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 2oga_1_B DATA FIRST_RESID 7 DATA SEQUENCE TPRVPFLDLK AAYEELRAET DAAIARVLDS GRYLLGPELE GFEAEFAAYC DATA SEQUENCE ETDHAVGVNS GMDALQLALR GLGIGPGDEV IVPSHTYIAS WLAVSATGAT DATA SEQUENCE PVPVEPHEDH PTLDPLLVEK AITPRTRALL PVHLYGHPAD MDALRELADR DATA SEQUENCE HGLHIVEDAA QAHGARYRGR RIGAGSSVAA FSFYPGKNLG CFGDGGAVVT DATA SEQUENCE GDPELAERLR MLRNYGSRQK YSHETKGTNS RLDEMQAAVL RIRLAHLDSW DATA SEQUENCE NGRRSALAAE YLSGLAGLPG IGLPVTAPDT DPVWHLFTVR TERRDELRSH DATA SEQUENCE LDARGIDTLT HYPVPVHLSP AYAGEAPPEG SLPRAESFAR QVLSLPIGPH DATA SEQUENCE LERPQALRVI DAVREWAERV 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.698 174.700 -0.004 0.000 1.109 7 T CA 0.000 62.097 62.100 -0.005 0.000 1.349 7 T CB 0.000 68.865 68.868 -0.004 0.000 0.612 8 P HA 0.546 nan 4.420 nan 0.000 0.271 8 P C -0.627 176.673 177.300 -0.000 0.000 1.218 8 P CA -0.268 62.831 63.100 -0.002 0.000 0.780 8 P CB 0.532 32.230 31.700 -0.003 0.000 0.901 9 R N 0.281 120.783 120.500 0.004 0.000 2.637 9 R HA 0.391 4.731 4.340 0.000 0.000 0.269 9 R C -0.453 175.855 176.300 0.014 0.000 1.089 9 R CA -0.964 55.141 56.100 0.008 0.000 1.177 9 R CB 0.253 30.561 30.300 0.014 0.000 1.091 9 R HN 0.213 nan 8.270 nan 0.000 0.540 10 V N 4.050 123.976 119.914 0.020 0.000 2.389 10 V HA 0.153 4.273 4.120 0.000 0.000 0.264 10 V C -1.748 174.376 176.094 0.051 0.000 1.049 10 V CA -1.604 60.711 62.300 0.025 0.000 0.932 10 V CB 0.597 32.437 31.823 0.029 0.000 1.011 10 V HN 0.683 nan 8.190 nan 0.000 0.475 11 P HA 0.125 nan 4.420 nan 0.000 0.278 11 P C 0.571 177.932 177.300 0.102 0.000 1.238 11 P CA -0.358 62.788 63.100 0.078 0.000 0.794 11 P CB 1.036 32.766 31.700 0.050 0.000 0.955 12 F N 3.223 123.189 119.950 0.026 0.000 2.134 12 F HA 0.032 4.559 4.527 -0.000 0.000 0.299 12 F C 0.677 176.500 175.800 0.037 0.000 1.097 12 F CA 1.441 59.462 58.000 0.034 0.000 1.264 12 F CB 0.117 39.142 39.000 0.043 0.000 1.001 12 F HN 0.217 nan 8.300 nan 0.000 0.479 13 L N 0.631 121.875 121.223 0.036 0.000 2.849 13 L HA 0.242 4.582 4.340 0.000 0.000 0.256 13 L C -1.619 175.286 176.870 0.058 0.000 0.951 13 L CA -0.556 54.270 54.840 -0.022 0.000 1.003 13 L CB 0.638 42.700 42.059 0.005 0.000 1.408 13 L HN -0.178 nan 8.230 nan 0.000 0.463 14 D N 4.787 125.205 120.400 0.029 0.000 2.402 14 D HA 0.224 4.864 4.640 0.000 0.000 0.235 14 D C 1.144 177.471 176.300 0.045 0.000 1.226 14 D CA 0.064 54.085 54.000 0.035 0.000 0.918 14 D CB 0.775 41.578 40.800 0.004 0.000 1.043 14 D HN 0.652 nan 8.370 nan 0.000 0.506 15 L N 3.328 124.592 121.223 0.069 0.000 2.005 15 L HA -0.172 4.168 4.340 0.000 0.000 0.207 15 L C 2.328 179.264 176.870 0.110 0.000 1.072 15 L CA 0.898 55.793 54.840 0.092 0.000 0.744 15 L CB -0.456 41.659 42.059 0.093 0.000 0.895 15 L HN 0.302 nan 8.230 nan 0.000 0.433 16 K N 1.092 121.552 120.400 0.099 0.000 2.127 16 K HA -0.207 4.113 4.320 0.000 0.000 0.208 16 K C 1.955 178.574 176.600 0.030 0.000 1.047 16 K CA 1.716 58.078 56.287 0.124 0.000 0.927 16 K CB -0.384 32.169 32.500 0.087 0.000 0.716 16 K HN 0.264 nan 8.250 nan 0.000 0.450 17 A N 0.139 122.889 122.820 -0.117 0.000 2.019 17 A HA -0.016 4.304 4.320 0.000 0.000 0.219 17 A C 2.303 179.499 177.584 -0.647 0.000 1.164 17 A CA 1.825 53.614 52.037 -0.414 0.000 0.644 17 A CB -0.822 17.885 19.000 -0.488 0.000 0.805 17 A HN 0.471 nan 8.150 nan 0.000 0.449 18 A N -1.580 121.099 122.820 -0.235 0.000 1.970 18 A HA 0.036 4.356 4.320 0.000 0.000 0.216 18 A C 2.079 179.839 177.584 0.293 0.000 1.170 18 A CA 1.445 53.537 52.037 0.093 0.000 0.645 18 A CB -0.614 18.564 19.000 0.297 0.000 0.816 18 A HN 0.729 nan 8.150 nan 0.000 0.447 19 Y N 0.733 121.120 120.300 0.145 0.000 2.286 19 Y HA -0.029 4.521 4.550 0.000 0.000 0.293 19 Y C 2.110 178.057 175.900 0.078 0.000 1.124 19 Y CA 1.773 60.001 58.100 0.213 0.000 1.178 19 Y CB -0.489 38.115 38.460 0.240 0.000 1.010 19 Y HN 0.347 nan 8.280 nan 0.000 0.536 20 E N 1.051 121.112 120.200 -0.232 0.000 2.021 20 E HA -0.277 4.073 4.350 0.000 0.000 0.200 20 E C 2.263 178.716 176.600 -0.245 0.000 1.015 20 E CA 2.036 58.221 56.400 -0.358 0.000 0.824 20 E CB -0.578 28.974 29.700 -0.246 0.000 0.762 20 E HN 0.636 nan 8.360 nan 0.000 0.454 21 E N -0.514 119.594 120.200 -0.153 0.000 2.169 21 E HA -0.204 4.146 4.350 0.000 0.000 0.202 21 E C 0.903 177.512 176.600 0.015 0.000 1.016 21 E CA 1.559 57.957 56.400 -0.005 0.000 0.817 21 E CB -0.096 29.723 29.700 0.198 0.000 0.736 21 E HN 0.329 nan 8.360 nan 0.000 0.462 22 L N 0.258 121.485 121.223 0.007 0.000 3.110 22 L HA 0.298 4.638 4.340 0.000 0.000 0.266 22 L C 1.710 178.562 176.870 -0.030 0.000 1.257 22 L CA -0.401 54.423 54.840 -0.026 0.000 1.038 22 L CB 0.185 42.204 42.059 -0.066 0.000 1.395 22 L HN 0.036 nan 8.230 nan 0.000 0.566 23 R N 1.760 122.155 120.500 -0.175 0.000 2.136 23 R HA -0.286 4.054 4.340 0.000 0.000 0.242 23 R C 2.212 178.486 176.300 -0.044 0.000 1.131 23 R CA 2.406 58.331 56.100 -0.291 0.000 0.937 23 R CB -0.156 29.844 30.300 -0.499 0.000 0.863 23 R HN 0.429 nan 8.270 nan 0.000 0.435 24 A N 0.551 123.347 122.820 -0.039 0.000 1.865 24 A HA -0.214 4.106 4.320 0.000 0.000 0.217 24 A C 2.045 179.649 177.584 0.032 0.000 1.191 24 A CA 1.859 53.899 52.037 0.004 0.000 0.623 24 A CB -0.641 18.357 19.000 -0.003 0.000 0.826 24 A HN 0.603 nan 8.150 nan 0.000 0.444 25 E N -0.997 119.221 120.200 0.029 0.000 2.085 25 E HA -0.133 4.217 4.350 0.000 0.000 0.194 25 E C 2.148 178.785 176.600 0.062 0.000 0.994 25 E CA 1.730 58.153 56.400 0.037 0.000 0.801 25 E CB -0.209 29.506 29.700 0.024 0.000 0.743 25 E HN 0.640 nan 8.360 nan 0.000 0.453 26 T N 0.992 115.610 114.554 0.106 0.000 2.674 26 T HA -0.164 4.186 4.350 0.000 0.000 0.265 26 T C 1.232 176.015 174.700 0.139 0.000 1.039 26 T CA 1.502 63.709 62.100 0.178 0.000 1.150 26 T CB -0.385 68.705 68.868 0.370 0.000 0.864 26 T HN 0.137 nan 8.240 nan 0.000 0.427 27 D N 1.361 121.850 120.400 0.149 0.000 2.133 27 D HA -0.066 4.574 4.640 0.000 0.000 0.195 27 D C 2.332 178.661 176.300 0.050 0.000 0.997 27 D CA 1.368 55.421 54.000 0.089 0.000 0.840 27 D CB -0.539 40.319 40.800 0.095 0.000 0.947 27 D HN 0.416 nan 8.370 nan 0.000 0.452 28 A N 0.928 123.777 122.820 0.049 0.000 1.933 28 A HA -0.021 4.299 4.320 0.000 0.000 0.218 28 A C 2.321 179.926 177.584 0.034 0.000 1.175 28 A CA 2.170 54.228 52.037 0.035 0.000 0.628 28 A CB -0.685 18.333 19.000 0.030 0.000 0.814 28 A HN 0.238 nan 8.150 nan 0.000 0.444 29 A N 0.102 122.946 122.820 0.041 0.000 1.902 29 A HA -0.102 4.218 4.320 0.000 0.000 0.217 29 A C 2.117 179.723 177.584 0.036 0.000 1.181 29 A CA 1.587 53.646 52.037 0.036 0.000 0.623 29 A CB -0.612 18.409 19.000 0.036 0.000 0.818 29 A HN 0.509 nan 8.150 nan 0.000 0.443 30 I N -0.334 120.257 120.570 0.035 0.000 2.252 30 I HA -0.248 3.922 4.170 0.000 0.000 0.245 30 I C 2.970 179.103 176.117 0.027 0.000 1.102 30 I CA 0.972 62.286 61.300 0.022 0.000 1.385 30 I CB -0.425 37.566 38.000 -0.015 0.000 1.064 30 I HN 0.353 nan 8.210 nan 0.000 0.414 31 A N 1.011 123.845 122.820 0.023 0.000 1.908 31 A HA -0.267 4.053 4.320 0.000 0.000 0.218 31 A C 2.449 180.056 177.584 0.039 0.000 1.181 31 A CA 1.957 54.009 52.037 0.025 0.000 0.627 31 A CB -0.704 18.308 19.000 0.020 0.000 0.818 31 A HN 0.385 nan 8.150 nan 0.000 0.445 32 R N -0.446 120.077 120.500 0.037 0.000 2.083 32 R HA -0.110 4.230 4.340 0.000 0.000 0.237 32 R C 1.928 178.259 176.300 0.052 0.000 1.137 32 R CA 1.960 58.082 56.100 0.036 0.000 0.951 32 R CB -0.485 29.832 30.300 0.028 0.000 0.851 32 R HN 0.280 nan 8.270 nan 0.000 0.434 33 V N 1.402 121.359 119.914 0.071 0.000 2.295 33 V HA -0.245 3.875 4.120 0.000 0.000 0.246 33 V C 2.443 178.673 176.094 0.227 0.000 1.049 33 V CA 1.763 64.133 62.300 0.118 0.000 1.024 33 V CB -0.429 31.471 31.823 0.129 0.000 0.648 33 V HN 0.345 nan 8.190 nan 0.000 0.447 34 L N -0.164 121.171 121.223 0.187 0.000 2.013 34 L HA -0.248 4.092 4.340 0.000 0.000 0.212 34 L C 2.315 179.316 176.870 0.219 0.000 1.073 34 L CA 1.824 56.791 54.840 0.211 0.000 0.753 34 L CB -0.644 41.457 42.059 0.071 0.000 0.890 34 L HN 0.354 nan 8.230 nan 0.000 0.432 35 D N -1.029 119.441 120.400 0.117 0.000 2.269 35 D HA -0.104 4.536 4.640 0.000 0.000 0.208 35 D C 2.357 178.683 176.300 0.043 0.000 0.963 35 D CA 1.308 55.354 54.000 0.076 0.000 0.864 35 D CB 0.066 40.892 40.800 0.043 0.000 0.936 35 D HN 0.355 nan 8.370 nan 0.000 0.505 36 S N -0.386 115.324 115.700 0.016 0.000 2.399 36 S HA -0.039 4.431 4.470 0.000 0.000 0.231 36 S C 1.960 176.460 174.600 -0.166 0.000 1.022 36 S CA 1.463 59.620 58.200 -0.071 0.000 0.983 36 S CB -0.326 62.816 63.200 -0.097 0.000 0.803 36 S HN 0.303 nan 8.310 nan 0.000 0.480 37 G N 0.700 109.335 108.800 -0.275 0.000 2.179 37 G HA2 -0.294 3.666 3.960 0.000 0.000 0.260 37 G HA3 -0.294 3.666 3.960 0.000 0.000 0.260 37 G C 0.097 174.485 174.900 -0.852 0.000 0.977 37 G CA 0.263 45.123 45.100 -0.399 0.000 0.641 37 G HN 0.843 nan 8.290 nan 0.000 0.533 38 R N -0.431 119.495 120.500 -0.958 0.000 2.388 38 R HA 0.682 5.022 4.340 0.000 0.000 0.314 38 R C 0.388 176.256 176.300 -0.721 0.000 0.959 38 R CA -0.842 54.851 56.100 -0.680 0.000 0.851 38 R CB 0.386 30.512 30.300 -0.291 0.000 1.168 38 R HN 0.247 nan 8.270 nan 0.000 0.472 39 Y N 3.536 123.845 120.300 0.015 0.000 2.445 39 Y HA 0.367 4.917 4.550 -0.000 0.000 0.247 39 Y C 0.001 175.915 175.900 0.023 0.000 1.129 39 Y CA -0.424 57.685 58.100 0.016 0.000 1.251 39 Y CB 0.925 39.394 38.460 0.014 0.000 1.176 39 Y HN 0.146 nan 8.280 nan 0.000 0.522 40 L N 0.685 121.971 121.223 0.105 0.000 2.431 40 L HA 0.379 4.719 4.340 0.000 0.000 0.266 40 L C -0.608 176.293 176.870 0.052 0.000 0.978 40 L CA -1.106 53.789 54.840 0.090 0.000 0.822 40 L CB 2.493 44.615 42.059 0.105 0.000 1.310 40 L HN 0.055 nan 8.230 nan 0.000 0.409 41 L N 2.223 123.483 121.223 0.060 0.000 3.795 41 L HA -0.259 4.081 4.340 0.000 0.000 0.489 41 L C 0.473 177.361 176.870 0.029 0.000 1.259 41 L CA 0.458 55.329 54.840 0.051 0.000 0.765 41 L CB -1.787 40.303 42.059 0.050 0.000 1.519 41 L HN 0.919 nan 8.230 nan 0.000 0.842 42 G N -0.167 108.649 108.800 0.026 0.000 3.217 42 G HA2 0.671 4.631 3.960 0.000 0.000 0.213 42 G HA3 0.671 4.631 3.960 0.000 0.000 0.213 42 G C -1.915 172.998 174.900 0.021 0.000 1.294 42 G CA 0.087 45.190 45.100 0.006 0.000 0.987 42 G HN 0.101 nan 8.290 nan 0.000 0.584 43 P HA -0.035 nan 4.420 nan 0.000 0.217 43 P C 1.261 178.584 177.300 0.038 0.000 1.150 43 P CA 1.052 64.164 63.100 0.020 0.000 0.832 43 P CB 0.245 31.949 31.700 0.006 0.000 0.787 44 E N -0.126 120.096 120.200 0.036 0.000 2.051 44 E HA -0.154 4.197 4.350 0.000 0.000 0.192 44 E C 2.056 178.710 176.600 0.091 0.000 0.991 44 E CA 0.763 57.193 56.400 0.049 0.000 0.799 44 E CB -1.217 28.500 29.700 0.028 0.000 0.748 44 E HN 0.180 nan 8.360 nan 0.000 0.449 45 L N 1.878 123.155 121.223 0.090 0.000 2.017 45 L HA -0.165 4.175 4.340 0.000 0.000 0.208 45 L C 1.972 178.932 176.870 0.150 0.000 1.073 45 L CA 1.869 56.791 54.840 0.137 0.000 0.745 45 L CB -0.616 41.509 42.059 0.110 0.000 0.894 45 L HN 0.062 nan 8.230 nan 0.000 0.432 46 E N -0.749 119.510 120.200 0.097 0.000 2.077 46 E HA -0.177 4.173 4.350 0.000 0.000 0.193 46 E C 2.042 178.685 176.600 0.071 0.000 0.989 46 E CA 1.022 57.468 56.400 0.077 0.000 0.800 46 E CB -0.502 29.229 29.700 0.052 0.000 0.746 46 E HN 0.686 nan 8.360 nan 0.000 0.452 47 G N 1.048 109.895 108.800 0.079 0.000 2.404 47 G HA2 -0.278 3.682 3.960 0.000 0.000 0.215 47 G HA3 -0.278 3.682 3.960 0.000 0.000 0.215 47 G C 1.371 176.322 174.900 0.085 0.000 1.174 47 G CA 0.505 45.647 45.100 0.069 0.000 0.780 47 G HN 0.234 nan 8.290 nan 0.000 0.537 48 F N 1.713 121.657 119.950 -0.010 0.000 2.095 48 F HA -0.059 4.468 4.527 0.000 0.000 0.298 48 F C 2.607 178.434 175.800 0.044 0.000 1.104 48 F CA 2.121 60.103 58.000 -0.030 0.000 1.232 48 F CB -0.305 38.628 39.000 -0.111 0.000 0.987 48 F HN 0.270 nan 8.300 nan 0.000 0.475 49 E N 0.267 120.413 120.200 -0.089 0.000 2.049 49 E HA -0.259 4.091 4.350 0.000 0.000 0.198 49 E C 2.409 178.952 176.600 -0.096 0.000 1.007 49 E CA 1.384 57.729 56.400 -0.091 0.000 0.809 49 E CB -0.559 29.185 29.700 0.073 0.000 0.749 49 E HN 0.510 nan 8.360 nan 0.000 0.450 50 A N 1.281 124.070 122.820 -0.051 0.000 1.865 50 A HA -0.290 4.030 4.320 0.000 0.000 0.217 50 A C 1.977 179.516 177.584 -0.075 0.000 1.191 50 A CA 1.950 53.958 52.037 -0.049 0.000 0.623 50 A CB -0.630 18.357 19.000 -0.023 0.000 0.826 50 A HN 0.201 nan 8.150 nan 0.000 0.444 51 E N -1.552 118.596 120.200 -0.087 0.000 2.085 51 E HA -0.182 4.168 4.350 0.000 0.000 0.194 51 E C 1.779 178.333 176.600 -0.076 0.000 0.994 51 E CA 1.377 57.737 56.400 -0.068 0.000 0.801 51 E CB -0.284 29.396 29.700 -0.034 0.000 0.743 51 E HN 0.641 nan 8.360 nan 0.000 0.453 52 F N 1.319 120.993 119.950 -0.460 0.000 2.113 52 F HA -0.123 4.404 4.527 0.000 0.000 0.297 52 F C 2.226 177.934 175.800 -0.154 0.000 1.103 52 F CA 1.271 59.008 58.000 -0.439 0.000 1.248 52 F CB -0.666 37.796 39.000 -0.898 0.000 0.999 52 F HN -0.036 nan 8.300 nan 0.000 0.475 53 A N 0.398 123.126 122.820 -0.154 0.000 1.892 53 A HA -0.167 4.153 4.320 0.000 0.000 0.218 53 A C 2.454 179.939 177.584 -0.165 0.000 1.188 53 A CA 2.348 54.288 52.037 -0.161 0.000 0.631 53 A CB -1.642 17.308 19.000 -0.082 0.000 0.822 53 A HN 0.494 nan 8.150 nan 0.000 0.447 54 A N -1.658 121.094 122.820 -0.114 0.000 1.902 54 A HA -0.138 4.182 4.320 0.000 0.000 0.217 54 A C 2.144 179.671 177.584 -0.095 0.000 1.181 54 A CA 1.755 53.737 52.037 -0.091 0.000 0.623 54 A CB -0.898 18.068 19.000 -0.057 0.000 0.818 54 A HN 0.789 nan 8.150 nan 0.000 0.443 55 Y N 0.150 120.328 120.300 -0.203 0.000 2.114 55 Y HA -0.300 4.250 4.550 0.000 0.000 0.282 55 Y C 2.361 178.110 175.900 -0.250 0.000 1.165 55 Y CA 1.839 59.819 58.100 -0.201 0.000 1.148 55 Y CB -0.672 37.671 38.460 -0.195 0.000 0.972 55 Y HN 0.345 nan 8.280 nan 0.000 0.504 56 C N 1.102 120.220 119.300 -0.304 0.000 2.522 56 C HA 0.010 4.470 4.460 0.000 0.000 0.271 56 C C 0.798 175.662 174.990 -0.209 0.000 1.425 56 C CA 1.006 59.832 59.018 -0.320 0.000 1.751 56 C CB -1.869 25.623 27.740 -0.414 0.000 1.775 56 C HN 0.671 nan 8.230 nan 0.000 0.557 57 E N -0.054 120.031 120.200 -0.191 0.000 2.553 57 E HA -0.188 4.162 4.350 0.000 0.000 0.264 57 E C 0.153 176.697 176.600 -0.094 0.000 1.068 57 E CA 0.681 57.001 56.400 -0.132 0.000 0.774 57 E CB -1.374 28.252 29.700 -0.123 0.000 1.349 57 E HN 0.630 nan 8.360 nan 0.000 0.404 58 T N -1.827 112.668 114.554 -0.099 0.000 2.838 58 T HA 0.266 4.616 4.350 0.000 0.000 0.292 58 T C -0.191 174.441 174.700 -0.113 0.000 1.113 58 T CA -0.546 61.512 62.100 -0.069 0.000 1.008 58 T CB 1.433 70.287 68.868 -0.024 0.000 1.259 58 T HN 0.029 nan 8.240 nan 0.000 0.520 59 D N -0.096 120.213 120.400 -0.152 0.000 2.366 59 D HA 0.115 4.755 4.640 0.000 0.000 0.205 59 D C 0.061 175.973 176.300 -0.647 0.000 1.022 59 D CA 0.556 54.310 54.000 -0.410 0.000 0.868 59 D CB 0.327 40.783 40.800 -0.572 0.000 0.953 59 D HN 0.450 nan 8.370 nan 0.000 0.514 60 H N -0.311 118.766 119.070 0.011 0.000 2.851 60 H HA 0.659 5.215 4.556 0.000 0.000 0.372 60 H C -0.833 174.529 175.328 0.057 0.000 1.158 60 H CA -0.755 55.312 56.048 0.030 0.000 1.159 60 H CB 2.504 32.287 29.762 0.035 0.000 1.757 60 H HN -0.105 nan 8.280 nan 0.000 0.546 61 A N 1.838 124.777 122.820 0.198 0.000 2.455 61 A HA 0.576 4.896 4.320 0.000 0.000 0.300 61 A C -1.208 176.498 177.584 0.204 0.000 1.040 61 A CA -0.586 51.578 52.037 0.211 0.000 0.697 61 A CB 1.567 20.694 19.000 0.212 0.000 1.265 61 A HN 0.323 nan 8.150 nan 0.000 0.407 62 V N 2.072 122.120 119.914 0.224 0.000 2.409 62 V HA 0.594 4.714 4.120 0.000 0.000 0.290 62 V C 0.806 177.037 176.094 0.228 0.000 1.017 62 V CA -0.209 62.204 62.300 0.188 0.000 0.841 62 V CB 1.514 33.419 31.823 0.137 0.000 1.003 62 V HN 1.238 nan 8.190 nan 0.000 0.426 63 G N 3.545 112.491 108.800 0.243 0.000 2.403 63 G HA2 0.574 4.534 3.960 0.000 0.000 0.259 63 G HA3 0.574 4.534 3.960 0.000 0.000 0.259 63 G C -0.218 174.799 174.900 0.196 0.000 1.244 63 G CA 0.179 45.450 45.100 0.284 0.000 0.849 63 G HN 1.007 nan 8.290 nan 0.000 0.532 64 V N 0.320 120.348 119.914 0.191 0.000 3.084 64 V HA 0.583 4.703 4.120 0.000 0.000 0.311 64 V C 1.050 177.218 176.094 0.122 0.000 1.311 64 V CA -0.748 61.627 62.300 0.126 0.000 1.062 64 V CB 1.523 33.399 31.823 0.090 0.000 1.113 64 V HN 0.519 nan 8.190 nan 0.000 0.468 65 N N 0.360 119.112 118.700 0.086 0.000 2.376 65 N HA 0.137 4.877 4.740 0.000 0.000 0.177 65 N C 0.365 175.926 175.510 0.086 0.000 1.024 65 N CA 1.066 54.166 53.050 0.083 0.000 0.893 65 N CB 0.162 38.687 38.487 0.062 0.000 0.980 65 N HN 1.163 nan 8.380 nan 0.000 0.439 66 S N -3.888 111.851 115.700 0.066 0.000 2.611 66 S HA 0.493 4.963 4.470 0.000 0.000 0.268 66 S C 0.850 175.461 174.600 0.017 0.000 1.156 66 S CA -0.480 57.755 58.200 0.059 0.000 0.817 66 S CB 0.817 64.059 63.200 0.070 0.000 1.122 66 S HN 0.017 nan 8.310 nan 0.000 0.466 67 G N 0.602 109.403 108.800 0.002 0.000 2.443 67 G HA2 -0.102 3.858 3.960 0.000 0.000 0.219 67 G HA3 -0.102 3.858 3.960 0.000 0.000 0.219 67 G C 1.142 176.035 174.900 -0.011 0.000 1.131 67 G CA 1.061 46.142 45.100 -0.031 0.000 0.775 67 G HN 0.808 nan 8.290 nan 0.000 0.547 68 M N 0.728 120.339 119.600 0.018 0.000 2.099 68 M HA 0.012 4.492 4.480 0.000 0.000 0.262 68 M C 1.767 178.072 176.300 0.009 0.000 1.067 68 M CA 1.974 57.286 55.300 0.020 0.000 1.124 68 M CB -0.111 32.511 32.600 0.038 0.000 1.353 68 M HN -0.011 nan 8.290 nan 0.000 0.410 69 D N 0.716 121.124 120.400 0.014 0.000 2.144 69 D HA -0.062 4.578 4.640 0.000 0.000 0.199 69 D C 2.089 178.393 176.300 0.006 0.000 0.984 69 D CA 1.661 55.667 54.000 0.010 0.000 0.834 69 D CB -0.426 40.385 40.800 0.017 0.000 0.955 69 D HN 0.553 nan 8.370 nan 0.000 0.465 70 A N 0.733 123.557 122.820 0.007 0.000 1.865 70 A HA -0.151 4.169 4.320 0.000 0.000 0.217 70 A C 2.373 179.950 177.584 -0.011 0.000 1.191 70 A CA 1.017 53.060 52.037 0.010 0.000 0.623 70 A CB -0.870 18.135 19.000 0.009 0.000 0.826 70 A HN 0.207 nan 8.150 nan 0.000 0.444 71 L N -1.022 120.184 121.223 -0.028 0.000 1.989 71 L HA -0.272 4.068 4.340 0.000 0.000 0.211 71 L C 2.989 179.840 176.870 -0.033 0.000 1.071 71 L CA 1.979 56.794 54.840 -0.042 0.000 0.749 71 L CB -0.593 41.439 42.059 -0.045 0.000 0.890 71 L HN 0.568 nan 8.230 nan 0.000 0.431 72 Q N 0.159 119.947 119.800 -0.020 0.000 2.030 72 Q HA -0.228 4.112 4.340 0.000 0.000 0.204 72 Q C 2.368 178.354 176.000 -0.023 0.000 0.986 72 Q CA 1.663 57.455 55.803 -0.018 0.000 0.843 72 Q CB -0.091 28.642 28.738 -0.009 0.000 0.904 72 Q HN 0.521 nan 8.270 nan 0.000 0.420 73 L N -0.150 121.062 121.223 -0.017 0.000 2.141 73 L HA -0.144 4.196 4.340 0.000 0.000 0.209 73 L C 2.503 179.357 176.870 -0.027 0.000 1.094 73 L CA 0.768 55.597 54.840 -0.017 0.000 0.763 73 L CB -0.593 41.464 42.059 -0.005 0.000 0.908 73 L HN 0.243 nan 8.230 nan 0.000 0.437 74 A N 0.557 123.359 122.820 -0.031 0.000 1.873 74 A HA -0.144 4.176 4.320 0.000 0.000 0.215 74 A C 2.243 179.780 177.584 -0.079 0.000 1.186 74 A CA 1.317 53.326 52.037 -0.047 0.000 0.616 74 A CB -0.617 18.358 19.000 -0.043 0.000 0.823 74 A HN 0.312 nan 8.150 nan 0.000 0.442 75 L N -1.055 120.126 121.223 -0.070 0.000 1.994 75 L HA -0.183 4.157 4.340 0.000 0.000 0.208 75 L C 2.775 179.598 176.870 -0.078 0.000 1.071 75 L CA 1.892 56.684 54.840 -0.081 0.000 0.745 75 L CB -0.560 41.465 42.059 -0.056 0.000 0.892 75 L HN 0.425 nan 8.230 nan 0.000 0.431 76 R N 0.386 120.854 120.500 -0.053 0.000 2.103 76 R HA -0.184 4.156 4.340 0.000 0.000 0.242 76 R C 2.151 178.420 176.300 -0.052 0.000 1.142 76 R CA 1.727 57.803 56.100 -0.041 0.000 0.960 76 R CB -0.624 29.660 30.300 -0.028 0.000 0.858 76 R HN 0.448 nan 8.270 nan 0.000 0.439 77 G N 0.142 108.905 108.800 -0.061 0.000 2.559 77 G HA2 -0.124 3.836 3.960 0.000 0.000 0.216 77 G HA3 -0.124 3.836 3.960 0.000 0.000 0.216 77 G C 1.108 175.941 174.900 -0.111 0.000 1.126 77 G CA 0.261 45.321 45.100 -0.067 0.000 0.778 77 G HN 0.284 nan 8.290 nan 0.000 0.543 78 L N 0.052 121.174 121.223 -0.169 0.000 2.818 78 L HA 0.332 4.672 4.340 0.000 0.000 0.243 78 L C 1.739 178.500 176.870 -0.182 0.000 1.185 78 L CA 0.237 54.888 54.840 -0.315 0.000 0.988 78 L CB 0.304 41.962 42.059 -0.668 0.000 1.292 78 L HN 0.256 nan 8.230 nan 0.000 0.519 79 G N 0.892 109.645 108.800 -0.079 0.000 2.148 79 G HA2 -0.297 3.663 3.960 0.000 0.000 0.254 79 G HA3 -0.297 3.663 3.960 0.000 0.000 0.254 79 G C 0.132 175.029 174.900 -0.004 0.000 0.981 79 G CA -0.165 44.924 45.100 -0.019 0.000 0.670 79 G HN 0.256 nan 8.290 nan 0.000 0.528 80 I N 1.218 121.773 120.570 -0.025 0.000 2.556 80 I HA 0.542 4.712 4.170 0.000 0.000 0.284 80 I C 1.191 177.302 176.117 -0.010 0.000 1.114 80 I CA 1.722 63.017 61.300 -0.009 0.000 1.418 80 I CB 1.184 39.174 38.000 -0.018 0.000 1.394 80 I HN 0.390 nan 8.210 nan 0.000 0.552 81 G N 5.841 114.638 108.800 -0.005 0.000 2.570 81 G HA2 0.486 4.446 3.960 0.000 0.000 0.310 81 G HA3 0.486 4.446 3.960 0.000 0.000 0.310 81 G C -3.134 171.763 174.900 -0.005 0.000 1.266 81 G CA -0.871 44.226 45.100 -0.005 0.000 0.825 81 G HN 0.270 nan 8.290 nan 0.000 0.483 82 P HA 0.270 nan 4.420 nan 0.000 0.262 82 P C 0.997 178.295 177.300 -0.004 0.000 1.182 82 P CA 1.861 64.959 63.100 -0.003 0.000 0.761 82 P CB 0.840 32.539 31.700 -0.001 0.000 0.795 83 G N 1.833 110.629 108.800 -0.007 0.000 2.241 83 G HA2 -0.188 3.772 3.960 0.000 0.000 0.244 83 G HA3 -0.188 3.772 3.960 0.000 0.000 0.244 83 G C -0.058 174.834 174.900 -0.014 0.000 0.998 83 G CA -0.134 44.961 45.100 -0.009 0.000 0.621 83 G HN 0.521 nan 8.290 nan 0.000 0.519 84 D N 1.088 121.479 120.400 -0.014 0.000 2.312 84 D HA 0.579 5.219 4.640 0.000 0.000 0.248 84 D C 0.386 176.664 176.300 -0.036 0.000 1.086 84 D CA 0.041 54.029 54.000 -0.020 0.000 0.948 84 D CB 0.996 41.790 40.800 -0.010 0.000 1.162 84 D HN 0.478 nan 8.370 nan 0.000 0.446 85 E N -0.020 120.151 120.200 -0.048 0.000 2.199 85 E HA 0.512 4.862 4.350 0.000 0.000 0.269 85 E C -1.101 175.445 176.600 -0.090 0.000 0.899 85 E CA -0.863 55.492 56.400 -0.076 0.000 0.772 85 E CB 2.253 31.904 29.700 -0.081 0.000 1.155 85 E HN 0.029 nan 8.360 nan 0.000 0.408 86 V N 4.371 124.208 119.914 -0.129 0.000 2.483 86 V HA 0.313 4.433 4.120 0.000 0.000 0.297 86 V C -0.143 175.825 176.094 -0.210 0.000 1.027 86 V CA -0.686 61.529 62.300 -0.142 0.000 0.855 86 V CB 1.408 33.152 31.823 -0.133 0.000 0.995 86 V HN 0.659 nan 8.190 nan 0.000 0.424 87 I N 5.915 126.373 120.570 -0.188 0.000 2.517 87 I HA 0.268 4.438 4.170 0.000 0.000 0.285 87 I C 0.212 176.177 176.117 -0.253 0.000 1.106 87 I CA 0.377 61.545 61.300 -0.221 0.000 1.402 87 I CB 1.026 38.922 38.000 -0.173 0.000 1.399 87 I HN 0.601 nan 8.210 nan 0.000 0.535 88 V N 5.220 124.919 119.914 -0.358 0.000 3.046 88 V HA 0.721 4.841 4.120 0.000 0.000 0.316 88 V C -2.773 173.164 176.094 -0.262 0.000 1.104 88 V CA -2.680 59.395 62.300 -0.374 0.000 1.006 88 V CB 1.609 33.031 31.823 -0.669 0.000 1.058 88 V HN 0.400 nan 8.190 nan 0.000 0.440 89 P HA 0.278 nan 4.420 nan 0.000 0.280 89 P C 0.719 178.129 177.300 0.184 0.000 1.244 89 P CA 0.030 63.133 63.100 0.006 0.000 0.784 89 P CB 1.402 33.098 31.700 -0.007 0.000 0.913 90 S N 1.502 117.301 115.700 0.165 0.000 2.453 90 S HA -0.134 4.336 4.470 0.000 0.000 0.231 90 S C 0.675 175.442 174.600 0.279 0.000 1.005 90 S CA 0.825 59.201 58.200 0.294 0.000 0.949 90 S CB -0.862 62.421 63.200 0.138 0.000 0.774 90 S HN 0.579 nan 8.310 nan 0.000 0.510 91 H N 0.763 119.881 119.070 0.080 0.000 2.673 91 H HA 0.656 5.212 4.556 0.000 0.000 0.293 91 H C -0.266 175.021 175.328 -0.069 0.000 1.065 91 H CA 0.451 56.485 56.048 -0.023 0.000 1.236 91 H CB 0.664 30.351 29.762 -0.125 0.000 1.389 91 H HN 0.264 nan 8.280 nan 0.000 0.481 92 T N 2.996 117.327 114.554 -0.372 0.000 2.648 92 T HA 0.094 4.444 4.350 0.000 0.000 0.300 92 T C -1.948 172.577 174.700 -0.293 0.000 1.751 92 T CA -0.758 61.166 62.100 -0.292 0.000 0.959 92 T CB -0.172 68.628 68.868 -0.113 0.000 1.888 92 T HN 0.330 nan 8.240 nan 0.000 0.480 93 Y N 2.287 122.351 120.300 -0.394 0.000 2.335 93 Y HA 0.446 4.996 4.550 -0.000 0.000 0.331 93 Y C 1.655 177.294 175.900 -0.435 0.000 1.094 93 Y CA -0.558 57.130 58.100 -0.687 0.000 1.253 93 Y CB 0.328 38.508 38.460 -0.466 0.000 1.203 93 Y HN 0.688 nan 8.280 nan 0.000 0.508 94 I N 4.659 124.527 120.570 -1.170 0.000 2.290 94 I HA -0.412 3.758 4.170 0.000 0.000 0.253 94 I C 2.025 177.810 176.117 -0.552 0.000 1.112 94 I CA 2.004 62.781 61.300 -0.872 0.000 1.377 94 I CB -0.226 37.321 38.000 -0.756 0.000 1.060 94 I HN 0.912 nan 8.210 nan 0.000 0.428 95 A N -0.322 122.094 122.820 -0.674 0.000 1.986 95 A HA -0.272 4.048 4.320 0.000 0.000 0.220 95 A C 2.350 179.908 177.584 -0.043 0.000 1.171 95 A CA 2.295 54.214 52.037 -0.198 0.000 0.640 95 A CB -0.893 18.120 19.000 0.022 0.000 0.811 95 A HN 0.551 nan 8.150 nan 0.000 0.451 96 S N -1.258 114.428 115.700 -0.023 0.000 2.365 96 S HA -0.224 4.247 4.470 0.000 0.000 0.225 96 S C 1.564 176.249 174.600 0.141 0.000 1.039 96 S CA 1.697 59.931 58.200 0.058 0.000 1.033 96 S CB -0.459 62.797 63.200 0.093 0.000 0.887 96 S HN 0.838 nan 8.310 nan 0.000 0.447 97 W N 1.525 122.712 121.300 -0.188 0.000 2.443 97 W HA 0.258 4.918 4.660 -0.000 0.000 0.296 97 W C 2.017 178.526 176.519 -0.016 0.000 1.202 97 W CA -0.316 56.918 57.345 -0.184 0.000 1.312 97 W CB -1.290 27.903 29.460 -0.445 0.000 1.120 97 W HN 0.211 nan 8.180 nan 0.000 0.536 98 L N 0.455 121.853 121.223 0.290 0.000 2.043 98 L HA -0.248 4.092 4.340 0.000 0.000 0.212 98 L C 2.601 179.539 176.870 0.114 0.000 1.075 98 L CA 1.607 56.577 54.840 0.217 0.000 0.752 98 L CB -1.455 40.653 42.059 0.081 0.000 0.891 98 L HN -0.025 nan 8.230 nan 0.000 0.432 99 A N -0.304 122.556 122.820 0.067 0.000 1.940 99 A HA -0.157 4.163 4.320 0.000 0.000 0.219 99 A C 2.358 179.954 177.584 0.020 0.000 1.176 99 A CA 2.002 54.055 52.037 0.027 0.000 0.631 99 A CB -0.795 18.207 19.000 0.003 0.000 0.814 99 A HN 0.212 nan 8.150 nan 0.000 0.446 100 V N -0.300 119.628 119.914 0.023 0.000 2.283 100 V HA -0.199 3.921 4.120 0.000 0.000 0.243 100 V C 2.760 178.871 176.094 0.028 0.000 1.039 100 V CA 2.243 64.540 62.300 -0.005 0.000 1.016 100 V CB -0.897 30.889 31.823 -0.061 0.000 0.650 100 V HN 0.565 nan 8.190 nan 0.000 0.449 101 S N 0.658 116.413 115.700 0.092 0.000 2.387 101 S HA -0.248 4.222 4.470 0.000 0.000 0.230 101 S C 2.148 176.781 174.600 0.055 0.000 1.035 101 S CA 1.489 59.758 58.200 0.114 0.000 1.014 101 S CB -0.586 62.756 63.200 0.236 0.000 0.836 101 S HN 0.663 nan 8.310 nan 0.000 0.466 102 A N 1.318 124.163 122.820 0.042 0.000 2.070 102 A HA -0.101 4.219 4.320 0.000 0.000 0.220 102 A C 2.301 179.889 177.584 0.006 0.000 1.159 102 A CA 1.858 53.905 52.037 0.017 0.000 0.656 102 A CB -0.962 18.045 19.000 0.011 0.000 0.800 102 A HN 0.647 nan 8.150 nan 0.000 0.453 103 T N -5.267 109.290 114.554 0.005 0.000 3.081 103 T HA 0.410 4.760 4.350 0.000 0.000 0.250 103 T C 1.438 176.138 174.700 -0.001 0.000 1.100 103 T CA 1.093 63.191 62.100 -0.003 0.000 1.038 103 T CB 0.303 69.165 68.868 -0.010 0.000 0.962 103 T HN 1.587 nan 8.240 nan 0.000 0.516 104 G N 1.101 109.904 108.800 0.005 0.000 2.232 104 G HA2 -0.031 3.929 3.960 0.000 0.000 0.226 104 G HA3 -0.031 3.929 3.960 0.000 0.000 0.226 104 G C 0.430 175.332 174.900 0.004 0.000 0.996 104 G CA -0.126 44.977 45.100 0.005 0.000 0.626 104 G HN 1.096 nan 8.290 nan 0.000 0.509 105 A N -0.070 122.749 122.820 -0.002 0.000 2.327 105 A HA 0.675 4.995 4.320 0.000 0.000 0.255 105 A C 0.572 178.146 177.584 -0.016 0.000 1.099 105 A CA 1.279 53.307 52.037 -0.014 0.000 0.801 105 A CB 0.339 19.325 19.000 -0.025 0.000 1.062 105 A HN 0.788 nan 8.150 nan 0.000 0.496 106 T N 2.932 117.461 114.554 -0.041 0.000 2.770 106 T HA 0.545 4.895 4.350 0.000 0.000 0.283 106 T C -2.754 171.862 174.700 -0.140 0.000 0.988 106 T CA -0.887 61.178 62.100 -0.058 0.000 0.957 106 T CB 1.244 70.082 68.868 -0.049 0.000 0.930 106 T HN 0.473 nan 8.240 nan 0.000 0.443 107 P HA 0.334 nan 4.420 nan 0.000 0.282 107 P C -0.902 176.078 177.300 -0.534 0.000 1.262 107 P CA -0.425 62.413 63.100 -0.437 0.000 0.773 107 P CB 0.768 32.097 31.700 -0.619 0.000 0.879 108 V N 6.643 126.259 119.914 -0.497 0.000 2.304 108 V HA 0.270 4.390 4.120 0.000 0.000 0.278 108 V C -2.077 173.742 176.094 -0.459 0.000 1.018 108 V CA -2.149 59.908 62.300 -0.405 0.000 0.814 108 V CB 1.438 33.112 31.823 -0.248 0.000 1.021 108 V HN 0.489 nan 8.190 nan 0.000 0.440 109 P HA 0.223 nan 4.420 nan 0.000 0.271 109 P C -0.719 176.470 177.300 -0.184 0.000 1.216 109 P CA 0.090 62.970 63.100 -0.367 0.000 0.771 109 P CB 1.355 32.955 31.700 -0.166 0.000 0.864 110 V N 3.396 123.235 119.914 -0.126 0.000 2.638 110 V HA 0.191 4.311 4.120 0.000 0.000 0.306 110 V C 0.492 176.575 176.094 -0.018 0.000 1.052 110 V CA -0.775 61.479 62.300 -0.077 0.000 0.885 110 V CB 1.863 33.632 31.823 -0.090 0.000 0.999 110 V HN 0.502 nan 8.190 nan 0.000 0.424 111 E N 5.418 125.617 120.200 -0.003 0.000 2.422 111 E HA 0.190 4.540 4.350 0.000 0.000 0.260 111 E C -2.338 174.301 176.600 0.066 0.000 1.108 111 E CA -1.170 55.254 56.400 0.039 0.000 0.943 111 E CB 0.681 30.394 29.700 0.023 0.000 0.961 111 E HN 0.401 nan 8.360 nan 0.000 0.443 112 P HA 0.041 nan 4.420 nan 0.000 0.279 112 P C -0.135 177.263 177.300 0.164 0.000 1.252 112 P CA -0.259 62.933 63.100 0.153 0.000 0.811 112 P CB 0.537 32.361 31.700 0.206 0.000 1.035 113 H N 1.981 121.114 119.070 0.105 0.000 2.929 113 H HA -0.066 4.490 4.556 0.000 0.000 0.358 113 H C 1.335 176.721 175.328 0.098 0.000 1.111 113 H CA 0.860 56.966 56.048 0.097 0.000 1.409 113 H CB 0.825 30.664 29.762 0.128 0.000 1.373 113 H HN 0.578 nan 8.280 nan 0.000 0.610 114 E N 2.149 122.208 120.200 -0.236 0.000 2.333 114 E HA -0.170 4.180 4.350 0.000 0.000 0.198 114 E C 0.031 176.720 176.600 0.147 0.000 1.007 114 E CA 1.393 57.761 56.400 -0.053 0.000 0.845 114 E CB 0.243 29.852 29.700 -0.153 0.000 0.766 114 E HN 0.560 nan 8.360 nan 0.000 0.507 115 D N -0.841 119.861 120.400 0.504 0.000 2.473 115 D HA 0.084 4.724 4.640 0.000 0.000 0.230 115 D C -0.125 176.368 176.300 0.322 0.000 1.097 115 D CA 0.224 54.440 54.000 0.360 0.000 0.861 115 D CB 0.490 41.493 40.800 0.338 0.000 1.114 115 D HN 0.204 nan 8.370 nan 0.000 0.500 116 H N 0.527 119.725 119.070 0.214 0.000 2.637 116 H HA 0.200 4.756 4.556 0.000 0.000 0.363 116 H C -2.107 173.328 175.328 0.178 0.000 1.131 116 H CA -1.913 54.184 56.048 0.082 0.000 1.183 116 H CB 3.307 33.024 29.762 -0.075 0.000 1.637 116 H HN -0.283 nan 8.280 nan 0.000 0.531 117 P HA -0.022 nan 4.420 nan 0.000 0.263 117 P C -0.008 177.277 177.300 -0.026 0.000 1.386 117 P CA 0.199 63.319 63.100 0.032 0.000 0.797 117 P CB -0.410 31.247 31.700 -0.073 0.000 1.381 118 T N -3.295 111.282 114.554 0.039 0.000 2.950 118 T HA 0.446 4.796 4.350 0.000 0.000 0.288 118 T C 0.261 175.029 174.700 0.113 0.000 1.035 118 T CA -1.134 61.006 62.100 0.067 0.000 1.028 118 T CB 0.892 69.839 68.868 0.131 0.000 1.109 118 T HN -0.134 nan 8.240 nan 0.000 0.514 119 L N 2.066 123.317 121.223 0.046 0.000 2.653 119 L HA 0.015 4.355 4.340 0.000 0.000 0.288 119 L C 0.699 177.622 176.870 0.088 0.000 1.243 119 L CA 0.240 55.103 54.840 0.038 0.000 0.906 119 L CB 0.058 42.102 42.059 -0.025 0.000 1.154 119 L HN 0.769 nan 8.230 nan 0.000 0.498 120 D N 6.493 126.946 120.400 0.088 0.000 2.339 120 D HA 0.127 4.767 4.640 0.000 0.000 0.241 120 D C -1.504 174.827 176.300 0.052 0.000 1.183 120 D CA -1.952 52.113 54.000 0.108 0.000 0.859 120 D CB 1.618 42.456 40.800 0.063 0.000 1.067 120 D HN 0.215 nan 8.370 nan 0.000 0.484 121 P HA -0.145 nan 4.420 nan 0.000 0.218 121 P C 1.532 178.836 177.300 0.007 0.000 1.148 121 P CA 0.434 63.551 63.100 0.027 0.000 0.822 121 P CB 0.436 32.161 31.700 0.042 0.000 0.784 122 L N -1.424 119.809 121.223 0.016 0.000 2.156 122 L HA -0.024 4.316 4.340 0.000 0.000 0.208 122 L C 2.513 179.371 176.870 -0.021 0.000 1.095 122 L CA 1.396 56.235 54.840 -0.001 0.000 0.770 122 L CB -1.581 40.479 42.059 0.002 0.000 0.914 122 L HN -0.057 nan 8.230 nan 0.000 0.439 123 L N -2.120 119.090 121.223 -0.021 0.000 2.179 123 L HA -0.115 4.225 4.340 0.000 0.000 0.208 123 L C 2.421 179.259 176.870 -0.053 0.000 1.096 123 L CA 0.350 55.169 54.840 -0.034 0.000 0.779 123 L CB -0.399 41.644 42.059 -0.028 0.000 0.922 123 L HN 0.052 nan 8.230 nan 0.000 0.443 124 V N 0.611 120.494 119.914 -0.052 0.000 2.233 124 V HA -0.345 3.775 4.120 0.000 0.000 0.247 124 V C 2.538 178.564 176.094 -0.112 0.000 1.050 124 V CA 2.295 64.547 62.300 -0.081 0.000 1.010 124 V CB -0.466 31.314 31.823 -0.071 0.000 0.637 124 V HN 0.535 nan 8.190 nan 0.000 0.444 125 E N 0.895 121.033 120.200 -0.103 0.000 2.065 125 E HA -0.311 4.039 4.350 0.000 0.000 0.201 125 E C 1.989 178.512 176.600 -0.128 0.000 1.016 125 E CA 2.156 58.473 56.400 -0.140 0.000 0.818 125 E CB -0.347 29.313 29.700 -0.066 0.000 0.749 125 E HN 0.614 nan 8.360 nan 0.000 0.453 126 K N -0.443 119.909 120.400 -0.080 0.000 2.519 126 K HA -0.026 4.294 4.320 0.000 0.000 0.196 126 K C 1.574 178.127 176.600 -0.078 0.000 1.041 126 K CA 0.714 56.962 56.287 -0.065 0.000 0.954 126 K CB 0.093 32.566 32.500 -0.046 0.000 0.774 126 K HN 0.251 nan 8.250 nan 0.000 0.480 127 A N 0.822 123.582 122.820 -0.101 0.000 2.288 127 A HA 0.189 4.509 4.320 0.000 0.000 0.216 127 A C 0.751 178.264 177.584 -0.118 0.000 1.199 127 A CA -0.359 51.617 52.037 -0.103 0.000 0.891 127 A CB 0.168 19.102 19.000 -0.111 0.000 0.923 127 A HN 0.094 nan 8.150 nan 0.000 0.500 128 I N 2.234 122.713 120.570 -0.151 0.000 2.683 128 I HA 0.109 4.279 4.170 0.000 0.000 0.286 128 I C 1.014 177.065 176.117 -0.110 0.000 1.175 128 I CA 0.483 61.682 61.300 -0.170 0.000 1.429 128 I CB 0.988 38.801 38.000 -0.311 0.000 1.371 128 I HN 0.407 nan 8.210 nan 0.000 0.569 129 T N 3.474 117.979 114.554 -0.082 0.000 2.858 129 T HA 0.460 4.810 4.350 0.000 0.000 0.285 129 T C -2.179 172.504 174.700 -0.029 0.000 1.052 129 T CA -1.711 60.360 62.100 -0.048 0.000 1.009 129 T CB 1.819 70.659 68.868 -0.047 0.000 1.241 129 T HN 0.244 nan 8.240 nan 0.000 0.542 130 P HA 0.084 nan 4.420 nan 0.000 0.228 130 P C 0.811 178.102 177.300 -0.015 0.000 1.151 130 P CA 0.673 63.769 63.100 -0.007 0.000 0.770 130 P CB -0.052 31.645 31.700 -0.005 0.000 0.786 131 R N -1.572 118.913 120.500 -0.025 0.000 2.300 131 R HA 0.149 4.489 4.340 0.000 0.000 0.199 131 R C 0.503 176.782 176.300 -0.036 0.000 0.920 131 R CA 0.159 56.243 56.100 -0.027 0.000 1.046 131 R CB -0.644 29.639 30.300 -0.028 0.000 0.984 131 R HN 0.054 nan 8.270 nan 0.000 0.493 132 T N 1.637 116.164 114.554 -0.045 0.000 2.902 132 T HA 0.118 4.469 4.350 0.000 0.000 0.301 132 T C 1.009 175.683 174.700 -0.042 0.000 1.012 132 T CA 0.075 62.140 62.100 -0.058 0.000 1.151 132 T CB 0.978 69.797 68.868 -0.080 0.000 0.946 132 T HN 0.191 nan 8.240 nan 0.000 0.542 133 R N 0.705 121.185 120.500 -0.034 0.000 2.517 133 R HA 0.515 4.855 4.340 0.000 0.000 0.265 133 R C 0.178 176.487 176.300 0.015 0.000 0.921 133 R CA -0.041 56.053 56.100 -0.010 0.000 1.054 133 R CB 0.802 31.123 30.300 0.035 0.000 1.340 133 R HN 0.664 nan 8.270 nan 0.000 0.551 134 A N 0.992 123.810 122.820 -0.004 0.000 2.597 134 A HA 0.634 4.954 4.320 0.000 0.000 0.292 134 A C -1.564 175.991 177.584 -0.048 0.000 1.057 134 A CA -0.683 51.361 52.037 0.013 0.000 0.674 134 A CB 1.036 20.074 19.000 0.064 0.000 1.278 134 A HN 0.056 nan 8.150 nan 0.000 0.416 135 L N 0.831 122.023 121.223 -0.052 0.000 2.334 135 L HA 0.674 5.014 4.340 0.000 0.000 0.276 135 L C -0.460 176.350 176.870 -0.100 0.000 1.014 135 L CA -0.511 54.275 54.840 -0.090 0.000 0.815 135 L CB 1.863 43.871 42.059 -0.086 0.000 1.268 135 L HN 0.644 nan 8.230 nan 0.000 0.428 136 L N 4.878 126.020 121.223 -0.134 0.000 2.495 136 L HA 0.433 4.773 4.340 0.000 0.000 0.248 136 L C -2.373 174.389 176.870 -0.179 0.000 1.229 136 L CA -1.487 53.263 54.840 -0.150 0.000 0.942 136 L CB 1.394 43.364 42.059 -0.149 0.000 1.242 136 L HN 0.332 nan 8.230 nan 0.000 0.484 137 P HA 0.132 nan 4.420 nan 0.000 0.275 137 P C -0.779 176.281 177.300 -0.400 0.000 1.227 137 P CA -0.058 62.884 63.100 -0.264 0.000 0.781 137 P CB 1.866 33.398 31.700 -0.279 0.000 0.906 138 V N 4.383 124.085 119.914 -0.353 0.000 2.417 138 V HA 0.168 4.288 4.120 0.000 0.000 0.291 138 V C 0.634 176.501 176.094 -0.378 0.000 1.024 138 V CA -0.592 61.490 62.300 -0.363 0.000 0.861 138 V CB 0.737 32.431 31.823 -0.215 0.000 0.985 138 V HN 0.544 nan 8.190 nan 0.000 0.436 139 H N 4.662 123.663 119.070 -0.116 0.000 2.998 139 H HA 0.199 4.755 4.556 0.000 0.000 0.241 139 H C 0.048 175.316 175.328 -0.099 0.000 1.852 139 H CA -0.581 55.419 56.048 -0.080 0.000 1.419 139 H CB 0.365 30.090 29.762 -0.063 0.000 1.793 139 H HN 0.358 nan 8.280 nan 0.000 0.553 140 L N 2.560 123.714 121.223 -0.116 0.000 2.540 140 L HA -0.143 4.197 4.340 0.000 0.000 0.276 140 L C 0.067 176.836 176.870 -0.168 0.000 1.212 140 L CA 0.458 55.121 54.840 -0.295 0.000 0.893 140 L CB -0.380 41.328 42.059 -0.585 0.000 1.138 140 L HN 0.493 nan 8.230 nan 0.000 0.491 141 Y N 2.349 122.711 120.300 0.104 0.000 4.753 141 Y HA -0.199 4.351 4.550 -0.000 0.000 0.232 141 Y C 1.501 177.409 175.900 0.013 0.000 1.029 141 Y CA 1.139 59.321 58.100 0.136 0.000 1.996 141 Y CB -2.167 36.395 38.460 0.169 0.000 1.602 141 Y HN 0.913 nan 8.280 nan 0.000 0.621 142 G N -1.596 107.250 108.800 0.076 0.000 2.159 142 G HA2 -0.248 3.712 3.960 0.000 0.000 0.227 142 G HA3 -0.248 3.712 3.960 0.000 0.000 0.227 142 G C -0.223 174.455 174.900 -0.371 0.000 0.986 142 G CA -0.033 45.004 45.100 -0.104 0.000 0.651 142 G HN 0.651 nan 8.290 nan 0.000 0.523 143 H N 1.097 120.130 119.070 -0.062 0.000 2.552 143 H HA 0.377 4.933 4.556 0.000 0.000 0.311 143 H C -2.454 172.945 175.328 0.118 0.000 1.071 143 H CA -1.528 54.498 56.048 -0.037 0.000 1.307 143 H CB 1.761 31.413 29.762 -0.184 0.000 1.416 143 H HN 0.125 nan 8.280 nan 0.000 0.464 144 P HA 0.110 nan 4.420 nan 0.000 0.276 144 P C -0.305 177.237 177.300 0.403 0.000 1.230 144 P CA -0.360 62.875 63.100 0.225 0.000 0.776 144 P CB 0.745 32.507 31.700 0.104 0.000 0.888 145 A N 2.302 125.427 122.820 0.509 0.000 2.366 145 A HA 0.132 4.452 4.320 0.000 0.000 0.249 145 A C 0.522 178.135 177.584 0.049 0.000 1.084 145 A CA -0.170 52.014 52.037 0.246 0.000 0.794 145 A CB -0.237 18.809 19.000 0.077 0.000 1.034 145 A HN 0.500 nan 8.150 nan 0.000 0.491 146 D N 2.347 122.771 120.400 0.039 0.000 2.540 146 D HA 0.048 4.688 4.640 0.000 0.000 0.237 146 D C 1.158 177.319 176.300 -0.232 0.000 1.181 146 D CA -0.039 53.965 54.000 0.008 0.000 1.119 146 D CB -0.149 40.697 40.800 0.076 0.000 1.119 146 D HN 0.339 nan 8.370 nan 0.000 0.498 147 M N 1.290 120.400 119.600 -0.816 0.000 2.149 147 M HA -0.146 4.334 4.480 0.000 0.000 0.261 147 M C 1.149 177.283 176.300 -0.277 0.000 1.064 147 M CA 1.101 56.015 55.300 -0.644 0.000 1.102 147 M CB -0.490 31.616 32.600 -0.824 0.000 1.369 147 M HN 0.273 nan 8.290 nan 0.000 0.408 148 D N 0.557 120.919 120.400 -0.063 0.000 2.117 148 D HA -0.058 4.582 4.640 0.000 0.000 0.197 148 D C 2.030 178.357 176.300 0.045 0.000 0.987 148 D CA 1.668 55.725 54.000 0.096 0.000 0.829 148 D CB -0.150 40.779 40.800 0.214 0.000 0.961 148 D HN 0.341 nan 8.370 nan 0.000 0.460 149 A N 0.565 123.412 122.820 0.045 0.000 1.930 149 A HA -0.089 4.231 4.320 0.000 0.000 0.217 149 A C 2.384 179.973 177.584 0.008 0.000 1.175 149 A CA 0.792 52.850 52.037 0.034 0.000 0.627 149 A CB -0.658 18.370 19.000 0.047 0.000 0.815 149 A HN 0.203 nan 8.150 nan 0.000 0.443 150 L N -1.275 119.934 121.223 -0.023 0.000 2.093 150 L HA -0.145 4.195 4.340 0.000 0.000 0.208 150 L C 2.830 179.686 176.870 -0.022 0.000 1.085 150 L CA 1.269 56.089 54.840 -0.034 0.000 0.755 150 L CB -0.507 41.516 42.059 -0.061 0.000 0.904 150 L HN 0.333 nan 8.230 nan 0.000 0.435 151 R N 0.318 120.805 120.500 -0.022 0.000 2.075 151 R HA -0.205 4.135 4.340 0.000 0.000 0.232 151 R C 2.262 178.569 176.300 0.011 0.000 1.126 151 R CA 1.656 57.752 56.100 -0.006 0.000 0.963 151 R CB -0.248 30.049 30.300 -0.005 0.000 0.858 151 R HN 0.444 nan 8.270 nan 0.000 0.435 152 E N 0.904 121.116 120.200 0.020 0.000 2.058 152 E HA -0.233 4.117 4.350 0.000 0.000 0.194 152 E C 1.767 178.396 176.600 0.047 0.000 0.997 152 E CA 1.245 57.663 56.400 0.029 0.000 0.801 152 E CB -0.258 29.462 29.700 0.033 0.000 0.746 152 E HN 0.056 nan 8.360 nan 0.000 0.450 153 L N 1.025 122.282 121.223 0.057 0.000 1.989 153 L HA -0.136 4.204 4.340 0.000 0.000 0.211 153 L C 2.609 179.558 176.870 0.132 0.000 1.071 153 L CA 2.303 57.207 54.840 0.108 0.000 0.749 153 L CB -1.416 40.659 42.059 0.026 0.000 0.890 153 L HN 0.397 nan 8.230 nan 0.000 0.431 154 A N -0.962 121.886 122.820 0.047 0.000 1.908 154 A HA -0.232 4.088 4.320 0.000 0.000 0.218 154 A C 1.987 179.586 177.584 0.025 0.000 1.181 154 A CA 1.959 54.011 52.037 0.025 0.000 0.627 154 A CB -0.686 18.311 19.000 -0.005 0.000 0.818 154 A HN 0.485 nan 8.150 nan 0.000 0.445 155 D N -0.662 119.748 120.400 0.018 0.000 2.077 155 D HA -0.163 4.477 4.640 0.000 0.000 0.193 155 D C 2.080 178.371 176.300 -0.015 0.000 0.989 155 D CA 1.293 55.291 54.000 -0.004 0.000 0.831 155 D CB -0.499 40.299 40.800 -0.003 0.000 0.979 155 D HN 0.374 nan 8.370 nan 0.000 0.449 156 R N 0.631 121.125 120.500 -0.010 0.000 2.154 156 R HA -0.165 4.175 4.340 0.000 0.000 0.248 156 R C 1.125 177.287 176.300 -0.229 0.000 1.155 156 R CA 1.354 57.395 56.100 -0.099 0.000 0.979 156 R CB -0.248 30.006 30.300 -0.076 0.000 0.869 156 R HN 0.462 nan 8.270 nan 0.000 0.452 157 H N -1.695 117.349 119.070 -0.044 0.000 2.652 157 H HA 0.138 4.694 4.556 0.000 0.000 0.274 157 H C 0.571 175.857 175.328 -0.070 0.000 1.021 157 H CA 0.509 56.526 56.048 -0.051 0.000 1.187 157 H CB 0.818 30.551 29.762 -0.049 0.000 1.505 157 H HN 0.458 nan 8.280 nan 0.000 0.530 158 G N 1.924 110.722 108.800 -0.004 0.000 2.295 158 G HA2 -0.263 3.697 3.960 0.000 0.000 0.287 158 G HA3 -0.263 3.697 3.960 0.000 0.000 0.287 158 G C -0.115 174.708 174.900 -0.129 0.000 1.055 158 G CA 0.202 45.261 45.100 -0.069 0.000 0.922 158 G HN 0.245 nan 8.290 nan 0.000 0.503 159 L N -0.102 121.056 121.223 -0.108 0.000 2.322 159 L HA 0.659 4.999 4.340 0.000 0.000 0.269 159 L C 0.683 177.452 176.870 -0.170 0.000 1.012 159 L CA -1.523 53.227 54.840 -0.151 0.000 0.815 159 L CB 1.290 43.312 42.059 -0.062 0.000 1.295 159 L HN 0.134 nan 8.230 nan 0.000 0.438 160 H N 1.550 120.606 119.070 -0.022 0.000 2.495 160 H HA 0.557 5.113 4.556 0.000 0.000 0.350 160 H C -0.652 174.652 175.328 -0.039 0.000 1.202 160 H CA -0.304 55.728 56.048 -0.026 0.000 1.322 160 H CB 2.123 31.868 29.762 -0.028 0.000 1.544 160 H HN 0.341 nan 8.280 nan 0.000 0.565 161 I N 1.939 122.570 120.570 0.101 0.000 2.468 161 I HA 0.115 4.285 4.170 0.000 0.000 0.284 161 I C -0.635 175.478 176.117 -0.008 0.000 1.038 161 I CA -0.611 60.699 61.300 0.017 0.000 1.083 161 I CB 1.846 39.840 38.000 -0.010 0.000 1.223 161 I HN 0.036 nan 8.210 nan 0.000 0.443 162 V N 6.101 125.990 119.914 -0.041 0.000 2.328 162 V HA 0.268 4.388 4.120 0.000 0.000 0.278 162 V C 0.041 176.071 176.094 -0.108 0.000 1.021 162 V CA -0.605 61.655 62.300 -0.066 0.000 0.838 162 V CB 1.375 33.155 31.823 -0.072 0.000 0.999 162 V HN 0.677 nan 8.190 nan 0.000 0.447 163 E N 2.878 123.010 120.200 -0.112 0.000 2.283 163 E HA 0.247 4.597 4.350 0.000 0.000 0.278 163 E C -0.576 175.885 176.600 -0.232 0.000 1.027 163 E CA -0.499 55.797 56.400 -0.174 0.000 0.843 163 E CB 1.200 30.884 29.700 -0.028 0.000 1.062 163 E HN 0.545 nan 8.360 nan 0.000 0.401 164 D N 2.315 122.544 120.400 -0.284 0.000 2.441 164 D HA 0.193 4.833 4.640 0.000 0.000 0.221 164 D C -0.422 175.717 176.300 -0.269 0.000 1.156 164 D CA -0.316 53.533 54.000 -0.253 0.000 0.896 164 D CB 0.718 41.402 40.800 -0.193 0.000 1.028 164 D HN 0.484 nan 8.370 nan 0.000 0.509 165 A N 3.127 125.708 122.820 -0.398 0.000 2.460 165 A HA 0.444 4.764 4.320 0.000 0.000 0.258 165 A C 1.808 179.137 177.584 -0.425 0.000 1.300 165 A CA 0.366 52.141 52.037 -0.436 0.000 0.913 165 A CB 0.046 18.509 19.000 -0.896 0.000 1.031 165 A HN 0.535 nan 8.150 nan 0.000 0.512 166 A N -0.124 122.525 122.820 -0.284 0.000 2.084 166 A HA -0.196 4.124 4.320 0.000 0.000 0.221 166 A C 1.753 179.304 177.584 -0.056 0.000 1.161 166 A CA 1.639 53.595 52.037 -0.135 0.000 0.653 166 A CB -0.251 18.696 19.000 -0.089 0.000 0.802 166 A HN 0.615 nan 8.150 nan 0.000 0.457 167 Q N -1.962 117.788 119.800 -0.084 0.000 2.179 167 Q HA 0.448 4.788 4.340 0.000 0.000 0.213 167 Q C 0.336 176.391 176.000 0.093 0.000 0.833 167 Q CA 0.383 56.124 55.803 -0.102 0.000 0.990 167 Q CB 0.678 29.395 28.738 -0.035 0.000 1.132 167 Q HN 0.536 nan 8.270 nan 0.000 0.493 168 A N 0.154 123.052 122.820 0.131 0.000 2.674 168 A HA 0.239 4.559 4.320 0.000 0.000 0.286 168 A C -0.979 176.818 177.584 0.355 0.000 0.980 168 A CA -0.544 51.609 52.037 0.194 0.000 1.028 168 A CB -0.188 18.874 19.000 0.104 0.000 1.199 168 A HN 0.267 nan 8.150 nan 0.000 0.499 169 H N -0.238 119.099 119.070 0.445 0.000 3.070 169 H HA 0.344 4.900 4.556 0.000 0.000 0.313 169 H C 1.573 177.136 175.328 0.391 0.000 0.997 169 H CA 1.709 58.043 56.048 0.476 0.000 1.438 169 H CB 0.461 30.446 29.762 0.373 0.000 1.455 169 H HN 0.766 nan 8.280 nan 0.000 0.575 170 G N 1.362 110.485 108.800 0.537 0.000 2.184 170 G HA2 -0.278 3.682 3.960 0.000 0.000 0.264 170 G HA3 -0.278 3.682 3.960 0.000 0.000 0.264 170 G C 0.592 175.603 174.900 0.186 0.000 0.975 170 G CA 0.118 45.472 45.100 0.423 0.000 0.642 170 G HN 0.957 nan 8.290 nan 0.000 0.536 171 A N -0.106 122.815 122.820 0.168 0.000 2.386 171 A HA 0.737 5.057 4.320 0.000 0.000 0.248 171 A C 0.752 178.352 177.584 0.027 0.000 1.082 171 A CA 0.202 52.285 52.037 0.075 0.000 0.789 171 A CB 0.373 19.395 19.000 0.036 0.000 1.025 171 A HN 0.546 nan 8.150 nan 0.000 0.490 172 R N -0.238 120.273 120.500 0.018 0.000 2.711 172 R HA 0.441 4.781 4.340 0.000 0.000 0.284 172 R C -1.731 174.600 176.300 0.052 0.000 0.968 172 R CA -0.484 55.623 56.100 0.012 0.000 0.924 172 R CB 1.835 32.128 30.300 -0.011 0.000 1.162 172 R HN 0.748 nan 8.270 nan 0.000 0.465 173 Y N 1.954 122.215 120.300 -0.065 0.000 2.326 173 Y HA 0.222 4.772 4.550 0.000 0.000 0.331 173 Y C -0.048 175.830 175.900 -0.037 0.000 0.962 173 Y CA -0.607 57.461 58.100 -0.053 0.000 1.167 173 Y CB 0.921 39.340 38.460 -0.068 0.000 1.148 173 Y HN 0.664 nan 8.280 nan 0.000 0.463 174 R N 4.478 124.638 120.500 -0.566 0.000 3.416 174 R HA -0.249 4.091 4.340 0.000 0.000 0.263 174 R C 1.033 177.234 176.300 -0.165 0.000 1.053 174 R CA 1.039 56.890 56.100 -0.415 0.000 0.705 174 R CB -1.957 28.040 30.300 -0.505 0.000 1.124 174 R HN 1.401 nan 8.270 nan 0.000 0.444 175 G N -0.479 108.256 108.800 -0.109 0.000 2.205 175 G HA2 -0.379 3.581 3.960 0.000 0.000 0.261 175 G HA3 -0.379 3.581 3.960 0.000 0.000 0.261 175 G C 0.182 175.057 174.900 -0.043 0.000 0.980 175 G CA 0.677 45.740 45.100 -0.062 0.000 0.632 175 G HN 0.432 nan 8.290 nan 0.000 0.533 176 R N 0.738 121.228 120.500 -0.017 0.000 2.407 176 R HA 0.529 4.869 4.340 0.000 0.000 0.303 176 R C 0.667 176.961 176.300 -0.011 0.000 0.981 176 R CA -0.939 55.155 56.100 -0.011 0.000 0.905 176 R CB 1.093 31.406 30.300 0.022 0.000 1.099 176 R HN 0.246 nan 8.270 nan 0.000 0.459 177 R N 1.620 122.084 120.500 -0.059 0.000 2.784 177 R HA 0.115 4.455 4.340 0.000 0.000 0.266 177 R C 0.451 176.736 176.300 -0.024 0.000 1.044 177 R CA -0.297 55.761 56.100 -0.070 0.000 1.151 177 R CB 0.325 30.523 30.300 -0.169 0.000 1.037 177 R HN 0.360 nan 8.270 nan 0.000 0.478 178 I N 1.520 122.090 120.570 -0.001 0.000 2.471 178 I HA 0.035 4.205 4.170 0.000 0.000 0.286 178 I C 1.466 177.649 176.117 0.110 0.000 1.079 178 I CA 1.071 62.364 61.300 -0.011 0.000 1.398 178 I CB 0.318 38.271 38.000 -0.078 0.000 1.403 178 I HN 1.026 nan 8.210 nan 0.000 0.530 179 G N 4.830 113.671 108.800 0.069 0.000 2.179 179 G HA2 -0.136 3.824 3.960 0.000 0.000 0.220 179 G HA3 -0.136 3.824 3.960 0.000 0.000 0.220 179 G C 0.478 175.399 174.900 0.035 0.000 0.990 179 G CA -0.013 45.152 45.100 0.107 0.000 0.646 179 G HN 0.946 nan 8.290 nan 0.000 0.517 180 A N 0.136 122.956 122.820 0.001 0.000 2.425 180 A HA 0.779 5.099 4.320 0.000 0.000 0.242 180 A C 2.032 179.618 177.584 0.002 0.000 1.077 180 A CA 1.787 53.814 52.037 -0.018 0.000 0.781 180 A CB -0.001 18.983 19.000 -0.027 0.000 1.020 180 A HN 2.375 nan 8.150 nan 0.000 0.494 181 G N 0.779 109.577 108.800 -0.003 0.000 2.622 181 G HA2 -0.305 3.655 3.960 0.000 0.000 0.307 181 G HA3 -0.305 3.655 3.960 0.000 0.000 0.307 181 G C 1.323 176.241 174.900 0.030 0.000 1.226 181 G CA 1.762 46.868 45.100 0.010 0.000 0.997 181 G HN 2.292 nan 8.290 nan 0.000 0.551 182 S N 0.331 116.050 115.700 0.031 0.000 2.660 182 S HA 0.426 4.896 4.470 0.000 0.000 0.223 182 S C 1.153 175.777 174.600 0.039 0.000 0.963 182 S CA 1.084 59.308 58.200 0.040 0.000 0.932 182 S CB -0.220 63.001 63.200 0.035 0.000 0.775 182 S HN 1.123 nan 8.310 nan 0.000 0.531 183 S N 0.990 116.711 115.700 0.034 0.000 2.596 183 S HA 0.407 4.877 4.470 0.000 0.000 0.260 183 S C -0.158 174.466 174.600 0.040 0.000 1.336 183 S CA -0.515 57.704 58.200 0.031 0.000 0.993 183 S CB 1.071 64.287 63.200 0.028 0.000 0.923 183 S HN 0.293 nan 8.310 nan 0.000 0.567 184 V N 1.397 121.327 119.914 0.026 0.000 2.445 184 V HA 0.651 4.771 4.120 0.000 0.000 0.283 184 V C -0.239 175.852 176.094 -0.006 0.000 1.014 184 V CA -0.493 61.819 62.300 0.019 0.000 0.852 184 V CB 0.736 32.559 31.823 -0.001 0.000 1.021 184 V HN 0.971 nan 8.190 nan 0.000 0.435 185 A N 3.739 126.563 122.820 0.006 0.000 2.371 185 A HA 0.978 5.298 4.320 0.000 0.000 0.311 185 A C -0.119 177.387 177.584 -0.130 0.000 1.068 185 A CA -0.301 51.672 52.037 -0.105 0.000 0.744 185 A CB 1.723 20.624 19.000 -0.165 0.000 1.239 185 A HN 1.217 nan 8.150 nan 0.000 0.435 186 A N 1.472 124.134 122.820 -0.264 0.000 2.301 186 A HA 0.835 5.155 4.320 0.000 0.000 0.312 186 A C -0.994 176.322 177.584 -0.446 0.000 1.182 186 A CA -0.203 51.715 52.037 -0.200 0.000 0.826 186 A CB 0.125 19.046 19.000 -0.132 0.000 1.134 186 A HN 0.699 nan 8.150 nan 0.000 0.501 187 F N 0.438 120.315 119.950 -0.122 0.000 2.577 187 F HA 0.616 5.143 4.527 -0.000 0.000 0.318 187 F C 0.652 176.183 175.800 -0.449 0.000 1.065 187 F CA -0.304 57.521 58.000 -0.290 0.000 0.929 187 F CB 2.503 41.340 39.000 -0.271 0.000 1.237 187 F HN 0.518 nan 8.300 nan 0.000 0.468 188 S N 0.918 116.540 115.700 -0.130 0.000 2.549 188 S HA 0.599 5.069 4.470 0.000 0.000 0.297 188 S C -0.542 173.954 174.600 -0.173 0.000 1.115 188 S CA -0.366 57.744 58.200 -0.150 0.000 1.059 188 S CB 0.501 63.720 63.200 0.032 0.000 1.046 188 S HN 0.430 nan 8.310 nan 0.000 0.506 189 F N 2.555 122.620 119.950 0.191 0.000 2.698 189 F HA 0.302 4.828 4.527 -0.000 0.000 0.304 189 F C 0.194 176.017 175.800 0.039 0.000 1.108 189 F CA -1.180 56.846 58.000 0.044 0.000 1.263 189 F CB -0.761 38.179 39.000 -0.099 0.000 1.013 189 F HN 0.679 nan 8.300 nan 0.000 0.532 190 Y N 4.545 124.909 120.300 0.106 0.000 2.904 190 Y HA 0.009 4.559 4.550 0.000 0.000 0.336 190 Y C -1.295 174.644 175.900 0.066 0.000 1.263 190 Y CA -1.704 56.440 58.100 0.073 0.000 1.547 190 Y CB 0.642 39.139 38.460 0.060 0.000 1.272 190 Y HN -0.075 nan 8.280 nan 0.000 0.596 191 P HA -0.231 nan 4.420 nan 0.000 0.219 191 P C 1.197 178.446 177.300 -0.086 0.000 1.153 191 P CA 2.616 65.540 63.100 -0.294 0.000 0.865 191 P CB -0.064 31.441 31.700 -0.325 0.000 0.788 192 G N -1.634 107.179 108.800 0.021 0.000 2.813 192 G HA2 -0.069 3.891 3.960 0.000 0.000 0.209 192 G HA3 -0.069 3.891 3.960 0.000 0.000 0.209 192 G C 0.689 175.854 174.900 0.442 0.000 1.150 192 G CA 0.036 45.327 45.100 0.320 0.000 0.785 192 G HN 0.171 nan 8.290 nan 0.000 0.535 193 K N 0.532 121.170 120.400 0.396 0.000 2.187 193 K HA 0.121 4.441 4.320 0.000 0.000 0.247 193 K C 0.948 177.684 176.600 0.228 0.000 1.019 193 K CA -0.504 55.952 56.287 0.282 0.000 0.893 193 K CB 0.307 32.939 32.500 0.220 0.000 1.025 193 K HN -0.117 nan 8.250 nan 0.000 0.500 194 N N -0.039 118.792 118.700 0.217 0.000 2.272 194 N HA -0.157 4.583 4.740 0.000 0.000 0.185 194 N C 0.047 175.587 175.510 0.051 0.000 1.014 194 N CA 0.787 53.974 53.050 0.228 0.000 0.870 194 N CB -0.044 38.639 38.487 0.327 0.000 0.975 194 N HN 0.220 nan 8.380 nan 0.000 0.433 195 L N 0.113 121.182 121.223 -0.257 0.000 2.388 195 L HA 0.635 4.975 4.340 0.000 0.000 0.267 195 L C -0.075 176.703 176.870 -0.155 0.000 0.995 195 L CA -0.528 54.151 54.840 -0.267 0.000 0.864 195 L CB 1.037 42.844 42.059 -0.421 0.000 1.216 195 L HN -0.018 nan 8.230 nan 0.000 0.430 196 G N 2.520 111.258 108.800 -0.104 0.000 2.630 196 G HA2 0.669 4.629 3.960 0.000 0.000 0.296 196 G HA3 0.669 4.629 3.960 0.000 0.000 0.296 196 G C -0.499 174.224 174.900 -0.295 0.000 1.285 196 G CA -0.112 44.926 45.100 -0.104 0.000 0.958 196 G HN 0.904 nan 8.290 nan 0.000 0.479 197 C N -2.514 116.587 119.300 -0.332 0.000 3.798 197 C HA 0.776 5.236 4.460 0.000 0.000 0.303 197 C C 0.398 174.985 174.990 -0.673 0.000 3.510 197 C CA -0.887 57.806 59.018 -0.541 0.000 1.778 197 C CB -0.098 27.433 27.740 -0.347 0.000 3.915 197 C HN 0.505 nan 8.230 nan 0.000 0.510 198 F N 1.474 121.358 119.950 -0.110 0.000 2.923 198 F HA 0.604 5.131 4.527 0.000 0.000 0.314 198 F C 1.105 176.842 175.800 -0.104 0.000 1.196 198 F CA 0.646 58.576 58.000 -0.116 0.000 1.320 198 F CB 0.355 39.273 39.000 -0.137 0.000 0.953 198 F HN 1.162 nan 8.300 nan 0.000 0.505 199 G N -1.049 107.747 108.800 -0.005 0.000 2.335 199 G HA2 0.061 4.021 3.960 0.000 0.000 0.291 199 G HA3 0.061 4.021 3.960 0.000 0.000 0.291 199 G C -1.962 172.933 174.900 -0.009 0.000 1.261 199 G CA -0.929 44.169 45.100 -0.004 0.000 0.871 199 G HN -0.165 nan 8.290 nan 0.000 0.491 200 D N 0.338 120.764 120.400 0.043 0.000 2.345 200 D HA 0.555 5.195 4.640 0.000 0.000 0.247 200 D C 0.433 176.794 176.300 0.102 0.000 1.108 200 D CA 1.177 55.235 54.000 0.097 0.000 0.894 200 D CB 1.562 42.433 40.800 0.119 0.000 1.203 200 D HN 0.899 nan 8.370 nan 0.000 0.430 201 G N -0.692 108.197 108.800 0.149 0.000 2.601 201 G HA2 0.611 4.571 3.960 0.000 0.000 0.291 201 G HA3 0.611 4.571 3.960 0.000 0.000 0.291 201 G C -1.000 173.999 174.900 0.166 0.000 1.456 201 G CA -0.376 44.843 45.100 0.198 0.000 0.804 201 G HN 0.636 nan 8.290 nan 0.000 0.499 202 G N -1.629 107.275 108.800 0.173 0.000 2.550 202 G HA2 1.002 4.962 3.960 0.000 0.000 0.293 202 G HA3 1.002 4.962 3.960 0.000 0.000 0.293 202 G C -1.179 173.759 174.900 0.064 0.000 1.402 202 G CA 0.338 45.350 45.100 -0.147 0.000 0.784 202 G HN 2.139 nan 8.290 nan 0.000 0.482 203 A N -1.276 121.551 122.820 0.013 0.000 2.605 203 A HA 0.755 5.075 4.320 0.000 0.000 0.294 203 A C -1.656 176.101 177.584 0.288 0.000 1.062 203 A CA -0.441 51.761 52.037 0.276 0.000 0.682 203 A CB 1.534 20.860 19.000 0.543 0.000 1.278 203 A HN 1.635 nan 8.150 nan 0.000 0.410 204 V N 1.534 121.613 119.914 0.275 0.000 2.448 204 V HA 0.640 4.760 4.120 0.000 0.000 0.295 204 V C 0.013 176.278 176.094 0.285 0.000 1.025 204 V CA -0.399 62.038 62.300 0.230 0.000 0.859 204 V CB 1.419 33.316 31.823 0.124 0.000 0.988 204 V HN 1.376 nan 8.190 nan 0.000 0.431 205 V N 2.040 122.138 119.914 0.306 0.000 2.581 205 V HA 0.994 5.114 4.120 0.000 0.000 0.303 205 V C -0.387 175.807 176.094 0.167 0.000 1.041 205 V CA -0.119 62.333 62.300 0.254 0.000 0.907 205 V CB 1.754 33.728 31.823 0.253 0.000 0.994 205 V HN 0.918 nan 8.190 nan 0.000 0.442 206 T N 2.092 116.740 114.554 0.157 0.000 2.830 206 T HA 0.608 4.958 4.350 0.000 0.000 0.322 206 T C 0.731 175.548 174.700 0.196 0.000 1.501 206 T CA 0.257 62.435 62.100 0.130 0.000 1.036 206 T CB 1.612 70.532 68.868 0.086 0.000 1.379 206 T HN 1.231 nan 8.240 nan 0.000 0.493 207 G N 0.754 109.649 108.800 0.157 0.000 2.683 207 G HA2 0.126 4.086 3.960 0.000 0.000 0.213 207 G HA3 0.126 4.086 3.960 0.000 0.000 0.213 207 G C 0.344 175.395 174.900 0.250 0.000 1.142 207 G CA 0.074 45.295 45.100 0.202 0.000 0.793 207 G HN 0.662 nan 8.290 nan 0.000 0.534 208 D N 1.211 121.673 120.400 0.104 0.000 2.344 208 D HA 0.169 4.809 4.640 0.000 0.000 0.253 208 D C -1.038 175.116 176.300 -0.243 0.000 1.255 208 D CA -2.265 51.723 54.000 -0.021 0.000 0.894 208 D CB 1.915 42.705 40.800 -0.018 0.000 1.067 208 D HN 0.076 nan 8.370 nan 0.000 0.492 209 P HA -0.108 nan 4.420 nan 0.000 0.220 209 P C 0.969 178.101 177.300 -0.280 0.000 1.148 209 P CA 0.904 63.666 63.100 -0.565 0.000 0.803 209 P CB 0.616 32.201 31.700 -0.192 0.000 0.782 210 E N -0.683 119.426 120.200 -0.151 0.000 2.051 210 E HA -0.091 4.259 4.350 0.000 0.000 0.189 210 E C 1.978 178.526 176.600 -0.086 0.000 0.979 210 E CA 0.419 56.765 56.400 -0.089 0.000 0.803 210 E CB -0.521 29.149 29.700 -0.049 0.000 0.761 210 E HN 0.062 nan 8.360 nan 0.000 0.451 211 L N 1.181 122.349 121.223 -0.090 0.000 2.046 211 L HA -0.114 4.226 4.340 0.000 0.000 0.208 211 L C 2.199 179.025 176.870 -0.074 0.000 1.077 211 L CA 2.096 56.892 54.840 -0.073 0.000 0.747 211 L CB -0.667 41.354 42.059 -0.065 0.000 0.896 211 L HN 0.023 nan 8.230 nan 0.000 0.432 212 A N -0.500 122.245 122.820 -0.124 0.000 1.917 212 A HA -0.309 4.011 4.320 0.000 0.000 0.219 212 A C 2.291 179.840 177.584 -0.059 0.000 1.182 212 A CA 2.030 54.005 52.037 -0.105 0.000 0.633 212 A CB -0.838 18.008 19.000 -0.257 0.000 0.819 212 A HN 0.621 nan 8.150 nan 0.000 0.448 213 E N -0.252 119.903 120.200 -0.076 0.000 2.106 213 E HA -0.115 4.235 4.350 0.000 0.000 0.192 213 E C 2.175 178.766 176.600 -0.015 0.000 0.984 213 E CA 1.122 57.502 56.400 -0.035 0.000 0.806 213 E CB -0.178 29.500 29.700 -0.036 0.000 0.750 213 E HN 0.573 nan 8.360 nan 0.000 0.458 214 R N -0.165 120.321 120.500 -0.023 0.000 2.096 214 R HA -0.064 4.276 4.340 0.000 0.000 0.235 214 R C 2.422 178.721 176.300 -0.001 0.000 1.127 214 R CA 1.303 57.396 56.100 -0.012 0.000 0.968 214 R CB -0.343 29.943 30.300 -0.022 0.000 0.861 214 R HN 0.287 nan 8.270 nan 0.000 0.440 215 L N -0.114 121.107 121.223 -0.002 0.000 2.083 215 L HA -0.161 4.179 4.340 0.000 0.000 0.209 215 L C 2.537 179.424 176.870 0.027 0.000 1.083 215 L CA 1.364 56.211 54.840 0.013 0.000 0.752 215 L CB -0.332 41.740 42.059 0.021 0.000 0.899 215 L HN 0.114 nan 8.230 nan 0.000 0.433 216 R N -0.634 119.884 120.500 0.030 0.000 2.115 216 R HA -0.095 4.245 4.340 0.000 0.000 0.230 216 R C 2.315 178.641 176.300 0.042 0.000 1.111 216 R CA 1.321 57.446 56.100 0.042 0.000 0.976 216 R CB -0.132 30.192 30.300 0.040 0.000 0.870 216 R HN 0.339 nan 8.270 nan 0.000 0.445 217 M N -0.082 119.538 119.600 0.034 0.000 2.160 217 M HA -0.100 4.380 4.480 0.000 0.000 0.264 217 M C 2.103 178.431 176.300 0.047 0.000 1.073 217 M CA 1.403 56.730 55.300 0.046 0.000 1.142 217 M CB -0.181 32.444 32.600 0.041 0.000 1.358 217 M HN 0.109 nan 8.290 nan 0.000 0.422 218 L N 0.377 121.616 121.223 0.026 0.000 2.021 218 L HA -0.263 4.077 4.340 0.000 0.000 0.215 218 L C 2.654 179.515 176.870 -0.014 0.000 1.074 218 L CA 1.736 56.580 54.840 0.008 0.000 0.760 218 L CB -0.796 41.262 42.059 -0.001 0.000 0.889 218 L HN 0.398 nan 8.230 nan 0.000 0.433 219 R N -0.132 120.368 120.500 0.000 0.000 2.316 219 R HA -0.104 4.236 4.340 0.000 0.000 0.202 219 R C 0.677 176.965 176.300 -0.019 0.000 1.029 219 R CA 1.173 57.266 56.100 -0.012 0.000 1.018 219 R CB -0.336 29.980 30.300 0.027 0.000 0.888 219 R HN 0.214 nan 8.270 nan 0.000 0.471 220 N N -0.048 118.667 118.700 0.024 0.000 2.696 220 N HA 0.071 4.811 4.740 0.000 0.000 0.308 220 N C -1.411 174.242 175.510 0.238 0.000 1.915 220 N CA -0.695 52.421 53.050 0.110 0.000 0.906 220 N CB -0.200 38.363 38.487 0.126 0.000 1.284 220 N HN 0.275 nan 8.380 nan 0.000 0.488 221 Y N -0.439 119.932 120.300 0.118 0.000 3.825 221 Y HA -0.280 4.271 4.550 0.000 0.000 0.221 221 Y C 1.446 177.488 175.900 0.236 0.000 1.195 221 Y CA 0.947 59.147 58.100 0.167 0.000 1.699 221 Y CB -1.544 37.059 38.460 0.239 0.000 1.531 221 Y HN 0.480 nan 8.280 nan 0.000 0.640 222 G N 0.192 109.123 108.800 0.219 0.000 2.203 222 G HA2 -0.229 3.731 3.960 0.000 0.000 0.263 222 G HA3 -0.229 3.731 3.960 0.000 0.000 0.263 222 G C 0.176 175.173 174.900 0.162 0.000 1.012 222 G CA 0.747 45.951 45.100 0.173 0.000 0.749 222 G HN 1.401 nan 8.290 nan 0.000 0.512 223 S N -1.740 114.054 115.700 0.156 0.000 2.566 223 S HA 0.811 5.282 4.470 0.000 0.000 0.298 223 S C 0.825 175.446 174.600 0.035 0.000 1.083 223 S CA -0.131 58.103 58.200 0.055 0.000 0.978 223 S CB 1.984 65.163 63.200 -0.035 0.000 1.073 223 S HN 0.508 nan 8.310 nan 0.000 0.491 224 R N 0.777 121.278 120.500 0.001 0.000 2.394 224 R HA 0.325 4.665 4.340 0.000 0.000 0.220 224 R C 0.388 176.674 176.300 -0.022 0.000 0.887 224 R CA -0.279 55.821 56.100 -0.000 0.000 1.034 224 R CB 0.054 30.356 30.300 0.003 0.000 1.179 224 R HN 0.686 nan 8.270 nan 0.000 0.561 225 Q N 1.862 121.634 119.800 -0.047 0.000 2.353 225 Q HA 0.269 4.609 4.340 0.000 0.000 0.268 225 Q C -1.049 174.880 176.000 -0.119 0.000 1.045 225 Q CA -0.903 54.858 55.803 -0.070 0.000 0.811 225 Q CB 1.871 30.576 28.738 -0.055 0.000 1.305 225 Q HN -0.086 nan 8.270 nan 0.000 0.447 226 K N 3.464 123.768 120.400 -0.161 0.000 2.473 226 K HA -0.144 4.176 4.320 0.000 0.000 0.277 226 K C -0.866 175.593 176.600 -0.234 0.000 1.052 226 K CA 0.986 57.088 56.287 -0.307 0.000 1.114 226 K CB -0.139 32.086 32.500 -0.459 0.000 0.869 226 K HN 0.898 nan 8.250 nan 0.000 0.481 227 Y N -0.194 119.999 120.300 -0.178 0.000 4.490 227 Y HA -0.285 4.265 4.550 0.000 0.000 0.233 227 Y C 0.176 175.824 175.900 -0.419 0.000 1.101 227 Y CA 0.169 58.131 58.100 -0.230 0.000 2.010 227 Y CB -1.549 36.890 38.460 -0.035 0.000 1.622 227 Y HN 0.466 nan 8.280 nan 0.000 0.675 228 S N 1.217 116.687 115.700 -0.383 0.000 2.475 228 S HA 0.262 4.732 4.470 0.000 0.000 0.249 228 S C -0.251 174.141 174.600 -0.346 0.000 1.298 228 S CA -0.635 57.406 58.200 -0.266 0.000 1.125 228 S CB 0.013 63.148 63.200 -0.109 0.000 1.054 228 S HN 0.263 nan 8.310 nan 0.000 0.484 229 H N 3.740 122.863 119.070 0.089 0.000 2.882 229 H HA 0.207 4.763 4.556 -0.000 0.000 0.258 229 H C 0.859 176.226 175.328 0.064 0.000 1.579 229 H CA -0.165 55.936 56.048 0.089 0.000 1.340 229 H CB 0.295 30.114 29.762 0.094 0.000 1.645 229 H HN 0.698 nan 8.280 nan 0.000 0.541 230 E N 0.999 121.265 120.200 0.111 0.000 2.152 230 E HA -0.062 4.288 4.350 0.000 0.000 0.192 230 E C 0.642 177.291 176.600 0.082 0.000 0.983 230 E CA 0.737 57.184 56.400 0.077 0.000 0.818 230 E CB 0.508 30.235 29.700 0.045 0.000 0.758 230 E HN 0.268 nan 8.360 nan 0.000 0.467 231 T N -0.461 114.153 114.554 0.101 0.000 2.864 231 T HA 0.257 4.607 4.350 0.000 0.000 0.299 231 T C -1.471 173.286 174.700 0.095 0.000 1.166 231 T CA -0.868 61.279 62.100 0.079 0.000 1.007 231 T CB 1.409 70.309 68.868 0.053 0.000 1.219 231 T HN -0.213 nan 8.240 nan 0.000 0.506 232 K N 1.378 121.817 120.400 0.064 0.000 2.416 232 K HA 0.521 4.841 4.320 0.000 0.000 0.283 232 K C 0.345 176.972 176.600 0.046 0.000 1.037 232 K CA -0.095 56.226 56.287 0.056 0.000 0.995 232 K CB 0.668 33.187 32.500 0.032 0.000 0.938 232 K HN 0.661 nan 8.250 nan 0.000 0.475 233 G N 0.790 109.619 108.800 0.049 0.000 3.022 233 G HA2 0.488 4.448 3.960 0.000 0.000 0.284 233 G HA3 0.488 4.448 3.960 0.000 0.000 0.284 233 G C -1.053 173.775 174.900 -0.120 0.000 1.375 233 G CA -0.277 44.818 45.100 -0.008 0.000 0.902 233 G HN 0.486 nan 8.290 nan 0.000 0.538 234 T N -1.358 113.056 114.554 -0.233 0.000 2.645 234 T HA 0.529 4.879 4.350 0.000 0.000 0.273 234 T C -1.381 172.951 174.700 -0.612 0.000 0.960 234 T CA -0.653 61.219 62.100 -0.380 0.000 1.051 234 T CB 1.679 70.436 68.868 -0.185 0.000 1.366 234 T HN 0.548 nan 8.240 nan 0.000 0.536 235 N N 1.293 119.710 118.700 -0.472 0.000 2.524 235 N HA 0.439 5.179 4.740 0.000 0.000 0.261 235 N C -1.742 173.702 175.510 -0.111 0.000 0.998 235 N CA -0.242 52.615 53.050 -0.321 0.000 0.915 235 N CB 1.296 39.650 38.487 -0.221 0.000 1.187 235 N HN 0.414 nan 8.380 nan 0.000 0.507 236 S N 3.956 119.624 115.700 -0.053 0.000 2.381 236 S HA 0.463 4.933 4.470 0.000 0.000 0.193 236 S C -0.991 173.631 174.600 0.037 0.000 1.287 236 S CA -0.697 57.503 58.200 -0.000 0.000 1.199 236 S CB -0.017 63.181 63.200 -0.003 0.000 1.214 236 S HN 0.575 nan 8.310 nan 0.000 0.444 237 R N 1.335 121.869 120.500 0.056 0.000 2.873 237 R HA 0.628 4.968 4.340 0.000 0.000 0.264 237 R C -1.247 175.106 176.300 0.089 0.000 1.026 237 R CA -1.069 55.079 56.100 0.079 0.000 1.002 237 R CB 1.324 31.674 30.300 0.084 0.000 1.174 237 R HN 0.407 nan 8.270 nan 0.000 0.488 238 L N 1.984 123.269 121.223 0.103 0.000 2.265 238 L HA 0.280 4.620 4.340 0.000 0.000 0.289 238 L C -0.933 175.977 176.870 0.066 0.000 1.033 238 L CA -0.380 54.517 54.840 0.095 0.000 0.814 238 L CB 0.872 43.010 42.059 0.132 0.000 1.203 238 L HN 0.433 nan 8.230 nan 0.000 0.423 239 D N 3.966 124.397 120.400 0.051 0.000 2.472 239 D HA -0.031 4.609 4.640 0.000 0.000 0.237 239 D C 1.019 177.339 176.300 0.034 0.000 1.141 239 D CA 0.050 54.081 54.000 0.053 0.000 0.875 239 D CB 0.876 41.706 40.800 0.049 0.000 1.192 239 D HN 0.553 nan 8.370 nan 0.000 0.450 240 E N 1.511 121.750 120.200 0.065 0.000 2.049 240 E HA -0.231 4.119 4.350 0.000 0.000 0.198 240 E C 1.852 178.470 176.600 0.030 0.000 1.007 240 E CA 0.862 57.294 56.400 0.053 0.000 0.809 240 E CB -0.194 29.557 29.700 0.085 0.000 0.749 240 E HN 0.559 nan 8.360 nan 0.000 0.450 241 M N 0.557 120.194 119.600 0.061 0.000 2.108 241 M HA -0.266 4.215 4.480 0.000 0.000 0.257 241 M C 2.028 178.330 176.300 0.002 0.000 1.071 241 M CA 1.606 56.933 55.300 0.044 0.000 1.093 241 M CB 0.102 32.729 32.600 0.045 0.000 1.345 241 M HN -0.021 nan 8.290 nan 0.000 0.403 242 Q N -0.507 119.275 119.800 -0.031 0.000 2.137 242 Q HA 0.009 4.349 4.340 0.000 0.000 0.198 242 Q C 2.175 178.018 176.000 -0.262 0.000 0.960 242 Q CA 1.600 57.337 55.803 -0.110 0.000 0.847 242 Q CB -0.677 28.004 28.738 -0.094 0.000 0.915 242 Q HN 0.663 nan 8.270 nan 0.000 0.448 243 A N 1.490 124.169 122.820 -0.235 0.000 1.902 243 A HA -0.116 4.204 4.320 0.000 0.000 0.217 243 A C 2.367 179.781 177.584 -0.284 0.000 1.181 243 A CA 2.007 53.826 52.037 -0.363 0.000 0.623 243 A CB -0.769 18.151 19.000 -0.133 0.000 0.818 243 A HN 0.351 nan 8.150 nan 0.000 0.443 244 A N -0.501 122.243 122.820 -0.126 0.000 1.873 244 A HA -0.113 4.207 4.320 0.000 0.000 0.218 244 A C 2.264 179.790 177.584 -0.097 0.000 1.193 244 A CA 2.139 54.137 52.037 -0.065 0.000 0.629 244 A CB -1.153 17.841 19.000 -0.010 0.000 0.826 244 A HN 0.463 nan 8.150 nan 0.000 0.447 245 V N 0.008 119.854 119.914 -0.113 0.000 2.295 245 V HA -0.266 3.854 4.120 0.000 0.000 0.246 245 V C 2.584 178.521 176.094 -0.261 0.000 1.049 245 V CA 2.006 64.235 62.300 -0.118 0.000 1.024 245 V CB -0.804 30.967 31.823 -0.087 0.000 0.648 245 V HN 0.572 nan 8.190 nan 0.000 0.447 246 L N -0.518 120.432 121.223 -0.455 0.000 2.079 246 L HA -0.227 4.113 4.340 0.000 0.000 0.210 246 L C 2.748 179.390 176.870 -0.380 0.000 1.081 246 L CA 1.731 56.162 54.840 -0.682 0.000 0.752 246 L CB -0.637 40.533 42.059 -1.481 0.000 0.896 246 L HN 0.267 nan 8.230 nan 0.000 0.433 247 R N -0.310 120.069 120.500 -0.203 0.000 2.081 247 R HA -0.154 4.186 4.340 0.000 0.000 0.235 247 R C 2.222 178.505 176.300 -0.028 0.000 1.131 247 R CA 1.152 57.268 56.100 0.025 0.000 0.960 247 R CB -0.321 30.016 30.300 0.063 0.000 0.856 247 R HN 0.247 nan 8.270 nan 0.000 0.436 248 I N 0.961 121.488 120.570 -0.071 0.000 2.142 248 I HA -0.242 3.928 4.170 0.000 0.000 0.240 248 I C 2.370 178.428 176.117 -0.098 0.000 1.078 248 I CA 1.479 62.747 61.300 -0.054 0.000 1.343 248 I CB -1.091 36.868 38.000 -0.069 0.000 1.046 248 I HN 0.169 nan 8.210 nan 0.000 0.405 249 R N 0.475 120.842 120.500 -0.222 0.000 2.091 249 R HA -0.192 4.148 4.340 0.000 0.000 0.238 249 R C 2.230 178.359 176.300 -0.286 0.000 1.136 249 R CA 1.086 56.975 56.100 -0.352 0.000 0.959 249 R CB -0.994 29.093 30.300 -0.355 0.000 0.856 249 R HN 0.275 nan 8.270 nan 0.000 0.437 250 L N 1.128 122.232 121.223 -0.199 0.000 2.079 250 L HA -0.114 4.226 4.340 0.000 0.000 0.210 250 L C 2.266 179.027 176.870 -0.182 0.000 1.081 250 L CA 1.938 56.656 54.840 -0.203 0.000 0.752 250 L CB -0.704 41.306 42.059 -0.083 0.000 0.896 250 L HN 0.142 nan 8.230 nan 0.000 0.433 251 A N -1.897 120.867 122.820 -0.095 0.000 2.070 251 A HA -0.209 4.111 4.320 0.000 0.000 0.220 251 A C 1.941 179.366 177.584 -0.265 0.000 1.159 251 A CA 1.709 53.681 52.037 -0.109 0.000 0.656 251 A CB -0.820 18.152 19.000 -0.047 0.000 0.800 251 A HN 0.740 nan 8.150 nan 0.000 0.453 252 H N -2.039 116.827 119.070 -0.340 0.000 2.652 252 H HA 0.132 4.688 4.556 0.000 0.000 0.274 252 H C 1.650 176.717 175.328 -0.434 0.000 1.021 252 H CA 0.202 55.965 56.048 -0.475 0.000 1.187 252 H CB 0.344 29.548 29.762 -0.929 0.000 1.505 252 H HN 0.409 nan 8.280 nan 0.000 0.530 253 L N 1.643 122.754 121.223 -0.187 0.000 1.990 253 L HA -0.202 4.138 4.340 0.000 0.000 0.213 253 L C 1.648 178.595 176.870 0.129 0.000 1.072 253 L CA 1.887 56.701 54.840 -0.043 0.000 0.755 253 L CB -0.401 41.581 42.059 -0.128 0.000 0.889 253 L HN 0.083 nan 8.230 nan 0.000 0.432 254 D N -1.098 119.397 120.400 0.158 0.000 2.149 254 D HA -0.181 4.459 4.640 0.000 0.000 0.198 254 D C 2.399 178.799 176.300 0.166 0.000 0.990 254 D CA 1.521 55.633 54.000 0.187 0.000 0.839 254 D CB -0.215 40.684 40.800 0.166 0.000 0.948 254 D HN 0.564 nan 8.370 nan 0.000 0.460 255 S N -0.322 115.460 115.700 0.138 0.000 2.355 255 S HA -0.160 4.310 4.470 0.000 0.000 0.222 255 S C 1.978 176.781 174.600 0.338 0.000 1.031 255 S CA 0.707 59.023 58.200 0.193 0.000 0.993 255 S CB -0.530 62.772 63.200 0.171 0.000 0.859 255 S HN 0.214 nan 8.310 nan 0.000 0.453 256 W N 2.489 123.828 121.300 0.066 0.000 2.358 256 W HA 0.121 4.781 4.660 -0.000 0.000 0.303 256 W C 2.406 178.951 176.519 0.043 0.000 1.208 256 W CA 0.584 57.941 57.345 0.020 0.000 1.274 256 W CB -1.536 27.930 29.460 0.009 0.000 1.138 256 W HN 0.361 nan 8.180 nan 0.000 0.515 257 N N -0.408 118.487 118.700 0.324 0.000 2.166 257 N HA -0.118 4.622 4.740 0.000 0.000 0.186 257 N C 2.005 177.648 175.510 0.223 0.000 1.019 257 N CA 1.919 55.129 53.050 0.266 0.000 0.856 257 N CB -1.149 37.497 38.487 0.265 0.000 0.993 257 N HN 0.195 nan 8.380 nan 0.000 0.426 258 G N 0.747 109.662 108.800 0.191 0.000 2.432 258 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 258 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 258 G C 1.638 176.598 174.900 0.100 0.000 1.135 258 G CA 0.376 45.563 45.100 0.145 0.000 0.767 258 G HN 0.327 nan 8.290 nan 0.000 0.550 259 R N 0.077 120.626 120.500 0.082 0.000 2.092 259 R HA 0.020 4.360 4.340 0.000 0.000 0.231 259 R C 2.748 179.034 176.300 -0.022 0.000 1.119 259 R CA 1.031 57.130 56.100 -0.002 0.000 0.970 259 R CB -0.250 30.006 30.300 -0.074 0.000 0.864 259 R HN 0.308 nan 8.270 nan 0.000 0.440 260 R N 0.212 120.739 120.500 0.044 0.000 2.075 260 R HA -0.002 4.338 4.340 0.000 0.000 0.232 260 R C 2.404 178.711 176.300 0.013 0.000 1.126 260 R CA 1.481 57.617 56.100 0.060 0.000 0.963 260 R CB -0.257 30.166 30.300 0.206 0.000 0.858 260 R HN 0.073 nan 8.270 nan 0.000 0.435 261 S N 1.078 116.854 115.700 0.127 0.000 2.370 261 S HA -0.177 4.293 4.470 0.000 0.000 0.226 261 S C 2.133 176.682 174.600 -0.084 0.000 1.033 261 S CA 1.311 59.564 58.200 0.088 0.000 1.011 261 S CB -0.245 63.113 63.200 0.263 0.000 0.852 261 S HN 0.495 nan 8.310 nan 0.000 0.457 262 A N 1.580 124.363 122.820 -0.061 0.000 1.858 262 A HA -0.040 4.280 4.320 0.000 0.000 0.216 262 A C 2.140 179.594 177.584 -0.218 0.000 1.190 262 A CA 1.299 53.271 52.037 -0.108 0.000 0.617 262 A CB -0.871 18.078 19.000 -0.085 0.000 0.827 262 A HN 0.438 nan 8.150 nan 0.000 0.443 263 L N -0.622 120.449 121.223 -0.254 0.000 2.043 263 L HA -0.268 4.072 4.340 0.000 0.000 0.212 263 L C 3.101 179.647 176.870 -0.539 0.000 1.075 263 L CA 1.286 55.882 54.840 -0.406 0.000 0.752 263 L CB -0.563 41.297 42.059 -0.332 0.000 0.891 263 L HN 0.454 nan 8.230 nan 0.000 0.432 264 A N -0.198 122.319 122.820 -0.505 0.000 1.940 264 A HA -0.197 4.123 4.320 0.000 0.000 0.219 264 A C 2.504 179.816 177.584 -0.453 0.000 1.176 264 A CA 1.826 53.439 52.037 -0.707 0.000 0.631 264 A CB -0.728 17.308 19.000 -1.606 0.000 0.814 264 A HN 0.430 nan 8.150 nan 0.000 0.446 265 A N -0.822 121.813 122.820 -0.310 0.000 1.969 265 A HA -0.111 4.209 4.320 0.000 0.000 0.218 265 A C 2.004 179.486 177.584 -0.169 0.000 1.169 265 A CA 1.483 53.429 52.037 -0.152 0.000 0.635 265 A CB -0.359 18.589 19.000 -0.086 0.000 0.810 265 A HN 0.516 nan 8.150 nan 0.000 0.445 266 E N -0.824 119.206 120.200 -0.283 0.000 2.031 266 E HA -0.186 4.164 4.350 0.000 0.000 0.193 266 E C 1.857 178.278 176.600 -0.298 0.000 0.994 266 E CA 1.339 57.553 56.400 -0.310 0.000 0.800 266 E CB -0.375 29.060 29.700 -0.443 0.000 0.752 266 E HN 0.726 nan 8.360 nan 0.000 0.447 267 Y N 1.042 121.090 120.300 -0.420 0.000 2.128 267 Y HA -0.185 4.365 4.550 0.000 0.000 0.284 267 Y C 2.473 178.250 175.900 -0.206 0.000 1.154 267 Y CA 0.920 58.724 58.100 -0.494 0.000 1.149 267 Y CB -0.731 36.931 38.460 -1.331 0.000 0.976 267 Y HN 0.007 nan 8.280 nan 0.000 0.505 268 L N -0.679 120.574 121.223 0.049 0.000 2.042 268 L HA -0.268 4.072 4.340 0.000 0.000 0.210 268 L C 2.658 179.586 176.870 0.097 0.000 1.076 268 L CA 1.878 56.816 54.840 0.164 0.000 0.749 268 L CB -0.838 41.330 42.059 0.182 0.000 0.893 268 L HN 0.295 nan 8.230 nan 0.000 0.432 269 S N -0.162 115.558 115.700 0.034 0.000 2.345 269 S HA -0.087 4.383 4.470 0.000 0.000 0.219 269 S C 2.110 176.727 174.600 0.028 0.000 1.031 269 S CA 0.868 59.083 58.200 0.026 0.000 0.984 269 S CB -0.974 62.226 63.200 0.001 0.000 0.874 269 S HN 0.377 nan 8.310 nan 0.000 0.451 270 G N 1.072 109.877 108.800 0.009 0.000 2.498 270 G HA2 0.069 4.029 3.960 0.000 0.000 0.219 270 G HA3 0.069 4.029 3.960 0.000 0.000 0.219 270 G C 1.231 176.169 174.900 0.063 0.000 1.119 270 G CA 0.782 45.894 45.100 0.020 0.000 0.766 270 G HN 0.566 nan 8.290 nan 0.000 0.552 271 L N 0.207 121.487 121.223 0.095 0.000 2.808 271 L HA 0.427 4.767 4.340 0.000 0.000 0.246 271 L C 1.371 178.305 176.870 0.107 0.000 1.153 271 L CA -0.558 54.353 54.840 0.118 0.000 0.956 271 L CB 0.326 42.481 42.059 0.161 0.000 1.270 271 L HN 0.141 nan 8.230 nan 0.000 0.528 272 A N 0.127 123.001 122.820 0.090 0.000 2.445 272 A HA 0.468 4.788 4.320 0.000 0.000 0.242 272 A C 1.469 179.091 177.584 0.064 0.000 1.075 272 A CA 0.843 52.928 52.037 0.080 0.000 0.777 272 A CB 0.081 19.121 19.000 0.066 0.000 1.013 272 A HN 0.533 nan 8.150 nan 0.000 0.493 273 G N 0.617 109.453 108.800 0.059 0.000 2.708 273 G HA2 -0.258 3.702 3.960 0.000 0.000 0.229 273 G HA3 -0.258 3.702 3.960 0.000 0.000 0.229 273 G C 0.459 175.387 174.900 0.046 0.000 1.236 273 G CA 0.193 45.321 45.100 0.046 0.000 0.749 273 G HN 1.200 nan 8.290 nan 0.000 0.515 274 L N 2.859 124.116 121.223 0.057 0.000 2.884 274 L HA 0.063 4.403 4.340 0.000 0.000 0.294 274 L C -1.672 175.229 176.870 0.051 0.000 1.164 274 L CA -0.459 54.416 54.840 0.059 0.000 0.918 274 L CB -0.166 41.946 42.059 0.089 0.000 1.281 274 L HN 0.161 nan 8.230 nan 0.000 0.478 275 P HA 0.113 nan 4.420 nan 0.000 0.276 275 P C 0.849 178.166 177.300 0.029 0.000 1.230 275 P CA 0.521 63.631 63.100 0.018 0.000 0.776 275 P CB 1.308 33.003 31.700 -0.008 0.000 0.888 276 G N 2.692 111.514 108.800 0.036 0.000 2.179 276 G HA2 -0.197 3.763 3.960 0.000 0.000 0.260 276 G HA3 -0.197 3.763 3.960 0.000 0.000 0.260 276 G C 0.054 175.018 174.900 0.107 0.000 0.977 276 G CA -0.371 44.765 45.100 0.060 0.000 0.641 276 G HN 0.495 nan 8.290 nan 0.000 0.533 277 I N 1.986 122.617 120.570 0.103 0.000 2.390 277 I HA 0.481 4.651 4.170 0.000 0.000 0.283 277 I C 0.949 177.112 176.117 0.076 0.000 1.016 277 I CA -0.357 61.011 61.300 0.112 0.000 1.151 277 I CB 0.750 38.833 38.000 0.139 0.000 1.293 277 I HN 0.130 nan 8.210 nan 0.000 0.458 278 G N 7.205 116.032 108.800 0.047 0.000 2.353 278 G HA2 0.619 4.579 3.960 0.000 0.000 0.284 278 G HA3 0.619 4.579 3.960 0.000 0.000 0.284 278 G C -0.346 174.571 174.900 0.029 0.000 1.172 278 G CA -0.370 44.746 45.100 0.025 0.000 0.854 278 G HN 0.480 nan 8.290 nan 0.000 0.485 279 L N 2.581 123.835 121.223 0.051 0.000 2.332 279 L HA 0.487 4.828 4.340 0.000 0.000 0.269 279 L C -1.881 175.018 176.870 0.048 0.000 1.016 279 L CA -2.186 52.692 54.840 0.063 0.000 0.809 279 L CB 1.979 44.127 42.059 0.148 0.000 1.280 279 L HN 0.318 nan 8.230 nan 0.000 0.447 280 P HA 0.134 nan 4.420 nan 0.000 0.276 280 P C -0.869 176.531 177.300 0.167 0.000 1.235 280 P CA -0.199 62.942 63.100 0.068 0.000 0.772 280 P CB 0.948 32.697 31.700 0.082 0.000 0.871 281 V N 3.177 123.171 119.914 0.133 0.000 2.259 281 V HA 0.153 4.274 4.120 0.000 0.000 0.267 281 V C 0.934 177.133 176.094 0.176 0.000 1.051 281 V CA -0.630 61.764 62.300 0.156 0.000 0.830 281 V CB 0.215 32.112 31.823 0.122 0.000 1.080 281 V HN 0.714 nan 8.190 nan 0.000 0.467 282 T N 2.601 117.289 114.554 0.224 0.000 2.908 282 T HA 0.468 4.818 4.350 0.000 0.000 0.301 282 T C 0.478 175.214 174.700 0.061 0.000 1.019 282 T CA 0.104 62.339 62.100 0.227 0.000 1.152 282 T CB 0.940 70.016 68.868 0.346 0.000 0.966 282 T HN 0.933 nan 8.240 nan 0.000 0.540 283 A N 5.746 128.489 122.820 -0.128 0.000 2.425 283 A HA 0.573 4.893 4.320 0.000 0.000 0.242 283 A C -1.743 175.781 177.584 -0.101 0.000 1.077 283 A CA -1.499 50.361 52.037 -0.294 0.000 0.781 283 A CB -0.425 18.189 19.000 -0.642 0.000 1.020 283 A HN 0.820 nan 8.150 nan 0.000 0.494 284 P HA 0.246 nan 4.420 nan 0.000 0.274 284 P C -0.851 176.387 177.300 -0.103 0.000 1.237 284 P CA 0.062 63.125 63.100 -0.063 0.000 0.793 284 P CB 0.349 32.015 31.700 -0.057 0.000 0.977 285 D N -2.023 118.318 120.400 -0.099 0.000 2.800 285 D HA -0.112 4.528 4.640 0.000 0.000 0.232 285 D C -0.137 176.046 176.300 -0.195 0.000 1.137 285 D CA 1.481 55.378 54.000 -0.171 0.000 0.718 285 D CB -2.262 38.367 40.800 -0.285 0.000 1.084 285 D HN 0.665 nan 8.370 nan 0.000 0.432 286 T N -2.961 111.548 114.554 -0.075 0.000 2.916 286 T HA 0.495 4.845 4.350 0.000 0.000 0.305 286 T C -1.124 173.596 174.700 0.033 0.000 1.119 286 T CA -0.951 61.139 62.100 -0.018 0.000 1.008 286 T CB 2.836 71.739 68.868 0.060 0.000 1.129 286 T HN -0.129 nan 8.240 nan 0.000 0.480 287 D N 4.226 124.645 120.400 0.032 0.000 2.458 287 D HA 0.297 4.937 4.640 0.000 0.000 0.258 287 D C -2.411 173.898 176.300 0.015 0.000 1.134 287 D CA -1.125 52.906 54.000 0.050 0.000 0.915 287 D CB 1.635 42.464 40.800 0.047 0.000 1.028 287 D HN 0.403 nan 8.370 nan 0.000 0.508 288 P HA -0.015 nan 4.420 nan 0.000 0.272 288 P C 0.887 178.027 177.300 -0.266 0.000 1.230 288 P CA -0.311 62.588 63.100 -0.334 0.000 0.788 288 P CB 1.166 32.349 31.700 -0.862 0.000 0.949 289 V N -4.145 115.614 119.914 -0.260 0.000 3.176 289 V HA 0.287 4.407 4.120 0.000 0.000 0.332 289 V C -0.198 175.991 176.094 0.158 0.000 1.414 289 V CA -0.733 61.591 62.300 0.041 0.000 1.133 289 V CB -1.859 30.064 31.823 0.167 0.000 1.088 289 V HN 0.538 nan 8.190 nan 0.000 0.473 290 W N 1.026 122.358 121.300 0.054 0.000 7.223 290 W HA -0.273 4.387 4.660 -0.000 0.000 0.419 290 W C 1.615 178.224 176.519 0.149 0.000 1.661 290 W CA 1.222 58.633 57.345 0.109 0.000 1.173 290 W CB -2.414 27.150 29.460 0.174 0.000 2.887 290 W HN 0.705 nan 8.180 nan 0.000 1.606 291 H N -0.040 119.151 119.070 0.202 0.000 2.422 291 H HA 0.066 4.622 4.556 0.000 0.000 0.298 291 H C 0.766 176.200 175.328 0.177 0.000 1.098 291 H CA 2.257 58.425 56.048 0.198 0.000 1.315 291 H CB 0.196 30.071 29.762 0.187 0.000 1.382 291 H HN 0.303 nan 8.280 nan 0.000 0.523 292 L N -0.229 121.033 121.223 0.065 0.000 2.455 292 L HA 0.214 4.554 4.340 0.000 0.000 0.264 292 L C -1.424 175.537 176.870 0.152 0.000 0.968 292 L CA -1.020 53.790 54.840 -0.050 0.000 0.827 292 L CB 2.370 44.284 42.059 -0.241 0.000 1.317 292 L HN 0.036 nan 8.230 nan 0.000 0.407 293 F N 2.583 122.550 119.950 0.029 0.000 2.313 293 F HA 0.423 4.950 4.527 -0.000 0.000 0.369 293 F C 0.521 176.274 175.800 -0.078 0.000 1.109 293 F CA -0.442 57.596 58.000 0.063 0.000 1.132 293 F CB 0.969 39.908 39.000 -0.102 0.000 1.291 293 F HN 0.447 nan 8.300 nan 0.000 0.496 294 T N 3.433 117.666 114.554 -0.535 0.000 2.902 294 T HA 0.733 5.083 4.350 0.000 0.000 0.283 294 T C -0.378 174.141 174.700 -0.301 0.000 1.009 294 T CA -0.612 61.271 62.100 -0.363 0.000 1.051 294 T CB 1.589 70.199 68.868 -0.430 0.000 0.999 294 T HN 0.573 nan 8.240 nan 0.000 0.474 295 V N 0.074 119.923 119.914 -0.109 0.000 2.962 295 V HA 0.843 4.963 4.120 0.000 0.000 0.313 295 V C -0.854 175.229 176.094 -0.019 0.000 1.099 295 V CA -1.422 60.854 62.300 -0.040 0.000 0.971 295 V CB 1.921 33.757 31.823 0.022 0.000 1.028 295 V HN 1.046 nan 8.190 nan 0.000 0.430 296 R N 0.995 121.485 120.500 -0.016 0.000 2.686 296 R HA 0.847 5.187 4.340 0.000 0.000 0.286 296 R C -0.919 175.383 176.300 0.004 0.000 0.969 296 R CA -0.359 55.723 56.100 -0.029 0.000 0.898 296 R CB 2.243 32.478 30.300 -0.109 0.000 1.183 296 R HN 1.053 nan 8.270 nan 0.000 0.456 297 T N 0.617 115.180 114.554 0.015 0.000 2.830 297 T HA 0.171 4.521 4.350 0.000 0.000 0.322 297 T C -1.592 173.153 174.700 0.075 0.000 1.501 297 T CA -0.689 61.454 62.100 0.071 0.000 1.036 297 T CB 1.454 70.405 68.868 0.138 0.000 1.379 297 T HN 0.543 nan 8.240 nan 0.000 0.493 298 E N 1.491 121.757 120.200 0.111 0.000 2.301 298 E HA 0.530 4.880 4.350 0.000 0.000 0.275 298 E C -0.022 176.687 176.600 0.183 0.000 1.030 298 E CA -0.457 56.005 56.400 0.103 0.000 0.852 298 E CB 0.580 30.328 29.700 0.080 0.000 1.060 298 E HN 0.592 nan 8.360 nan 0.000 0.401 299 R N 1.305 121.893 120.500 0.147 0.000 3.515 299 R HA -0.196 4.144 4.340 0.000 0.000 0.292 299 R C 1.222 177.582 176.300 0.101 0.000 1.148 299 R CA 0.174 56.396 56.100 0.203 0.000 0.786 299 R CB -1.275 29.244 30.300 0.365 0.000 1.327 299 R HN 0.479 nan 8.270 nan 0.000 0.454 300 R N 1.682 122.188 120.500 0.009 0.000 2.091 300 R HA -0.158 4.182 4.340 0.000 0.000 0.238 300 R C 0.826 177.041 176.300 -0.141 0.000 1.136 300 R CA 2.276 58.317 56.100 -0.098 0.000 0.959 300 R CB -0.052 30.223 30.300 -0.042 0.000 0.856 300 R HN 0.289 nan 8.270 nan 0.000 0.437 301 D N 0.793 121.158 120.400 -0.058 0.000 2.123 301 D HA -0.165 4.475 4.640 0.000 0.000 0.196 301 D C 1.838 178.101 176.300 -0.062 0.000 0.992 301 D CA 1.421 55.392 54.000 -0.049 0.000 0.833 301 D CB -0.175 40.621 40.800 -0.007 0.000 0.954 301 D HN 0.505 nan 8.370 nan 0.000 0.455 302 E N -0.140 120.048 120.200 -0.020 0.000 2.152 302 E HA -0.111 4.239 4.350 0.000 0.000 0.192 302 E C 2.089 178.530 176.600 -0.264 0.000 0.983 302 E CA 0.155 56.583 56.400 0.047 0.000 0.818 302 E CB -0.019 29.879 29.700 0.329 0.000 0.758 302 E HN 0.147 nan 8.360 nan 0.000 0.467 303 L N 1.395 122.180 121.223 -0.731 0.000 2.056 303 L HA -0.125 4.215 4.340 0.000 0.000 0.207 303 L C 2.434 179.004 176.870 -0.501 0.000 1.078 303 L CA 1.672 55.755 54.840 -1.262 0.000 0.749 303 L CB -0.254 40.906 42.059 -1.498 0.000 0.901 303 L HN -0.110 nan 8.230 nan 0.000 0.433 304 R N -0.789 119.527 120.500 -0.306 0.000 2.083 304 R HA -0.160 4.180 4.340 0.000 0.000 0.237 304 R C 2.247 178.482 176.300 -0.109 0.000 1.137 304 R CA 1.927 57.927 56.100 -0.167 0.000 0.951 304 R CB -0.435 29.788 30.300 -0.129 0.000 0.851 304 R HN 0.449 nan 8.270 nan 0.000 0.434 305 S N -0.400 115.253 115.700 -0.078 0.000 2.370 305 S HA -0.217 4.253 4.470 0.000 0.000 0.226 305 S C 1.660 176.258 174.600 -0.003 0.000 1.033 305 S CA 1.597 59.783 58.200 -0.023 0.000 1.011 305 S CB -0.553 62.657 63.200 0.017 0.000 0.852 305 S HN 0.579 nan 8.310 nan 0.000 0.457 306 H N 1.741 120.761 119.070 -0.083 0.000 2.319 306 H HA -0.009 4.547 4.556 0.000 0.000 0.299 306 H C 1.825 177.137 175.328 -0.026 0.000 1.092 306 H CA 1.780 57.816 56.048 -0.021 0.000 1.302 306 H CB -0.443 29.312 29.762 -0.010 0.000 1.373 306 H HN 0.289 nan 8.280 nan 0.000 0.497 307 L N -0.239 120.907 121.223 -0.128 0.000 2.083 307 L HA -0.136 4.204 4.340 0.000 0.000 0.209 307 L C 2.391 179.187 176.870 -0.123 0.000 1.083 307 L CA 1.387 56.143 54.840 -0.140 0.000 0.752 307 L CB -0.576 41.450 42.059 -0.055 0.000 0.899 307 L HN 0.360 nan 8.230 nan 0.000 0.433 308 D N 0.766 121.113 120.400 -0.089 0.000 2.092 308 D HA -0.206 4.434 4.640 0.000 0.000 0.193 308 D C 2.178 178.436 176.300 -0.070 0.000 0.994 308 D CA 1.734 55.697 54.000 -0.060 0.000 0.828 308 D CB 0.120 40.894 40.800 -0.045 0.000 0.963 308 D HN 0.232 nan 8.370 nan 0.000 0.450 309 A N 0.427 123.194 122.820 -0.089 0.000 2.024 309 A HA -0.148 4.172 4.320 0.000 0.000 0.220 309 A C 2.049 179.564 177.584 -0.114 0.000 1.164 309 A CA 1.103 53.090 52.037 -0.083 0.000 0.643 309 A CB -0.334 18.628 19.000 -0.064 0.000 0.806 309 A HN 0.120 nan 8.150 nan 0.000 0.451 310 R N -1.006 119.384 120.500 -0.183 0.000 2.320 310 R HA 0.132 4.472 4.340 0.000 0.000 0.211 310 R C 1.089 177.342 176.300 -0.078 0.000 0.931 310 R CA 0.630 56.635 56.100 -0.157 0.000 1.071 310 R CB -0.788 29.365 30.300 -0.245 0.000 1.025 310 R HN 0.814 nan 8.270 nan 0.000 0.495 311 G N 1.685 110.450 108.800 -0.058 0.000 2.198 311 G HA2 -0.263 3.697 3.960 0.000 0.000 0.257 311 G HA3 -0.263 3.697 3.960 0.000 0.000 0.257 311 G C -0.008 174.885 174.900 -0.012 0.000 1.042 311 G CA -0.016 45.068 45.100 -0.027 0.000 0.791 311 G HN 0.304 nan 8.290 nan 0.000 0.502 312 I N 0.423 120.984 120.570 -0.016 0.000 2.406 312 I HA 0.313 4.483 4.170 0.000 0.000 0.290 312 I C -0.770 175.365 176.117 0.030 0.000 0.999 312 I CA -0.950 60.358 61.300 0.013 0.000 1.124 312 I CB 1.653 39.658 38.000 0.009 0.000 1.289 312 I HN -0.117 nan 8.210 nan 0.000 0.441 313 D N 4.486 124.931 120.400 0.074 0.000 2.317 313 D HA 0.378 5.018 4.640 0.000 0.000 0.252 313 D C -0.144 176.266 176.300 0.182 0.000 1.174 313 D CA 0.426 54.489 54.000 0.105 0.000 0.866 313 D CB 1.476 42.362 40.800 0.144 0.000 1.127 313 D HN 0.373 nan 8.370 nan 0.000 0.467 314 T N 1.815 116.402 114.554 0.056 0.000 2.887 314 T HA 0.783 5.133 4.350 0.000 0.000 0.292 314 T C -0.721 173.800 174.700 -0.298 0.000 1.087 314 T CA -0.551 61.549 62.100 -0.000 0.000 1.009 314 T CB 1.039 69.899 68.868 -0.014 0.000 1.203 314 T HN 0.150 nan 8.240 nan 0.000 0.518 315 L N 0.541 121.492 121.223 -0.453 0.000 2.540 315 L HA 0.531 4.871 4.340 0.000 0.000 0.256 315 L C -0.819 175.816 176.870 -0.391 0.000 1.001 315 L CA -0.941 53.563 54.840 -0.560 0.000 0.843 315 L CB 2.812 44.313 42.059 -0.930 0.000 1.436 315 L HN 0.533 nan 8.230 nan 0.000 0.410 316 T N -0.485 113.807 114.554 -0.438 0.000 2.770 316 T HA 0.449 4.799 4.350 0.000 0.000 0.283 316 T C -1.041 173.312 174.700 -0.578 0.000 0.988 316 T CA -0.436 61.471 62.100 -0.321 0.000 0.957 316 T CB 0.370 69.139 68.868 -0.164 0.000 0.930 316 T HN 0.373 nan 8.240 nan 0.000 0.443 317 H N 2.912 121.794 119.070 -0.312 0.000 2.697 317 H HA 0.481 5.037 4.556 -0.000 0.000 0.270 317 H C -1.127 173.952 175.328 -0.415 0.000 1.188 317 H CA -0.344 55.208 56.048 -0.827 0.000 1.322 317 H CB 0.150 29.358 29.762 -0.923 0.000 1.405 317 H HN 0.544 nan 8.280 nan 0.000 0.502 318 Y N 1.621 122.053 120.300 0.219 0.000 2.545 318 Y HA 0.243 4.793 4.550 0.000 0.000 0.348 318 Y C -1.661 174.277 175.900 0.064 0.000 1.002 318 Y CA -2.674 55.476 58.100 0.083 0.000 1.039 318 Y CB 1.785 40.291 38.460 0.077 0.000 1.271 318 Y HN 0.357 nan 8.280 nan 0.000 0.467 319 P HA -0.087 nan 4.420 nan 0.000 0.218 319 P C -0.141 177.203 177.300 0.073 0.000 1.149 319 P CA 1.231 64.375 63.100 0.073 0.000 0.817 319 P CB 0.645 32.359 31.700 0.023 0.000 0.785 320 V N 1.820 121.776 119.914 0.070 0.000 2.588 320 V HA 0.320 4.440 4.120 0.000 0.000 0.304 320 V C -2.420 173.667 176.094 -0.011 0.000 1.042 320 V CA -2.143 60.161 62.300 0.006 0.000 0.877 320 V CB 2.018 33.813 31.823 -0.047 0.000 0.996 320 V HN -0.091 nan 8.190 nan 0.000 0.425 321 P HA 0.158 nan 4.420 nan 0.000 0.271 321 P C 1.112 178.295 177.300 -0.195 0.000 1.216 321 P CA 0.053 63.153 63.100 0.000 0.000 0.776 321 P CB 1.020 32.804 31.700 0.139 0.000 0.881 322 V N 2.899 122.628 119.914 -0.308 0.000 2.250 322 V HA -0.335 3.785 4.120 0.000 0.000 0.253 322 V C 2.566 178.299 176.094 -0.602 0.000 1.065 322 V CA 2.553 64.441 62.300 -0.688 0.000 1.039 322 V CB -1.852 29.054 31.823 -1.527 0.000 0.647 322 V HN 0.771 nan 8.190 nan 0.000 0.446 323 H N 0.699 119.476 119.070 -0.488 0.000 2.394 323 H HA -0.189 4.367 4.556 0.000 0.000 0.297 323 H C 1.853 177.145 175.328 -0.059 0.000 1.113 323 H CA 2.120 58.074 56.048 -0.156 0.000 1.277 323 H CB -0.775 29.044 29.762 0.096 0.000 1.370 323 H HN 0.460 nan 8.280 nan 0.000 0.506 324 L N 2.197 123.059 121.223 -0.602 0.000 2.591 324 L HA 0.083 4.423 4.340 0.000 0.000 0.228 324 L C 0.865 177.613 176.870 -0.204 0.000 1.133 324 L CA 0.133 54.736 54.840 -0.395 0.000 0.880 324 L CB -0.080 41.708 42.059 -0.452 0.000 1.033 324 L HN 0.189 nan 8.230 nan 0.000 0.450 325 S N -0.813 114.777 115.700 -0.183 0.000 2.564 325 S HA 0.200 4.670 4.470 0.000 0.000 0.278 325 S C -1.636 172.916 174.600 -0.079 0.000 1.333 325 S CA -1.185 56.939 58.200 -0.127 0.000 1.048 325 S CB 0.976 64.090 63.200 -0.143 0.000 0.900 325 S HN -0.114 nan 8.310 nan 0.000 0.505 326 P HA -0.141 nan 4.420 nan 0.000 0.216 326 P C 1.601 178.850 177.300 -0.086 0.000 1.150 326 P CA 1.947 65.007 63.100 -0.066 0.000 0.843 326 P CB -0.301 31.361 31.700 -0.063 0.000 0.787 327 A N -2.024 120.723 122.820 -0.122 0.000 1.986 327 A HA -0.213 4.107 4.320 0.000 0.000 0.220 327 A C 1.690 179.070 177.584 -0.340 0.000 1.171 327 A CA 1.726 53.627 52.037 -0.227 0.000 0.640 327 A CB -1.571 17.276 19.000 -0.254 0.000 0.811 327 A HN 0.266 nan 8.150 nan 0.000 0.451 328 Y N -2.446 117.806 120.300 -0.081 0.000 2.471 328 Y HA 0.401 4.951 4.550 0.000 0.000 0.249 328 Y C 2.298 178.201 175.900 0.006 0.000 1.116 328 Y CA -0.110 57.980 58.100 -0.017 0.000 1.240 328 Y CB 0.054 38.506 38.460 -0.013 0.000 1.251 328 Y HN 0.305 nan 8.280 nan 0.000 0.527 329 A N 0.818 123.691 122.820 0.089 0.000 1.879 329 A HA -0.345 3.975 4.320 0.000 0.000 0.222 329 A C 2.395 180.026 177.584 0.079 0.000 1.368 329 A CA 2.426 54.496 52.037 0.056 0.000 0.707 329 A CB -1.522 17.480 19.000 0.003 0.000 0.846 329 A HN 0.491 nan 8.150 nan 0.000 0.468 330 G N -0.625 108.208 108.800 0.054 0.000 2.843 330 G HA2 0.107 4.067 3.960 0.000 0.000 0.205 330 G HA3 0.107 4.067 3.960 0.000 0.000 0.205 330 G C 0.918 175.868 174.900 0.082 0.000 1.160 330 G CA 1.228 46.360 45.100 0.054 0.000 0.819 330 G HN 0.921 nan 8.290 nan 0.000 0.516 331 E N -1.760 118.523 120.200 0.138 0.000 2.568 331 E HA 0.515 4.865 4.350 0.000 0.000 0.220 331 E C 1.071 177.786 176.600 0.191 0.000 0.869 331 E CA 0.115 56.613 56.400 0.163 0.000 1.268 331 E CB 0.320 30.129 29.700 0.182 0.000 1.252 331 E HN 0.200 nan 8.360 nan 0.000 0.606 332 A N 1.957 124.920 122.820 0.240 0.000 2.248 332 A HA 0.610 4.930 4.320 0.000 0.000 0.316 332 A C -2.413 175.286 177.584 0.192 0.000 1.101 332 A CA -1.612 50.576 52.037 0.253 0.000 0.875 332 A CB -0.124 19.120 19.000 0.407 0.000 1.207 332 A HN 0.010 nan 8.150 nan 0.000 0.504 333 P HA 0.162 nan 4.420 nan 0.000 0.265 333 P C -2.441 174.973 177.300 0.190 0.000 1.187 333 P CA -0.403 62.766 63.100 0.114 0.000 0.766 333 P CB -0.348 31.367 31.700 0.026 0.000 0.820 334 P HA 0.072 nan 4.420 nan 0.000 0.272 334 P C -0.125 177.287 177.300 0.188 0.000 1.240 334 P CA -0.233 62.951 63.100 0.139 0.000 0.791 334 P CB 0.469 32.218 31.700 0.081 0.000 0.978 335 E N 0.097 120.394 120.200 0.162 0.000 2.502 335 E HA 0.162 4.512 4.350 0.000 0.000 0.261 335 E C 1.087 177.766 176.600 0.132 0.000 0.974 335 E CA 1.010 57.513 56.400 0.171 0.000 0.936 335 E CB -0.587 29.162 29.700 0.083 0.000 0.926 335 E HN 0.785 nan 8.360 nan 0.000 0.459 336 G N 2.635 111.522 108.800 0.146 0.000 2.217 336 G HA2 -0.362 3.598 3.960 0.000 0.000 0.246 336 G HA3 -0.362 3.598 3.960 0.000 0.000 0.246 336 G C 0.875 175.806 174.900 0.052 0.000 0.990 336 G CA 0.715 45.865 45.100 0.084 0.000 0.627 336 G HN 0.789 nan 8.290 nan 0.000 0.522 337 S N -0.475 115.253 115.700 0.047 0.000 2.558 337 S HA 0.508 4.978 4.470 0.000 0.000 0.217 337 S C 1.013 175.573 174.600 -0.067 0.000 0.975 337 S CA 0.817 59.014 58.200 -0.005 0.000 0.912 337 S CB 0.031 63.233 63.200 0.004 0.000 0.776 337 S HN 0.737 nan 8.310 nan 0.000 0.526 338 L N 1.203 122.358 121.223 -0.113 0.000 2.725 338 L HA 0.383 4.723 4.340 0.000 0.000 0.270 338 L C -2.114 174.741 176.870 -0.025 0.000 1.422 338 L CA -1.734 53.002 54.840 -0.173 0.000 0.770 338 L CB 1.367 43.134 42.059 -0.486 0.000 1.081 338 L HN -0.016 nan 8.230 nan 0.000 0.527 339 P HA -0.238 nan 4.420 nan 0.000 0.217 339 P C 1.503 178.843 177.300 0.067 0.000 1.158 339 P CA 1.564 64.695 63.100 0.051 0.000 0.887 339 P CB 0.257 31.971 31.700 0.024 0.000 0.792 340 R N -0.520 120.016 120.500 0.059 0.000 2.073 340 R HA -0.062 4.278 4.340 0.000 0.000 0.234 340 R C 2.515 178.928 176.300 0.188 0.000 1.134 340 R CA 1.717 57.869 56.100 0.086 0.000 0.952 340 R CB -1.028 29.323 30.300 0.085 0.000 0.850 340 R HN 0.144 nan 8.270 nan 0.000 0.433 341 A N 0.999 123.944 122.820 0.209 0.000 1.933 341 A HA -0.209 4.111 4.320 0.000 0.000 0.218 341 A C 1.872 179.655 177.584 0.333 0.000 1.175 341 A CA 1.544 53.767 52.037 0.311 0.000 0.628 341 A CB -0.356 18.826 19.000 0.303 0.000 0.814 341 A HN 0.369 nan 8.150 nan 0.000 0.444 342 E N -0.758 119.606 120.200 0.274 0.000 2.077 342 E HA -0.135 4.215 4.350 0.000 0.000 0.193 342 E C 2.290 178.989 176.600 0.164 0.000 0.989 342 E CA 1.223 57.761 56.400 0.229 0.000 0.800 342 E CB -0.190 29.633 29.700 0.204 0.000 0.746 342 E HN 0.559 nan 8.360 nan 0.000 0.452 343 S N -0.265 115.508 115.700 0.122 0.000 2.368 343 S HA -0.133 4.337 4.470 0.000 0.000 0.225 343 S C 1.670 176.307 174.600 0.062 0.000 1.030 343 S CA 0.840 59.069 58.200 0.048 0.000 0.999 343 S CB -0.282 62.899 63.200 -0.031 0.000 0.844 343 S HN 0.236 nan 8.310 nan 0.000 0.459 344 F N 1.761 121.712 119.950 0.001 0.000 2.095 344 F HA -0.148 4.379 4.527 0.000 0.000 0.298 344 F C 2.572 178.426 175.800 0.091 0.000 1.104 344 F CA 1.177 59.174 58.000 -0.005 0.000 1.232 344 F CB -0.496 38.392 39.000 -0.186 0.000 0.987 344 F HN 0.293 nan 8.300 nan 0.000 0.475 345 A N -0.029 123.003 122.820 0.353 0.000 1.940 345 A HA -0.229 4.091 4.320 0.000 0.000 0.219 345 A C 2.156 179.830 177.584 0.149 0.000 1.176 345 A CA 1.840 54.024 52.037 0.244 0.000 0.631 345 A CB -0.608 18.508 19.000 0.193 0.000 0.814 345 A HN 0.389 nan 8.150 nan 0.000 0.446 346 R N -1.147 119.423 120.500 0.117 0.000 2.161 346 R HA 0.002 4.342 4.340 0.000 0.000 0.213 346 R C 1.904 178.235 176.300 0.052 0.000 1.055 346 R CA 1.316 57.457 56.100 0.069 0.000 0.996 346 R CB -0.068 30.264 30.300 0.054 0.000 0.901 346 R HN 0.703 nan 8.270 nan 0.000 0.456 347 Q N -0.318 119.513 119.800 0.053 0.000 2.350 347 Q HA 0.171 4.511 4.340 0.000 0.000 0.225 347 Q C 0.284 176.302 176.000 0.029 0.000 0.878 347 Q CA -0.123 55.694 55.803 0.023 0.000 0.935 347 Q CB 1.038 29.764 28.738 -0.019 0.000 1.099 347 Q HN -0.010 nan 8.270 nan 0.000 0.527 348 V N 1.682 121.652 119.914 0.094 0.000 2.686 348 V HA 0.236 4.356 4.120 0.000 0.000 0.295 348 V C -0.857 175.263 176.094 0.043 0.000 1.055 348 V CA -0.089 62.282 62.300 0.119 0.000 1.050 348 V CB 1.157 33.178 31.823 0.329 0.000 0.984 348 V HN 0.161 nan 8.190 nan 0.000 0.482 349 L N 5.182 126.411 121.223 0.010 0.000 2.482 349 L HA 0.563 4.903 4.340 0.000 0.000 0.263 349 L C -0.390 176.479 176.870 -0.002 0.000 0.957 349 L CA 0.227 55.054 54.840 -0.022 0.000 0.836 349 L CB 2.559 44.583 42.059 -0.058 0.000 1.324 349 L HN 0.624 nan 8.230 nan 0.000 0.406 350 S N 4.903 120.634 115.700 0.052 0.000 2.457 350 S HA 0.674 5.144 4.470 0.000 0.000 0.289 350 S C -0.414 174.387 174.600 0.336 0.000 1.163 350 S CA -0.529 57.782 58.200 0.185 0.000 1.078 350 S CB 0.627 64.047 63.200 0.368 0.000 0.987 350 S HN 0.475 nan 8.310 nan 0.000 0.482 351 L N 4.087 125.428 121.223 0.197 0.000 2.357 351 L HA 0.427 4.767 4.340 0.000 0.000 0.273 351 L C -2.253 174.619 176.870 0.003 0.000 1.080 351 L CA -2.574 52.310 54.840 0.073 0.000 0.803 351 L CB 0.341 42.222 42.059 -0.296 0.000 1.174 351 L HN 0.293 nan 8.230 nan 0.000 0.443 352 P HA 0.105 nan 4.420 nan 0.000 0.263 352 P C -0.724 176.487 177.300 -0.150 0.000 1.175 352 P CA 0.586 63.531 63.100 -0.258 0.000 0.761 352 P CB 0.664 32.333 31.700 -0.051 0.000 0.794 353 I N 1.113 121.496 120.570 -0.311 0.000 2.828 353 I HA 0.680 4.850 4.170 0.000 0.000 0.295 353 I C -0.673 175.329 176.117 -0.191 0.000 1.459 353 I CA -0.146 61.073 61.300 -0.134 0.000 1.015 353 I CB 2.017 40.035 38.000 0.030 0.000 1.345 353 I HN 0.637 nan 8.210 nan 0.000 0.449 354 G N 5.076 113.798 108.800 -0.130 0.000 2.321 354 G HA2 0.241 4.201 3.960 0.000 0.000 0.298 354 G HA3 0.241 4.201 3.960 0.000 0.000 0.298 354 G C -3.058 171.704 174.900 -0.230 0.000 1.385 354 G CA -0.463 44.550 45.100 -0.145 0.000 0.856 354 G HN 0.311 nan 8.290 nan 0.000 0.584 355 P HA 0.127 nan 4.420 nan 0.000 0.249 355 P C 0.362 177.059 177.300 -1.005 0.000 1.241 355 P CA 0.917 63.589 63.100 -0.714 0.000 0.781 355 P CB -0.214 30.819 31.700 -1.113 0.000 1.088 356 H N -1.867 117.009 119.070 -0.323 0.000 2.916 356 H HA 0.285 4.841 4.556 0.000 0.000 0.262 356 H C 0.007 175.230 175.328 -0.176 0.000 1.178 356 H CA -0.579 55.309 56.048 -0.267 0.000 1.090 356 H CB 0.401 29.991 29.762 -0.286 0.000 1.657 356 H HN -0.018 nan 8.280 nan 0.000 0.601 357 L N 2.418 123.574 121.223 -0.113 0.000 2.265 357 L HA 0.261 4.601 4.340 0.000 0.000 0.288 357 L C -0.244 176.560 176.870 -0.109 0.000 1.058 357 L CA -0.566 54.214 54.840 -0.100 0.000 0.809 357 L CB 0.553 42.542 42.059 -0.117 0.000 1.179 357 L HN 0.036 nan 8.230 nan 0.000 0.429 358 E N 3.762 123.911 120.200 -0.085 0.000 2.343 358 E HA 0.115 4.465 4.350 0.000 0.000 0.269 358 E C 0.741 177.275 176.600 -0.110 0.000 1.047 358 E CA -0.145 56.204 56.400 -0.085 0.000 0.874 358 E CB 1.054 30.718 29.700 -0.060 0.000 1.033 358 E HN 0.534 nan 8.360 nan 0.000 0.409 359 R N 2.998 123.429 120.500 -0.116 0.000 2.113 359 R HA -0.161 4.179 4.340 0.000 0.000 0.244 359 R C -0.892 175.334 176.300 -0.123 0.000 1.142 359 R CA 1.774 57.790 56.100 -0.140 0.000 0.953 359 R CB -0.887 29.339 30.300 -0.123 0.000 0.860 359 R HN 0.328 nan 8.270 nan 0.000 0.438 360 P HA -0.166 nan 4.420 nan 0.000 0.216 360 P C 0.715 177.977 177.300 -0.063 0.000 1.150 360 P CA 1.606 64.666 63.100 -0.066 0.000 0.837 360 P CB -0.139 31.533 31.700 -0.048 0.000 0.786 361 Q N -0.388 119.372 119.800 -0.067 0.000 2.123 361 Q HA -0.005 4.335 4.340 0.000 0.000 0.199 361 Q C 2.238 178.201 176.000 -0.061 0.000 0.966 361 Q CA 1.455 57.227 55.803 -0.051 0.000 0.845 361 Q CB -0.941 27.774 28.738 -0.039 0.000 0.907 361 Q HN 0.131 nan 8.270 nan 0.000 0.439 362 A N 1.484 124.224 122.820 -0.132 0.000 1.930 362 A HA -0.080 4.240 4.320 0.000 0.000 0.217 362 A C 2.119 179.603 177.584 -0.166 0.000 1.175 362 A CA 0.907 52.808 52.037 -0.227 0.000 0.627 362 A CB -0.577 18.123 19.000 -0.499 0.000 0.815 362 A HN 0.310 nan 8.150 nan 0.000 0.443 363 L N -1.123 120.021 121.223 -0.133 0.000 2.141 363 L HA -0.139 4.201 4.340 0.000 0.000 0.209 363 L C 2.726 179.584 176.870 -0.020 0.000 1.094 363 L CA 1.520 56.312 54.840 -0.080 0.000 0.763 363 L CB -0.458 41.557 42.059 -0.074 0.000 0.908 363 L HN 0.479 nan 8.230 nan 0.000 0.437 364 R N 0.163 120.655 120.500 -0.013 0.000 2.081 364 R HA -0.132 4.208 4.340 0.000 0.000 0.235 364 R C 2.215 178.541 176.300 0.044 0.000 1.131 364 R CA 1.365 57.472 56.100 0.012 0.000 0.960 364 R CB -0.154 30.147 30.300 0.003 0.000 0.856 364 R HN 0.105 nan 8.270 nan 0.000 0.436 365 V N 1.449 121.402 119.914 0.064 0.000 2.233 365 V HA -0.296 3.824 4.120 0.000 0.000 0.247 365 V C 2.400 178.577 176.094 0.139 0.000 1.050 365 V CA 2.171 64.542 62.300 0.119 0.000 1.010 365 V CB -0.450 31.504 31.823 0.218 0.000 0.637 365 V HN 0.334 nan 8.190 nan 0.000 0.444 366 I N 0.450 121.109 120.570 0.149 0.000 2.091 366 I HA -0.343 3.827 4.170 0.000 0.000 0.239 366 I C 2.423 178.606 176.117 0.110 0.000 1.061 366 I CA 2.441 63.822 61.300 0.135 0.000 1.317 366 I CB -0.654 37.394 38.000 0.079 0.000 1.031 366 I HN 0.419 nan 8.210 nan 0.000 0.401 367 D N 0.846 121.294 120.400 0.081 0.000 2.133 367 D HA -0.249 4.391 4.640 0.000 0.000 0.192 367 D C 2.102 178.480 176.300 0.130 0.000 1.001 367 D CA 1.945 55.996 54.000 0.084 0.000 0.844 367 D CB -0.007 40.829 40.800 0.060 0.000 0.944 367 D HN 0.362 nan 8.370 nan 0.000 0.447 368 A N -0.425 122.483 122.820 0.148 0.000 1.972 368 A HA -0.086 4.234 4.320 0.000 0.000 0.219 368 A C 2.474 180.248 177.584 0.317 0.000 1.169 368 A CA 1.511 53.691 52.037 0.239 0.000 0.635 368 A CB -0.629 18.453 19.000 0.138 0.000 0.810 368 A HN 0.243 nan 8.150 nan 0.000 0.446 369 V N -0.017 120.029 119.914 0.220 0.000 2.307 369 V HA -0.251 3.869 4.120 0.000 0.000 0.245 369 V C 2.598 178.833 176.094 0.235 0.000 1.045 369 V CA 2.111 64.546 62.300 0.224 0.000 1.024 369 V CB -0.840 31.078 31.823 0.158 0.000 0.651 369 V HN 0.520 nan 8.190 nan 0.000 0.449 370 R N -0.037 120.564 120.500 0.169 0.000 2.096 370 R HA -0.253 4.087 4.340 0.000 0.000 0.240 370 R C 2.410 178.772 176.300 0.105 0.000 1.139 370 R CA 2.073 58.246 56.100 0.122 0.000 0.952 370 R CB -0.487 29.867 30.300 0.090 0.000 0.854 370 R HN 0.689 nan 8.270 nan 0.000 0.436 371 E N 0.045 120.323 120.200 0.130 0.000 2.049 371 E HA -0.272 4.078 4.350 0.000 0.000 0.198 371 E C 1.825 178.432 176.600 0.012 0.000 1.007 371 E CA 1.797 58.257 56.400 0.101 0.000 0.809 371 E CB -0.276 29.547 29.700 0.205 0.000 0.749 371 E HN 0.428 nan 8.360 nan 0.000 0.450 372 W N 0.987 122.154 121.300 -0.222 0.000 2.354 372 W HA -0.163 4.497 4.660 0.000 0.000 0.315 372 W C 2.385 178.802 176.519 -0.169 0.000 1.206 372 W CA 2.548 59.654 57.345 -0.397 0.000 1.290 372 W CB -0.718 28.472 29.460 -0.451 0.000 1.152 372 W HN 0.230 nan 8.180 nan 0.000 0.489 373 A N 0.596 123.496 122.820 0.133 0.000 1.884 373 A HA -0.338 3.982 4.320 0.000 0.000 0.219 373 A C 1.824 179.288 177.584 -0.199 0.000 1.197 373 A CA 2.412 54.432 52.037 -0.028 0.000 0.637 373 A CB -1.150 17.934 19.000 0.140 0.000 0.827 373 A HN 0.549 nan 8.150 nan 0.000 0.450 374 E N -0.711 119.422 120.200 -0.112 0.000 2.058 374 E HA -0.225 4.125 4.350 0.000 0.000 0.194 374 E C 2.338 178.828 176.600 -0.183 0.000 0.997 374 E CA 1.364 57.696 56.400 -0.113 0.000 0.801 374 E CB -0.251 29.418 29.700 -0.052 0.000 0.746 374 E HN 0.591 nan 8.360 nan 0.000 0.450 375 R N 0.916 121.272 120.500 -0.240 0.000 2.096 375 R HA -0.071 4.269 4.340 0.000 0.000 0.235 375 R C 1.715 177.813 176.300 -0.337 0.000 1.127 375 R CA 1.038 56.982 56.100 -0.259 0.000 0.968 375 R CB -0.587 29.561 30.300 -0.254 0.000 0.861 375 R HN 0.147 nan 8.270 nan 0.000 0.440 376 V N 0.000 119.586 119.914 -0.547 0.000 2.409 376 V HA 0.000 4.120 4.120 0.000 0.000 0.244 376 V CA 0.000 61.975 62.300 -0.541 0.000 1.235 376 V CB 0.000 31.253 31.823 -0.950 0.000 1.184 376 V HN 0.000 nan 8.190 nan 0.000 0.556