.072 0.000 1.006 383 V CB -0.574 31.285 31.823 0.061 0.000 0.641 383 V HN 0.470 nan 8.190 nan 0.000 0.446 384 L N -0.475 120.833 121.223 0.142 0.000 2.275 384 L HA -0.105 4.260 4.340 0.042 0.000 0.215 384 L C 2.164 179.115 176.870 0.134 0.000 1.119 384 L CA 1.303 56.243 54.840 0.167 0.000 0.790 384 L CB -0.546 41.681 42.059 0.279 0.000 0.919 384 L HN 0.330 nan 8.230 nan 0.000 0.443 385 K N 0.275 120.736 120.400 0.102 0.000 2.404 385 K HA 0.079 4.424 4.320 0.042 0.000 0.194 385 K C -0.148 176.471 176.600 0.031 0.000 1.023 385 K CA 0.219 56.530 56.287 0.039 0.000 1.094 385 K CB 0.164 32.657 32.500 -0.010 0.000 0.841 385 K HN 0.315 nan 8.250 nan 0.000 0.523 386 N N -0.166 118.559 118.700 0.042 0.000 2.636 386 N HA 0.035 4.800 4.740 0.042 0.000 0.287 386 N C 0.214 175.743 175.510 0.033 0.000 1.817 386 N CA -0.079 52.989 53.050 0.031 0.000 0.842 386 N CB 1.342 39.844 38.487 0.026 0.000 1.353 386 N HN -0.209 nan 8.380 nan 0.000 0.500 387 V N -0.520 119.416 119.914 0.036 0.000 2.720 387 V HA -0.081 4.064 4.120 0.042 0.000 0.256 387 V C 2.008 178.118 176.094 0.026 0.000 1.082 387 V CA 2.142 64.462 62.300 0.034 0.000 1.101 387 V CB -0.338 31.507 31.823 0.037 0.000 0.693 387 V HN 0.620 nan 8.190 nan 0.000 0.479 388 G N -1.137 107.676 108.800 0.023 0.000 3.189 388 G HA2 0.081 4.066 3.960 0.042 0.000 0.225 388 G HA3 0.081 4.066 3.960 0.042 0.000 0.225 388 G C 0.559 175.468 174.900 0.016 0.000 1.159 388 G CA 0.571 45.682 45.100 0.018 0.000 0.763 388 G HN 0.417 nan 8.290 nan 0.000 0.549 389 S N 0.403 116.114 115.700 0.018 0.000 2.532 389 S HA 0.320 4.815 4.470 0.042 0.000 0.318 389 S C 1.016 175.626 174.600 0.017 0.000 1.083 389 S CA -0.569 57.640 58.200 0.016 0.000 1.131 389 S CB 0.822 64.032 63.200 0.016 0.000 0.973 389 S HN 0.148 nan 8.310 nan 0.000 0.468 390 E N 3.257 123.466 120.200 0.015 0.000 2.204 390 E HA -0.188 4.187 4.350 0.042 0.000 0.195 390 E C 2.142 178.750 176.600 0.015 0.000 0.990 390 E CA 1.108 57.517 56.400 0.015 0.000 0.821 390 E CB -0.038 29.670 29.700 0.013 0.000 0.750 390 E HN 0.960 nan 8.360 nan 0.000 0.477 391 Q N 0.252 120.060 119.800 0.014 0.000 2.079 391 Q HA -0.042 4.323 4.340 0.042 0.000 0.200 391 Q C 2.148 178.157 176.000 0.015 0.000 0.974 391 Q CA 1.546 57.357 55.803 0.013 0.000 0.840 391 Q CB -0.405 28.339 28.738 0.011 0.000 0.898 391 Q HN 0.120 nan 8.270 nan 0.000 0.430 392 A N 2.057 124.887 122.820 0.017 0.000 1.908 392 A HA -0.118 4.227 4.320 0.042 0.000 0.218 392 A C 2.311 179.909 177.584 0.023 0.000 1.181 392 A CA 1.471 53.520 52.037 0.021 0.000 0.627 392 A CB -0.788 18.226 19.000 0.023 0.000 0.818 392 A HN 0.386 nan 8.150 nan 0.000 0.445 393 L N -0.990 120.247 121.223 0.023 0.000 2.083 393 L HA -0.186 4.179 4.340 0.042 0.000 0.209 393 L C 2.649 179.533 176.870 0.022 0.000 1.083 393 L CA 1.711 56.565 54.840 0.024 0.000 0.752 393 L CB -0.546 41.527 42.059 0.023 0.000 0.899 393 L HN 0.463 nan 8.230 nan 0.000 0.433 394 E N 0.770 120.982 120.200 0.019 0.000 2.072 394 E HA -0.263 4.112 4.350 0.042 0.000 0.191 394 E C 2.015 178.626 176.600 0.018 0.000 0.985 394 E CA 1.490 57.901 56.400 0.017 0.000 0.801 394 E CB -0.015 29.694 29.700 0.015 0.000 0.750 394 E HN 0.440 nan 8.360 nan 0.000 0.452 395 E N -0.288 119.923 120.200 0.018 0.000 2.051 395 E HA -0.216 4.159 4.350 0.042 0.000 0.192 395 E C 1.978 178.591 176.600 0.021 0.000 0.991 395 E CA 1.124 57.534 56.400 0.017 0.000 0.799 395 E CB -0.288 29.422 29.700 0.016 0.000 0.748 395 E HN 0.300 nan 8.360 nan 0.000 0.449 396 A N 1.726 124.561 122.820 0.025 0.000 1.873 396 A HA -0.273 4.072 4.320 0.042 0.000 0.218 396 A C 2.263 179.864 177.584 0.028 0.000 1.193 396 A CA 1.959 54.014 52.037 0.029 0.000 0.629 396 A CB -0.791 18.229 19.000 0.034 0.000 0.826 396 A HN 0.296 nan 8.150 nan 0.000 0.447 397 R N -0.647 119.868 120.500 0.026 0.000 2.096 397 R HA -0.229 4.137 4.340 0.042 0.000 0.240 397 R C 2.454 178.768 176.300 0.024 0.000 1.139 397 R CA 2.154 58.269 56.100 0.025 0.000 0.952 397 R CB -0.296 30.017 30.300 0.022 0.000 0.854 397 R HN 0.747 nan 8.270 nan 0.000 0.436 398 Q N -0.774 119.038 119.800 0.020 0.000 2.123 398 Q HA -0.116 4.249 4.340 0.042 0.000 0.199 398 Q C 2.154 178.164 176.000 0.016 0.000 0.966 398 Q CA 1.275 57.089 55.803 0.018 0.000 0.845 398 Q CB 0.079 28.825 28.738 0.015 0.000 0.907 398 Q HN 0.323 nan 8.270 nan 0.000 0.439 399 R N -0.249 120.262 120.500 0.017 0.000 2.115 399 R HA -0.060 4.305 4.340 0.042 0.000 0.226 399 R C 2.251 178.562 176.300 0.019 0.000 1.100 399 R CA 0.881 56.989 56.100 0.013 0.000 0.980 399 R CB -0.114 30.195 30.300 0.015 0.000 0.875 399 R HN 0.063 nan 8.270 nan 0.000 0.445 400 V N 0.999 120.931 119.914 0.031 0.000 2.307 400 V HA -0.220 3.925 4.120 0.042 0.000 0.245 400 V C 2.436 178.554 176.094 0.041 0.000 1.045 400 V CA 1.934 64.262 62.300 0.046 0.000 1.024 400 V CB -0.708 31.144 31.823 0.048 0.000 0.651 400 V HN 0.390 nan 8.190 nan 0.000 0.449 401 A N 0.231 123.068 122.820 0.030 0.000 1.917 401 A HA -0.235 4.111 4.320 0.042 0.000 0.219 401 A C 2.421 180.017 177.584 0.021 0.000 1.182 401 A CA 2.433 54.486 52.037 0.026 0.000 0.633 401 A CB -0.874 18.142 19.000 0.026 0.000 0.819 401 A HN 0.609 nan 8.150 nan 0.000 0.448 402 A N -0.666 122.160 122.820 0.011 0.000 1.933 402 A HA -0.015 4.330 4.320 0.042 0.000 0.218 402 A C 2.167 179.737 177.584 -0.023 0.000 1.175 402 A CA 1.503 53.537 52.037 -0.004 0.000 0.628 402 A CB -0.518 18.475 19.000 -0.011 0.000 0.814 402 A HN 0.487 nan 8.150 nan 0.000 0.444 403 L N -0.413 120.796 121.223 -0.024 0.000 2.109 403 L HA -0.116 4.249 4.340 0.042 0.000 0.207 403 L C 2.784 179.674 176.870 0.034 0.000 1.086 403 L CA 1.760 56.557 54.840 -0.072 0.000 0.760 403 L CB -0.429 41.606 42.059 -0.040 0.000 0.910 403 L HN 0.630 nan 8.230 nan 0.000 0.437 404 T N -4.513 110.082 114.554 0.069 0.000 3.065 404 T HA 0.062 4.437 4.350 0.042 0.000 0.252 404 T C 0.488 175.151 174.700 -0.062 0.000 1.099 404 T CA 0.125 62.227 62.100 0.002 0.000 1.063 404 T CB 0.097 68.905 68.868 -0.100 0.000 0.948 404 T HN 0.459 nan 8.240 nan 0.000 0.506 405 D N 0.000 120.415 120.400 0.024 0.000 6.856 405 D HA 0.000 4.665 4.640 0.042 0.000 0.175 405 D CA 0.000 54.045 54.000 0.075 0.000 0.868 405 D CB 0.000 40.864 40.800 0.107 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683