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 3dbl_1_F DATA FIRST_RESID 11 DATA SEQUENCE LDWEGRWNHV KKFLERSGPF THPDFEPSTE SLQFLLDTCK VLVIGAGGLG DATA SEQUENCE CELLKNLALS GFRQIHVIDM DTIDVSNLNR QFLFRPKDIG RPKAEVAAEF DATA SEQUENCE LNDRVPNCNV VPHFNKIQDF NDTFYRQFHI IVCGLDSIIA RRWINGMLIS DATA SEQUENCE LLNYEDGVLD PSSIVPLIDG GTEGFKGNAR VILPGMTACI ECTLELYPPQ DATA SEQUENCE VNFPMATIAS MPRLPEHCIE YVRMLQWPKE QPFGEGVPLD GDDPEHIQWI DATA SEQUENCE FQKSLERASQ YNIRGVTYRL TQGVVKRIIP AVASTNAVIA AVCATEVFKI DATA SEQUENCE ATSAYIPLNN YLVFNDVDGL YTYTFEAERK ENCPACSQLP QNIQFSPSAK DATA SEQUENCE LQEVLDYLTN SASLQMKSPA ITATLEGKNR TLYLQSVTSI EERTRPNLSK DATA SEQUENCE TLKELGLVDG QELAVADVTT PQTVLFKLHF T 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.912 176.870 0.070 0.000 1.165 11 L CA 0.000 54.884 54.840 0.073 0.000 0.813 11 L CB 0.000 42.099 42.059 0.066 0.000 0.961 12 D N 0.066 120.478 120.400 0.021 0.000 2.646 12 D HA 0.385 5.025 4.640 -0.000 0.000 0.245 12 D C -1.199 175.037 176.300 -0.107 0.000 1.099 12 D CA -0.202 53.694 54.000 -0.174 0.000 0.849 12 D CB 1.940 42.615 40.800 -0.209 0.000 1.448 12 D HN 0.332 nan 8.370 nan 0.000 0.489 13 W N 0.610 121.880 121.300 -0.051 0.000 2.093 13 W HA 0.324 4.984 4.660 -0.000 0.000 0.352 13 W C 0.452 176.948 176.519 -0.039 0.000 1.294 13 W CA -0.652 56.668 57.345 -0.043 0.000 1.290 13 W CB 0.127 29.550 29.460 -0.062 0.000 1.149 13 W HN 0.037 nan 8.180 nan 0.000 0.606 14 E N 0.939 121.267 120.200 0.214 0.000 2.415 14 E HA 0.185 4.535 4.350 -0.000 0.000 0.263 14 E C 1.103 177.783 176.600 0.134 0.000 0.995 14 E CA 1.637 58.106 56.400 0.115 0.000 0.915 14 E CB 0.713 30.480 29.700 0.113 0.000 0.951 14 E HN 0.934 nan 8.360 nan 0.000 0.449 15 G N 4.037 112.860 108.800 0.038 0.000 2.199 15 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.254 15 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.254 15 G C 1.192 176.068 174.900 -0.040 0.000 0.982 15 G CA 0.670 45.801 45.100 0.051 0.000 0.632 15 G HN 0.587 nan 8.290 nan 0.000 0.529 16 R N -0.407 119.874 120.500 -0.366 0.000 2.113 16 R HA -0.114 4.226 4.340 -0.000 0.000 0.244 16 R C 1.699 177.623 176.300 -0.626 0.000 1.142 16 R CA 2.286 57.889 56.100 -0.829 0.000 0.953 16 R CB -0.265 28.906 30.300 -1.882 0.000 0.860 16 R HN 0.628 nan 8.270 nan 0.000 0.438 17 W N 0.117 121.345 121.300 -0.120 0.000 2.966 17 W HA 0.275 4.935 4.660 -0.000 0.000 0.406 17 W C 0.970 177.517 176.519 0.046 0.000 1.027 17 W CA -1.014 56.317 57.345 -0.024 0.000 1.930 17 W CB 0.378 29.809 29.460 -0.047 0.000 1.144 17 W HN 0.079 nan 8.180 nan 0.000 0.626 18 N N 0.479 119.313 118.700 0.225 0.000 2.137 18 N HA -0.225 4.515 4.740 -0.000 0.000 0.190 18 N C 1.054 176.616 175.510 0.087 0.000 1.017 18 N CA 1.626 54.754 53.050 0.130 0.000 0.859 18 N CB -0.525 38.005 38.487 0.072 0.000 1.002 18 N HN 0.345 nan 8.380 nan 0.000 0.428 19 H N -0.604 118.523 119.070 0.094 0.000 2.489 19 H HA 0.054 4.610 4.556 -0.000 0.000 0.293 19 H C 1.871 177.298 175.328 0.165 0.000 1.066 19 H CA 0.735 56.840 56.048 0.095 0.000 1.305 19 H CB 0.154 29.989 29.762 0.121 0.000 1.386 19 H HN 0.011 nan 8.280 nan 0.000 0.551 20 V N -0.214 119.898 119.914 0.331 0.000 2.672 20 V HA -0.080 4.040 4.120 -0.000 0.000 0.242 20 V C 2.003 178.272 176.094 0.291 0.000 1.059 20 V CA 0.878 63.389 62.300 0.350 0.000 1.081 20 V CB -0.065 31.937 31.823 0.298 0.000 0.752 20 V HN 0.259 nan 8.190 nan 0.000 0.472 21 K N 0.499 121.009 120.400 0.182 0.000 2.113 21 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 21 K C 2.109 178.728 176.600 0.032 0.000 1.047 21 K CA 1.549 57.904 56.287 0.113 0.000 0.928 21 K CB -0.189 32.364 32.500 0.089 0.000 0.716 21 K HN 0.410 nan 8.250 nan 0.000 0.446 22 K N -0.260 120.055 120.400 -0.142 0.000 2.209 22 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 22 K C 1.759 178.202 176.600 -0.263 0.000 1.048 22 K CA 1.285 57.398 56.287 -0.289 0.000 0.940 22 K CB -0.077 32.112 32.500 -0.518 0.000 0.729 22 K HN 0.158 nan 8.250 nan 0.000 0.451 23 F N 0.214 120.248 119.950 0.140 0.000 2.615 23 F HA 0.039 4.566 4.527 0.000 0.000 0.297 23 F C 1.799 177.741 175.800 0.237 0.000 1.124 23 F CA 0.355 58.458 58.000 0.171 0.000 1.451 23 F CB 0.126 39.293 39.000 0.278 0.000 1.103 23 F HN -0.108 nan 8.300 nan 0.000 0.569 24 L N -0.850 120.624 121.223 0.418 0.000 2.470 24 L HA 0.093 4.433 4.340 -0.000 0.000 0.219 24 L C 1.639 178.692 176.870 0.305 0.000 1.071 24 L CA 0.559 55.656 54.840 0.428 0.000 0.850 24 L CB -0.158 42.066 42.059 0.275 0.000 1.040 24 L HN 0.056 nan 8.230 nan 0.000 0.475 25 E N 0.489 120.803 120.200 0.191 0.000 2.447 25 E HA 0.082 4.432 4.350 -0.000 0.000 0.195 25 E C 0.132 176.806 176.600 0.124 0.000 1.028 25 E CA 0.108 56.572 56.400 0.107 0.000 0.876 25 E CB 0.497 30.229 29.700 0.054 0.000 0.885 25 E HN 0.372 nan 8.360 nan 0.000 0.500 26 R N 1.008 121.617 120.500 0.182 0.000 2.562 26 R HA 0.302 4.642 4.340 -0.000 0.000 0.298 26 R C -0.169 176.281 176.300 0.249 0.000 0.961 26 R CA -0.423 55.768 56.100 0.151 0.000 0.881 26 R CB 1.868 32.203 30.300 0.059 0.000 1.159 26 R HN -0.027 nan 8.270 nan 0.000 0.450 27 S N 0.379 116.217 115.700 0.229 0.000 2.681 27 S HA 0.823 5.293 4.470 -0.000 0.000 0.270 27 S C 0.362 175.001 174.600 0.066 0.000 1.209 27 S CA -0.413 57.937 58.200 0.249 0.000 0.988 27 S CB 1.771 65.101 63.200 0.217 0.000 1.006 27 S HN 0.766 nan 8.310 nan 0.000 0.558 28 G N -0.799 108.007 108.800 0.010 0.000 2.606 28 G HA2 0.560 4.520 3.960 -0.000 0.000 0.300 28 G HA3 0.560 4.520 3.960 -0.000 0.000 0.300 28 G C -2.877 172.042 174.900 0.032 0.000 1.360 28 G CA -0.969 44.144 45.100 0.021 0.000 0.783 28 G HN 0.483 nan 8.290 nan 0.000 0.484 29 P HA 0.173 nan 4.420 nan 0.000 0.219 29 P C 0.972 178.193 177.300 -0.131 0.000 1.154 29 P CA 0.614 63.699 63.100 -0.026 0.000 0.826 29 P CB 0.128 31.806 31.700 -0.037 0.000 0.795 30 F N -1.251 118.691 119.950 -0.013 0.000 2.773 30 F HA 0.154 4.681 4.527 -0.000 0.000 0.304 30 F C 1.192 176.938 175.800 -0.089 0.000 1.129 30 F CA 0.085 58.098 58.000 0.022 0.000 1.378 30 F CB -1.123 37.980 39.000 0.172 0.000 1.095 30 F HN -0.202 nan 8.300 nan 0.000 0.565 31 T N -0.191 114.310 114.554 -0.089 0.000 2.870 31 T HA 0.032 4.382 4.350 -0.000 0.000 0.300 31 T C 0.066 174.725 174.700 -0.068 0.000 0.989 31 T CA -0.205 61.723 62.100 -0.287 0.000 1.139 31 T CB -0.050 68.548 68.868 -0.450 0.000 0.920 31 T HN 0.339 nan 8.240 nan 0.000 0.537 32 H N 6.470 125.482 119.070 -0.096 0.000 3.058 32 H HA 0.055 4.611 4.556 -0.000 0.000 0.347 32 H C -1.252 174.109 175.328 0.056 0.000 1.087 32 H CA -0.262 55.794 56.048 0.013 0.000 1.375 32 H CB 0.859 30.646 29.762 0.043 0.000 1.312 32 H HN 0.430 nan 8.280 nan 0.000 0.607 33 P HA -0.103 nan 4.420 nan 0.000 0.221 33 P C 0.272 177.580 177.300 0.013 0.000 1.150 33 P CA 1.224 64.203 63.100 -0.202 0.000 0.800 33 P CB 0.399 31.923 31.700 -0.293 0.000 0.787 34 D N -0.900 119.639 120.400 0.232 0.000 2.277 34 D HA -0.016 4.624 4.640 -0.000 0.000 0.208 34 D C 0.738 177.164 176.300 0.209 0.000 0.962 34 D CA 0.090 54.242 54.000 0.252 0.000 0.865 34 D CB -0.850 40.147 40.800 0.327 0.000 0.939 34 D HN 0.125 nan 8.370 nan 0.000 0.510 35 F N 1.838 121.864 119.950 0.126 0.000 2.626 35 F HA 0.076 4.603 4.527 -0.000 0.000 0.354 35 F C 0.402 176.205 175.800 0.004 0.000 1.168 35 F CA 0.320 58.345 58.000 0.043 0.000 1.368 35 F CB 0.550 39.569 39.000 0.032 0.000 1.092 35 F HN -0.263 nan 8.300 nan 0.000 0.612 36 E N 6.119 125.733 120.200 -0.977 0.000 2.361 36 E HA 0.217 4.567 4.350 -0.000 0.000 0.270 36 E C -2.563 173.421 176.600 -1.026 0.000 0.911 36 E CA -1.992 53.984 56.400 -0.707 0.000 0.818 36 E CB 1.346 30.819 29.700 -0.378 0.000 1.332 36 E HN 0.309 nan 8.360 nan 0.000 0.402 37 P HA 0.034 nan 4.420 nan 0.000 0.264 37 P C -0.240 176.913 177.300 -0.246 0.000 1.183 37 P CA 0.251 63.157 63.100 -0.322 0.000 0.763 37 P CB 0.970 32.674 31.700 0.006 0.000 0.807 38 S N 1.110 116.711 115.700 -0.165 0.000 2.552 38 S HA 0.280 4.750 4.470 -0.000 0.000 0.272 38 S C 0.564 175.129 174.600 -0.058 0.000 1.150 38 S CA -0.410 57.717 58.200 -0.123 0.000 0.849 38 S CB 1.230 64.322 63.200 -0.180 0.000 1.113 38 S HN 0.374 nan 8.310 nan 0.000 0.458 39 T N 1.338 115.864 114.554 -0.048 0.000 3.067 39 T HA 0.229 4.579 4.350 -0.000 0.000 0.257 39 T C 1.057 175.743 174.700 -0.024 0.000 1.105 39 T CA 0.939 63.026 62.100 -0.022 0.000 1.104 39 T CB -0.149 68.708 68.868 -0.018 0.000 0.925 39 T HN 0.629 nan 8.240 nan 0.000 0.498 40 E N -0.171 120.002 120.200 -0.046 0.000 2.476 40 E HA 0.173 4.523 4.350 -0.000 0.000 0.196 40 E C 1.619 178.202 176.600 -0.028 0.000 1.029 40 E CA -0.103 56.276 56.400 -0.035 0.000 0.896 40 E CB 0.302 29.971 29.700 -0.052 0.000 1.012 40 E HN 0.278 nan 8.360 nan 0.000 0.475 41 S N 0.732 116.405 115.700 -0.045 0.000 2.355 41 S HA -0.142 4.328 4.470 -0.000 0.000 0.222 41 S C 1.739 176.334 174.600 -0.009 0.000 1.031 41 S CA 0.645 58.827 58.200 -0.030 0.000 0.993 41 S CB -0.130 63.038 63.200 -0.053 0.000 0.859 41 S HN 0.320 nan 8.310 nan 0.000 0.453 42 L N 1.905 123.102 121.223 -0.044 0.000 2.079 42 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 42 L C 2.273 179.040 176.870 -0.171 0.000 1.081 42 L CA 1.817 56.575 54.840 -0.137 0.000 0.752 42 L CB -0.748 41.219 42.059 -0.153 0.000 0.896 42 L HN 0.142 nan 8.230 nan 0.000 0.433 43 Q N -1.093 118.662 119.800 -0.074 0.000 2.046 43 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 43 Q C 2.078 178.063 176.000 -0.025 0.000 0.975 43 Q CA 1.995 57.767 55.803 -0.053 0.000 0.836 43 Q CB -0.633 28.110 28.738 0.008 0.000 0.896 43 Q HN 0.541 nan 8.270 nan 0.000 0.428 44 F N -0.154 119.722 119.950 -0.124 0.000 2.134 44 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 44 F C 1.840 177.551 175.800 -0.147 0.000 1.097 44 F CA 1.246 59.180 58.000 -0.110 0.000 1.264 44 F CB -0.484 38.460 39.000 -0.094 0.000 1.001 44 F HN 0.256 nan 8.300 nan 0.000 0.479 45 L N 0.069 121.242 121.223 -0.084 0.000 2.012 45 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 45 L C 2.142 178.798 176.870 -0.356 0.000 1.073 45 L CA 1.852 56.532 54.840 -0.267 0.000 0.748 45 L CB -0.949 40.892 42.059 -0.363 0.000 0.891 45 L HN 0.183 nan 8.230 nan 0.000 0.431 46 L N -0.577 120.445 121.223 -0.336 0.000 2.083 46 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 46 L C 2.105 178.853 176.870 -0.202 0.000 1.083 46 L CA 1.326 55.989 54.840 -0.296 0.000 0.752 46 L CB -0.633 41.250 42.059 -0.293 0.000 0.899 46 L HN 0.355 nan 8.230 nan 0.000 0.433 47 D N -1.511 118.758 120.400 -0.218 0.000 2.201 47 D HA -0.079 4.561 4.640 -0.000 0.000 0.209 47 D C 2.082 178.224 176.300 -0.263 0.000 0.961 47 D CA 1.898 55.775 54.000 -0.206 0.000 0.861 47 D CB 0.043 40.727 40.800 -0.194 0.000 0.997 47 D HN 0.356 nan 8.370 nan 0.000 0.486 48 T N -2.697 111.611 114.554 -0.410 0.000 2.985 48 T HA 0.099 4.449 4.350 -0.000 0.000 0.254 48 T C 1.071 175.537 174.700 -0.391 0.000 1.021 48 T CA -0.388 61.468 62.100 -0.408 0.000 0.957 48 T CB -0.517 67.984 68.868 -0.611 0.000 1.047 48 T HN 0.018 nan 8.240 nan 0.000 0.511 49 C N 4.492 123.583 119.300 -0.348 0.000 2.610 49 C HA 0.346 4.806 4.460 -0.000 0.000 0.382 49 C C 0.403 175.207 174.990 -0.311 0.000 1.287 49 C CA -0.874 57.917 59.018 -0.379 0.000 1.640 49 C CB -1.401 26.290 27.740 -0.080 0.000 2.335 49 C HN 0.324 nan 8.230 nan 0.000 0.577 50 K N 5.680 125.679 120.400 -0.667 0.000 2.284 50 K HA 0.412 4.732 4.320 -0.000 0.000 0.287 50 K C -0.512 176.112 176.600 0.040 0.000 1.081 50 K CA -0.206 55.957 56.287 -0.206 0.000 0.910 50 K CB 1.195 33.558 32.500 -0.229 0.000 1.088 50 K HN 0.491 nan 8.250 nan 0.000 0.478 51 V N 4.271 124.247 119.914 0.102 0.000 2.513 51 V HA 0.337 4.457 4.120 -0.000 0.000 0.299 51 V C -0.517 175.502 176.094 -0.124 0.000 1.035 51 V CA -1.095 61.193 62.300 -0.021 0.000 0.889 51 V CB 1.732 33.422 31.823 -0.222 0.000 0.988 51 V HN 0.546 nan 8.190 nan 0.000 0.440 52 L N 5.725 126.701 121.223 -0.411 0.000 2.322 52 L HA 0.719 5.059 4.340 -0.000 0.000 0.281 52 L C -0.629 176.039 176.870 -0.336 0.000 1.014 52 L CA -0.004 54.419 54.840 -0.696 0.000 0.815 52 L CB 1.814 42.942 42.059 -1.551 0.000 1.247 52 L HN 0.429 nan 8.230 nan 0.000 0.421 53 V N 6.849 126.647 119.914 -0.192 0.000 2.357 53 V HA 0.446 4.566 4.120 -0.000 0.000 0.284 53 V C 0.051 176.118 176.094 -0.046 0.000 1.018 53 V CA -0.379 61.860 62.300 -0.101 0.000 0.841 53 V CB 1.420 33.209 31.823 -0.056 0.000 0.991 53 V HN 0.604 nan 8.190 nan 0.000 0.437 54 I N 4.797 125.349 120.570 -0.030 0.000 2.307 54 I HA 0.729 4.899 4.170 -0.000 0.000 0.289 54 I C 0.702 176.838 176.117 0.032 0.000 1.021 54 I CA -0.056 61.257 61.300 0.022 0.000 1.224 54 I CB 1.226 39.249 38.000 0.039 0.000 1.376 54 I HN 0.853 nan 8.210 nan 0.000 0.470 55 G N 4.732 113.565 108.800 0.054 0.000 3.069 55 G HA2 0.223 4.183 3.960 -0.000 0.000 0.686 55 G HA3 0.223 4.183 3.960 -0.000 0.000 0.686 55 G C -0.807 174.126 174.900 0.055 0.000 1.161 55 G CA -0.407 44.726 45.100 0.055 0.000 0.804 55 G HN 0.993 nan 8.290 nan 0.000 0.608 56 A N 1.090 123.958 122.820 0.080 0.000 3.082 56 A HA 0.993 5.313 4.320 -0.000 0.000 0.328 56 A C 0.481 178.159 177.584 0.157 0.000 1.089 56 A CA 0.430 52.524 52.037 0.095 0.000 0.802 56 A CB 0.626 19.700 19.000 0.124 0.000 1.138 56 A HN 2.646 nan 8.150 nan 0.000 0.474 57 G N -0.072 108.784 108.800 0.092 0.000 1.824 57 G HA2 0.633 4.593 3.960 -0.000 0.000 0.294 57 G HA3 0.633 4.593 3.960 -0.000 0.000 0.294 57 G C 0.364 175.297 174.900 0.055 0.000 1.796 57 G CA 0.887 46.062 45.100 0.124 0.000 0.919 57 G HN 2.220 nan 8.290 nan 0.000 0.595 58 G N 0.968 109.780 108.800 0.020 0.000 3.076 58 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.256 58 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.256 58 G C 1.395 176.309 174.900 0.023 0.000 1.589 58 G CA 0.377 45.494 45.100 0.027 0.000 1.044 58 G HN 1.319 nan 8.290 nan 0.000 0.563 59 L N 2.101 123.331 121.223 0.011 0.000 2.083 59 L HA 0.085 4.425 4.340 -0.000 0.000 0.209 59 L C 3.270 180.139 176.870 -0.002 0.000 1.083 59 L CA 1.991 56.830 54.840 -0.001 0.000 0.752 59 L CB -0.950 41.103 42.059 -0.010 0.000 0.899 59 L HN 0.699 nan 8.230 nan 0.000 0.433 60 G N -0.575 108.224 108.800 -0.001 0.000 2.459 60 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 60 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 60 G C 1.633 176.506 174.900 -0.046 0.000 1.183 60 G CA 1.059 46.152 45.100 -0.012 0.000 0.776 60 G HN 0.403 nan 8.290 nan 0.000 0.552 61 C N -0.037 119.207 119.300 -0.093 0.000 2.413 61 C HA 0.014 4.474 4.460 -0.000 0.000 0.276 61 C C 2.757 177.721 174.990 -0.043 0.000 1.236 61 C CA 1.196 60.063 59.018 -0.252 0.000 1.735 61 C CB -0.669 26.764 27.740 -0.511 0.000 2.031 61 C HN 0.608 nan 8.230 nan 0.000 0.474 62 E N 0.727 121.018 120.200 0.152 0.000 2.110 62 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 62 E C 1.975 178.622 176.600 0.077 0.000 0.988 62 E CA 1.057 57.576 56.400 0.198 0.000 0.804 62 E CB -0.334 29.413 29.700 0.077 0.000 0.745 62 E HN 0.585 nan 8.360 nan 0.000 0.458 63 L N -0.218 121.015 121.223 0.017 0.000 2.046 63 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 63 L C 2.413 179.279 176.870 -0.007 0.000 1.077 63 L CA 0.872 55.703 54.840 -0.014 0.000 0.747 63 L CB -0.388 41.646 42.059 -0.041 0.000 0.896 63 L HN 0.214 nan 8.230 nan 0.000 0.432 64 L N -0.239 120.977 121.223 -0.011 0.000 2.017 64 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 64 L C 2.750 179.647 176.870 0.045 0.000 1.073 64 L CA 1.421 56.261 54.840 0.000 0.000 0.745 64 L CB -0.515 41.523 42.059 -0.035 0.000 0.894 64 L HN 0.267 nan 8.230 nan 0.000 0.432 65 K N 0.240 120.676 120.400 0.060 0.000 2.001 65 K HA -0.238 4.082 4.320 -0.000 0.000 0.214 65 K C 1.973 178.640 176.600 0.112 0.000 1.050 65 K CA 1.995 58.352 56.287 0.116 0.000 0.934 65 K CB -0.067 32.569 32.500 0.228 0.000 0.718 65 K HN 0.281 nan 8.250 nan 0.000 0.443 66 N N 1.006 119.756 118.700 0.084 0.000 2.043 66 N HA -0.179 4.561 4.740 -0.000 0.000 0.193 66 N C 2.005 177.591 175.510 0.126 0.000 1.037 66 N CA 1.472 54.566 53.050 0.075 0.000 0.851 66 N CB -0.459 38.044 38.487 0.027 0.000 1.027 66 N HN 0.222 nan 8.380 nan 0.000 0.422 67 L N 0.813 122.099 121.223 0.104 0.000 2.046 67 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 67 L C 2.519 179.595 176.870 0.343 0.000 1.077 67 L CA 1.196 56.145 54.840 0.181 0.000 0.747 67 L CB -0.621 41.404 42.059 -0.056 0.000 0.896 67 L HN 0.103 nan 8.230 nan 0.000 0.432 68 A N 0.506 123.472 122.820 0.243 0.000 1.873 68 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 68 A C 2.168 179.959 177.584 0.345 0.000 1.193 68 A CA 1.690 53.890 52.037 0.271 0.000 0.629 68 A CB -0.901 18.223 19.000 0.207 0.000 0.826 68 A HN 0.400 nan 8.150 nan 0.000 0.447 69 L N -0.047 121.353 121.223 0.296 0.000 2.622 69 L HA -0.008 4.332 4.340 -0.000 0.000 0.233 69 L C 1.578 178.687 176.870 0.399 0.000 1.156 69 L CA 0.603 55.644 54.840 0.335 0.000 0.866 69 L CB -0.077 42.095 42.059 0.188 0.000 0.980 69 L HN 0.261 nan 8.230 nan 0.000 0.448 70 S N -0.492 115.410 115.700 0.337 0.000 2.557 70 S HA 0.282 4.752 4.470 -0.000 0.000 0.223 70 S C 1.305 175.999 174.600 0.156 0.000 0.969 70 S CA 0.603 58.963 58.200 0.267 0.000 0.927 70 S CB 0.800 64.183 63.200 0.305 0.000 0.806 70 S HN 0.606 nan 8.310 nan 0.000 0.489 71 G N 0.977 109.752 108.800 -0.042 0.000 2.168 71 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.197 71 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.197 71 G C -0.182 174.396 174.900 -0.537 0.000 0.997 71 G CA -0.742 44.003 45.100 -0.593 0.000 0.658 71 G HN 0.384 nan 8.290 nan 0.000 0.513 72 F N -0.013 119.916 119.950 -0.036 0.000 2.404 72 F HA 0.774 5.301 4.527 0.000 0.000 0.339 72 F C 1.405 177.214 175.800 0.015 0.000 1.105 72 F CA -0.555 57.434 58.000 -0.018 0.000 1.087 72 F CB 1.764 40.777 39.000 0.021 0.000 1.143 72 F HN -0.022 nan 8.300 nan 0.000 0.491 73 R N -0.170 120.413 120.500 0.139 0.000 2.428 73 R HA 0.155 4.495 4.340 -0.000 0.000 0.193 73 R C 0.016 176.389 176.300 0.121 0.000 0.852 73 R CA 0.036 56.205 56.100 0.113 0.000 1.055 73 R CB 0.381 30.708 30.300 0.045 0.000 1.343 73 R HN 0.446 nan 8.270 nan 0.000 0.655 74 Q N 1.746 121.614 119.800 0.112 0.000 2.837 74 Q HA 0.227 4.567 4.340 -0.000 0.000 0.235 74 Q C -0.784 175.345 176.000 0.215 0.000 1.348 74 Q CA 0.536 56.418 55.803 0.131 0.000 0.990 74 Q CB -0.038 28.732 28.738 0.053 0.000 1.570 74 Q HN 0.350 nan 8.270 nan 0.000 0.575 75 I N 1.076 121.777 120.570 0.218 0.000 2.474 75 I HA 0.346 4.516 4.170 -0.000 0.000 0.294 75 I C 0.264 176.547 176.117 0.276 0.000 1.005 75 I CA -0.699 60.734 61.300 0.222 0.000 1.113 75 I CB 1.628 39.705 38.000 0.127 0.000 1.289 75 I HN 0.318 nan 8.210 nan 0.000 0.436 76 H N 4.351 123.484 119.070 0.104 0.000 2.621 76 H HA 0.707 5.263 4.556 -0.000 0.000 0.360 76 H C -1.148 174.221 175.328 0.068 0.000 1.163 76 H CA -1.024 55.120 56.048 0.159 0.000 1.194 76 H CB 3.113 33.087 29.762 0.353 0.000 1.649 76 H HN 0.216 nan 8.280 nan 0.000 0.532 77 V N 4.004 124.056 119.914 0.231 0.000 2.668 77 V HA 0.258 4.378 4.120 -0.000 0.000 0.304 77 V C -0.399 175.828 176.094 0.220 0.000 1.071 77 V CA -0.487 61.903 62.300 0.149 0.000 0.894 77 V CB 1.935 33.809 31.823 0.084 0.000 1.008 77 V HN 0.519 nan 8.190 nan 0.000 0.425 78 I N 3.824 124.506 120.570 0.187 0.000 2.460 78 I HA 0.677 4.847 4.170 -0.000 0.000 0.298 78 I C -0.774 175.450 176.117 0.178 0.000 0.989 78 I CA -0.263 61.172 61.300 0.225 0.000 1.173 78 I CB 1.903 40.004 38.000 0.168 0.000 1.338 78 I HN 0.670 nan 8.210 nan 0.000 0.456 79 D N 4.435 124.962 120.400 0.212 0.000 2.414 79 D HA 0.191 4.831 4.640 -0.000 0.000 0.187 79 D C 0.282 176.740 176.300 0.263 0.000 1.255 79 D CA -0.479 53.629 54.000 0.179 0.000 0.825 79 D CB 1.025 41.910 40.800 0.141 0.000 1.912 79 D HN 0.567 nan 8.370 nan 0.000 0.530 80 M N -0.114 119.603 119.600 0.194 0.000 2.562 80 M HA 0.263 4.743 4.480 -0.000 0.000 0.257 80 M C -0.010 176.491 176.300 0.336 0.000 1.099 80 M CA 0.468 55.887 55.300 0.199 0.000 1.099 80 M CB 0.089 32.704 32.600 0.024 0.000 1.427 80 M HN 0.059 nan 8.290 nan 0.000 0.489 81 D N 1.821 122.346 120.400 0.209 0.000 2.358 81 D HA 0.221 4.861 4.640 -0.000 0.000 0.244 81 D C -0.372 175.936 176.300 0.013 0.000 1.163 81 D CA 0.236 54.303 54.000 0.111 0.000 0.945 81 D CB 1.236 42.057 40.800 0.034 0.000 1.152 81 D HN 0.025 nan 8.370 nan 0.000 0.451 82 T N 0.424 114.948 114.554 -0.050 0.000 2.888 82 T HA 0.437 4.787 4.350 -0.000 0.000 0.284 82 T C 0.350 174.925 174.700 -0.208 0.000 1.017 82 T CA -0.606 61.400 62.100 -0.156 0.000 1.022 82 T CB 0.814 69.632 68.868 -0.085 0.000 1.013 82 T HN 0.126 nan 8.240 nan 0.000 0.465 83 I N 3.156 123.537 120.570 -0.315 0.000 2.471 83 I HA 0.212 4.382 4.170 -0.000 0.000 0.286 83 I C 0.470 176.482 176.117 -0.174 0.000 1.079 83 I CA -0.114 60.973 61.300 -0.354 0.000 1.398 83 I CB 0.613 38.287 38.000 -0.542 0.000 1.403 83 I HN 0.602 nan 8.210 nan 0.000 0.530 84 D N 4.254 124.592 120.400 -0.104 0.000 2.442 84 D HA 0.208 4.848 4.640 -0.000 0.000 0.254 84 D C 0.551 176.845 176.300 -0.010 0.000 1.069 84 D CA -0.582 53.390 54.000 -0.046 0.000 1.017 84 D CB 2.050 42.833 40.800 -0.027 0.000 1.172 84 D HN 0.195 nan 8.370 nan 0.000 0.561 85 V N 0.923 120.838 119.914 0.003 0.000 2.591 85 V HA -0.071 4.049 4.120 -0.000 0.000 0.249 85 V C 1.731 177.846 176.094 0.035 0.000 1.053 85 V CA 2.334 64.647 62.300 0.022 0.000 1.068 85 V CB -0.551 31.285 31.823 0.020 0.000 0.689 85 V HN 0.675 nan 8.190 nan 0.000 0.462 86 S N -0.129 115.587 115.700 0.027 0.000 2.555 86 S HA -0.089 4.381 4.470 -0.000 0.000 0.230 86 S C 1.575 176.200 174.600 0.042 0.000 0.978 86 S CA 0.991 59.208 58.200 0.028 0.000 0.934 86 S CB -0.650 62.557 63.200 0.013 0.000 0.766 86 S HN 0.686 nan 8.310 nan 0.000 0.533 87 N N 2.351 121.089 118.700 0.063 0.000 2.216 87 N HA 0.124 4.864 4.740 -0.000 0.000 0.183 87 N C 1.596 177.180 175.510 0.124 0.000 1.017 87 N CA 1.026 54.141 53.050 0.109 0.000 0.861 87 N CB -0.607 37.983 38.487 0.171 0.000 0.986 87 N HN 0.439 nan 8.380 nan 0.000 0.428 88 L N 1.897 123.192 121.223 0.120 0.000 2.450 88 L HA -0.153 4.187 4.340 -0.000 0.000 0.225 88 L C 1.660 178.575 176.870 0.076 0.000 1.145 88 L CA 0.796 55.702 54.840 0.110 0.000 0.801 88 L CB -0.710 41.407 42.059 0.097 0.000 0.924 88 L HN 0.292 nan 8.230 nan 0.000 0.447 89 N N 1.503 120.239 118.700 0.059 0.000 2.412 89 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 89 N C 1.257 176.790 175.510 0.039 0.000 1.101 89 N CA 0.524 53.600 53.050 0.043 0.000 0.881 89 N CB 0.208 38.713 38.487 0.030 0.000 0.969 89 N HN 0.581 nan 8.380 nan 0.000 0.459 90 R N -1.649 118.881 120.500 0.050 0.000 2.433 90 R HA 0.226 4.566 4.340 -0.000 0.000 0.322 90 R C -0.554 175.798 176.300 0.087 0.000 0.808 90 R CA -0.332 55.799 56.100 0.052 0.000 1.046 90 R CB -0.415 29.902 30.300 0.028 0.000 1.740 90 R HN -0.030 nan 8.270 nan 0.000 0.490 91 Q N 1.566 121.393 119.800 0.046 0.000 2.788 91 Q HA 0.241 4.581 4.340 -0.000 0.000 0.261 91 Q C -0.323 175.473 176.000 -0.340 0.000 1.029 91 Q CA -0.649 55.063 55.803 -0.152 0.000 0.848 91 Q CB 0.635 29.277 28.738 -0.160 0.000 1.185 91 Q HN 0.442 nan 8.270 nan 0.000 0.482 92 F N -1.212 118.528 119.950 -0.349 0.000 2.667 92 F HA -0.060 4.467 4.527 -0.000 0.000 0.295 92 F C 0.506 175.977 175.800 -0.548 0.000 1.185 92 F CA 0.495 58.295 58.000 -0.333 0.000 1.479 92 F CB -0.102 38.739 39.000 -0.266 0.000 1.116 92 F HN 0.311 nan 8.300 nan 0.000 0.606 93 L N -0.517 119.934 121.223 -1.287 0.000 2.585 93 L HA 0.261 4.601 4.340 -0.000 0.000 0.226 93 L C -0.195 176.426 176.870 -0.415 0.000 1.113 93 L CA -0.017 54.072 54.840 -1.252 0.000 0.876 93 L CB -0.128 41.139 42.059 -1.320 0.000 1.072 93 L HN 0.099 nan 8.230 nan 0.000 0.468 94 F N 0.210 120.097 119.950 -0.105 0.000 2.495 94 F HA 0.521 5.048 4.527 -0.000 0.000 0.327 94 F C 0.499 176.324 175.800 0.042 0.000 1.103 94 F CA -1.292 56.706 58.000 -0.003 0.000 0.949 94 F CB 1.301 40.279 39.000 -0.038 0.000 1.142 94 F HN -0.183 nan 8.300 nan 0.000 0.457 95 R N 2.025 122.675 120.500 0.249 0.000 2.797 95 R HA 0.362 4.702 4.340 -0.000 0.000 0.251 95 R C -2.086 174.283 176.300 0.115 0.000 1.107 95 R CA -2.204 53.989 56.100 0.155 0.000 1.084 95 R CB 0.326 30.700 30.300 0.122 0.000 1.205 95 R HN 0.239 nan 8.270 nan 0.000 0.515 96 P HA -0.102 nan 4.420 nan 0.000 0.223 96 P C 0.732 178.049 177.300 0.029 0.000 1.151 96 P CA 1.318 64.448 63.100 0.050 0.000 0.787 96 P CB 0.195 31.920 31.700 0.041 0.000 0.788 97 K N -1.008 119.411 120.400 0.030 0.000 2.432 97 K HA -0.029 4.291 4.320 -0.000 0.000 0.196 97 K C 0.726 177.325 176.600 -0.001 0.000 1.038 97 K CA 1.069 57.363 56.287 0.012 0.000 0.986 97 K CB -0.351 32.156 32.500 0.012 0.000 0.782 97 K HN 0.027 nan 8.250 nan 0.000 0.485 98 D N 1.332 121.737 120.400 0.008 0.000 2.354 98 D HA 0.109 4.749 4.640 -0.000 0.000 0.209 98 D C 0.630 176.877 176.300 -0.089 0.000 1.015 98 D CA 0.064 54.046 54.000 -0.029 0.000 0.867 98 D CB 0.090 40.899 40.800 0.015 0.000 0.933 98 D HN 0.234 nan 8.370 nan 0.000 0.520 99 I N 0.629 121.162 120.570 -0.062 0.000 2.919 99 I HA -0.034 4.136 4.170 -0.000 0.000 0.303 99 I C 1.819 177.879 176.117 -0.095 0.000 1.221 99 I CA 1.113 62.363 61.300 -0.083 0.000 1.444 99 I CB 0.400 38.375 38.000 -0.043 0.000 1.331 99 I HN 0.204 nan 8.210 nan 0.000 0.572 100 G N 5.022 113.750 108.800 -0.120 0.000 2.308 100 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.221 100 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.221 100 G C 0.495 175.304 174.900 -0.152 0.000 1.032 100 G CA -0.369 44.665 45.100 -0.110 0.000 0.623 100 G HN 0.582 nan 8.290 nan 0.000 0.506 101 R N 1.278 121.663 120.500 -0.191 0.000 2.649 101 R HA 0.464 4.804 4.340 -0.000 0.000 0.270 101 R C -2.614 173.463 176.300 -0.372 0.000 1.105 101 R CA -1.469 54.482 56.100 -0.247 0.000 1.193 101 R CB 0.097 30.273 30.300 -0.207 0.000 1.120 101 R HN 0.125 nan 8.270 nan 0.000 0.561 102 P HA 0.059 nan 4.420 nan 0.000 0.276 102 P C -0.305 176.721 177.300 -0.456 0.000 1.253 102 P CA 0.073 62.756 63.100 -0.695 0.000 0.766 102 P CB 0.730 31.801 31.700 -1.049 0.000 0.845 103 K N 3.213 123.369 120.400 -0.408 0.000 2.015 103 K HA -0.251 4.069 4.320 -0.000 0.000 0.216 103 K C 1.972 178.532 176.600 -0.067 0.000 1.052 103 K CA 2.115 58.188 56.287 -0.356 0.000 0.937 103 K CB -0.835 31.564 32.500 -0.168 0.000 0.719 103 K HN 0.441 nan 8.250 nan 0.000 0.446 104 A N 1.685 124.491 122.820 -0.024 0.000 1.915 104 A HA -0.315 4.005 4.320 -0.000 0.000 0.220 104 A C 2.154 179.744 177.584 0.010 0.000 1.198 104 A CA 2.156 54.219 52.037 0.043 0.000 0.647 104 A CB -0.646 18.415 19.000 0.103 0.000 0.825 104 A HN 0.507 nan 8.150 nan 0.000 0.456 105 E N -0.409 119.749 120.200 -0.070 0.000 2.015 105 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 105 E C 1.996 178.591 176.600 -0.009 0.000 0.991 105 E CA 1.597 57.959 56.400 -0.064 0.000 0.802 105 E CB -0.178 29.439 29.700 -0.139 0.000 0.759 105 E HN 0.331 nan 8.360 nan 0.000 0.447 106 V N 1.640 121.547 119.914 -0.011 0.000 2.324 106 V HA -0.311 3.809 4.120 -0.000 0.000 0.250 106 V C 2.541 178.763 176.094 0.214 0.000 1.060 106 V CA 1.929 64.287 62.300 0.097 0.000 1.042 106 V CB -1.001 30.877 31.823 0.091 0.000 0.650 106 V HN 0.436 nan 8.190 nan 0.000 0.450 107 A N 0.026 122.995 122.820 0.250 0.000 1.908 107 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 107 A C 2.427 180.064 177.584 0.089 0.000 1.181 107 A CA 2.288 54.417 52.037 0.154 0.000 0.627 107 A CB -0.793 18.286 19.000 0.131 0.000 0.818 107 A HN 0.597 nan 8.150 nan 0.000 0.445 108 A N -0.556 122.307 122.820 0.071 0.000 1.898 108 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 108 A C 2.030 179.656 177.584 0.071 0.000 1.181 108 A CA 1.678 53.745 52.037 0.049 0.000 0.620 108 A CB -0.549 18.456 19.000 0.008 0.000 0.819 108 A HN 0.676 nan 8.150 nan 0.000 0.442 109 E N -0.951 119.293 120.200 0.074 0.000 2.049 109 E HA -0.246 4.104 4.350 -0.000 0.000 0.198 109 E C 1.815 178.470 176.600 0.093 0.000 1.007 109 E CA 1.597 58.034 56.400 0.061 0.000 0.809 109 E CB -0.300 29.430 29.700 0.050 0.000 0.749 109 E HN 0.624 nan 8.360 nan 0.000 0.450 110 F N 0.552 120.496 119.950 -0.010 0.000 2.014 110 F HA -0.266 4.261 4.527 0.000 0.000 0.295 110 F C 2.326 178.116 175.800 -0.018 0.000 1.145 110 F CA 0.980 58.966 58.000 -0.024 0.000 1.178 110 F CB -0.237 38.723 39.000 -0.067 0.000 0.972 110 F HN 0.107 nan 8.300 nan 0.000 0.476 111 L N 1.178 122.622 121.223 0.369 0.000 2.051 111 L HA -0.327 4.013 4.340 -0.000 0.000 0.214 111 L C 1.967 178.938 176.870 0.169 0.000 1.076 111 L CA 1.777 56.756 54.840 0.231 0.000 0.758 111 L CB -1.647 40.478 42.059 0.109 0.000 0.890 111 L HN 0.304 nan 8.230 nan 0.000 0.433 112 N N -0.485 118.286 118.700 0.119 0.000 2.520 112 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 112 N C 1.426 176.975 175.510 0.064 0.000 1.068 112 N CA 1.279 54.378 53.050 0.082 0.000 0.911 112 N CB 0.084 38.602 38.487 0.052 0.000 0.961 112 N HN 0.556 nan 8.380 nan 0.000 0.446 113 D N -0.258 120.171 120.400 0.047 0.000 2.490 113 D HA 0.047 4.687 4.640 -0.000 0.000 0.244 113 D C 1.980 178.289 176.300 0.016 0.000 0.979 113 D CA 0.106 54.103 54.000 -0.006 0.000 0.924 113 D CB 0.299 41.039 40.800 -0.099 0.000 1.075 113 D HN -0.154 nan 8.370 nan 0.000 0.488 114 R N -0.004 120.533 120.500 0.062 0.000 2.092 114 R HA 0.094 4.434 4.340 -0.000 0.000 0.231 114 R C -0.146 176.237 176.300 0.138 0.000 1.119 114 R CA 0.819 56.990 56.100 0.119 0.000 0.970 114 R CB -0.135 30.352 30.300 0.311 0.000 0.864 114 R HN 0.071 nan 8.270 nan 0.000 0.440 115 V N 2.364 122.373 119.914 0.159 0.000 2.277 115 V HA 0.213 4.333 4.120 -0.000 0.000 0.269 115 V C -1.732 174.460 176.094 0.164 0.000 1.036 115 V CA -1.535 60.868 62.300 0.171 0.000 0.821 115 V CB 1.368 33.303 31.823 0.188 0.000 1.052 115 V HN 0.179 nan 8.190 nan 0.000 0.462 116 P HA -0.256 nan 4.420 nan 0.000 0.232 116 P C 0.739 178.129 177.300 0.149 0.000 1.135 116 P CA 1.866 65.074 63.100 0.181 0.000 0.969 116 P CB 0.103 31.990 31.700 0.312 0.000 0.777 117 N N -3.375 115.420 118.700 0.158 0.000 2.451 117 N HA 0.084 4.824 4.740 -0.000 0.000 0.271 117 N C -0.549 175.037 175.510 0.127 0.000 1.410 117 N CA -0.248 52.880 53.050 0.130 0.000 0.884 117 N CB -0.055 38.509 38.487 0.128 0.000 1.332 117 N HN 0.123 nan 8.380 nan 0.000 0.498 118 C N 1.135 120.516 119.300 0.135 0.000 2.676 118 C HA 0.183 4.643 4.460 -0.000 0.000 0.416 118 C C 1.298 176.342 174.990 0.090 0.000 1.299 118 C CA 0.186 59.281 59.018 0.128 0.000 2.048 118 C CB -0.215 27.608 27.740 0.137 0.000 2.713 118 C HN 0.397 nan 8.230 nan 0.000 0.624 119 N N 2.782 121.530 118.700 0.080 0.000 2.598 119 N HA 0.187 4.927 4.740 -0.000 0.000 0.309 119 N C -0.730 174.798 175.510 0.030 0.000 1.645 119 N CA -0.188 52.891 53.050 0.048 0.000 0.936 119 N CB 0.306 38.820 38.487 0.045 0.000 1.323 119 N HN 0.448 nan 8.380 nan 0.000 0.497 120 V N 1.168 121.103 119.914 0.034 0.000 2.485 120 V HA 0.091 4.211 4.120 -0.000 0.000 0.287 120 V C 0.360 176.414 176.094 -0.066 0.000 1.022 120 V CA -0.207 62.100 62.300 0.012 0.000 1.067 120 V CB 0.814 32.658 31.823 0.036 0.000 0.967 120 V HN 0.030 nan 8.190 nan 0.000 0.479 121 V N 8.705 128.517 119.914 -0.170 0.000 2.347 121 V HA 0.367 4.487 4.120 -0.000 0.000 0.280 121 V C -1.856 174.041 176.094 -0.329 0.000 1.021 121 V CA -1.575 60.530 62.300 -0.326 0.000 0.847 121 V CB 1.599 33.025 31.823 -0.662 0.000 0.990 121 V HN 0.748 nan 8.190 nan 0.000 0.444 122 P HA 0.359 nan 4.420 nan 0.000 0.279 122 P C -1.016 176.070 177.300 -0.356 0.000 1.252 122 P CA -0.341 62.652 63.100 -0.179 0.000 0.811 122 P CB 1.086 32.744 31.700 -0.071 0.000 1.035 123 H N 1.819 120.989 119.070 0.167 0.000 2.974 123 H HA 0.152 4.708 4.556 -0.000 0.000 0.285 123 H C -0.849 174.648 175.328 0.281 0.000 1.227 123 H CA -0.461 55.726 56.048 0.233 0.000 1.569 123 H CB 0.145 30.062 29.762 0.258 0.000 1.648 123 H HN 0.306 nan 8.280 nan 0.000 0.521 124 F N 4.359 124.395 119.950 0.143 0.000 2.662 124 F HA 0.189 4.716 4.527 -0.000 0.000 0.365 124 F C -0.411 175.431 175.800 0.070 0.000 1.222 124 F CA -0.352 57.695 58.000 0.078 0.000 1.315 124 F CB -0.647 38.366 39.000 0.022 0.000 1.711 124 F HN 0.353 nan 8.300 nan 0.000 0.651 125 N N 2.458 121.234 118.700 0.126 0.000 3.229 125 N HA 0.382 5.122 4.740 -0.000 0.000 0.315 125 N C -1.337 174.183 175.510 0.015 0.000 1.520 125 N CA -0.840 52.176 53.050 -0.057 0.000 0.769 125 N CB 2.064 40.551 38.487 0.001 0.000 1.766 125 N HN 0.257 nan 8.380 nan 0.000 0.618 126 K N -0.036 120.332 120.400 -0.053 0.000 2.324 126 K HA 0.399 4.719 4.320 -0.000 0.000 0.253 126 K C 1.203 177.802 176.600 -0.002 0.000 0.932 126 K CA -0.645 55.619 56.287 -0.039 0.000 0.799 126 K CB 1.737 34.160 32.500 -0.128 0.000 1.154 126 K HN 0.620 nan 8.250 nan 0.000 0.425 127 I N -1.128 119.462 120.570 0.032 0.000 2.367 127 I HA -0.368 3.802 4.170 -0.000 0.000 0.256 127 I C 1.233 177.220 176.117 -0.216 0.000 1.132 127 I CA 1.232 62.590 61.300 0.097 0.000 1.397 127 I CB -0.408 37.627 38.000 0.059 0.000 1.074 127 I HN 0.619 nan 8.210 nan 0.000 0.435 128 Q N 1.167 120.621 119.800 -0.577 0.000 2.369 128 Q HA -0.107 4.233 4.340 -0.000 0.000 0.206 128 Q C 1.610 177.437 176.000 -0.290 0.000 0.963 128 Q CA 1.217 56.546 55.803 -0.789 0.000 0.894 128 Q CB -0.251 28.062 28.738 -0.709 0.000 0.965 128 Q HN 0.580 nan 8.270 nan 0.000 0.475 129 D N -0.408 119.834 120.400 -0.264 0.000 2.178 129 D HA -0.083 4.557 4.640 -0.000 0.000 0.202 129 D C -0.167 175.877 176.300 -0.426 0.000 0.974 129 D CA 0.837 54.593 54.000 -0.406 0.000 0.841 129 D CB 0.075 40.470 40.800 -0.675 0.000 0.953 129 D HN 0.150 nan 8.370 nan 0.000 0.478 130 F N 0.816 120.720 119.950 -0.076 0.000 2.403 130 F HA 0.294 4.821 4.527 -0.000 0.000 0.326 130 F C 0.970 176.958 175.800 0.313 0.000 1.081 130 F CA -1.186 56.790 58.000 -0.041 0.000 1.041 130 F CB 0.641 39.420 39.000 -0.367 0.000 1.234 130 F HN -0.204 nan 8.300 nan 0.000 0.503 131 N N -1.175 117.812 118.700 0.480 0.000 2.545 131 N HA 0.195 4.935 4.740 -0.000 0.000 0.289 131 N C 0.238 176.054 175.510 0.509 0.000 1.279 131 N CA -0.689 52.653 53.050 0.486 0.000 0.824 131 N CB 0.298 38.954 38.487 0.281 0.000 1.395 131 N HN 0.560 nan 8.380 nan 0.000 0.526 132 D N -0.931 119.704 120.400 0.392 0.000 2.244 132 D HA -0.274 4.366 4.640 -0.000 0.000 0.197 132 D C 0.821 177.267 176.300 0.243 0.000 1.006 132 D CA 2.005 56.188 54.000 0.306 0.000 0.888 132 D CB -1.016 39.878 40.800 0.157 0.000 0.912 132 D HN 0.593 nan 8.370 nan 0.000 0.452 133 T N -0.474 114.204 114.554 0.207 0.000 2.821 133 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 133 T C 1.342 176.117 174.700 0.124 0.000 1.046 133 T CA 1.005 63.187 62.100 0.136 0.000 1.139 133 T CB -0.455 68.486 68.868 0.122 0.000 0.871 133 T HN 0.246 nan 8.240 nan 0.000 0.454 134 F N 0.826 120.780 119.950 0.008 0.000 2.128 134 F HA 0.019 4.546 4.527 -0.000 0.000 0.295 134 F C 1.771 177.471 175.800 -0.167 0.000 1.100 134 F CA 0.819 58.734 58.000 -0.141 0.000 1.260 134 F CB -0.495 38.382 39.000 -0.205 0.000 1.009 134 F HN 0.188 nan 8.300 nan 0.000 0.476 135 Y N -0.085 120.259 120.300 0.074 0.000 2.373 135 Y HA -0.066 4.484 4.550 0.000 0.000 0.293 135 Y C 2.681 178.578 175.900 -0.006 0.000 1.129 135 Y CA 1.249 59.377 58.100 0.047 0.000 1.226 135 Y CB -0.644 37.898 38.460 0.138 0.000 1.000 135 Y HN -0.022 nan 8.280 nan 0.000 0.549 136 R N 0.914 121.468 120.500 0.090 0.000 2.105 136 R HA -0.265 4.075 4.340 -0.000 0.000 0.239 136 R C 2.298 178.537 176.300 -0.101 0.000 1.135 136 R CA 1.773 57.877 56.100 0.007 0.000 0.967 136 R CB -0.313 29.986 30.300 -0.001 0.000 0.861 136 R HN 0.467 nan 8.270 nan 0.000 0.442 137 Q N -0.186 119.453 119.800 -0.268 0.000 2.234 137 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 137 Q C -0.419 175.280 176.000 -0.500 0.000 0.980 137 Q CA 1.040 56.560 55.803 -0.472 0.000 0.869 137 Q CB -0.001 28.271 28.738 -0.776 0.000 0.912 137 Q HN 0.176 nan 8.270 nan 0.000 0.436 138 F N -0.547 119.299 119.950 -0.174 0.000 2.375 138 F HA 0.148 4.675 4.527 -0.000 0.000 0.333 138 F C 1.172 177.016 175.800 0.072 0.000 1.104 138 F CA -0.723 57.230 58.000 -0.078 0.000 1.149 138 F CB 0.811 39.697 39.000 -0.190 0.000 1.190 138 F HN 0.009 nan 8.300 nan 0.000 0.533 139 H N 1.614 120.739 119.070 0.091 0.000 2.343 139 H HA 0.283 4.839 4.556 -0.000 0.000 0.303 139 H C 0.140 175.487 175.328 0.030 0.000 1.068 139 H CA 1.147 57.218 56.048 0.039 0.000 1.359 139 H CB 0.041 29.828 29.762 0.041 0.000 1.402 139 H HN 0.292 nan 8.280 nan 0.000 0.515 140 I N 0.310 120.982 120.570 0.170 0.000 2.769 140 I HA 0.304 4.474 4.170 -0.000 0.000 0.298 140 I C -0.998 175.097 176.117 -0.036 0.000 1.128 140 I CA -0.639 60.684 61.300 0.038 0.000 1.031 140 I CB 3.249 41.245 38.000 -0.007 0.000 1.235 140 I HN -0.106 nan 8.210 nan 0.000 0.423 141 I N 5.236 125.764 120.570 -0.069 0.000 2.466 141 I HA 0.449 4.619 4.170 -0.000 0.000 0.289 141 I C -0.972 175.078 176.117 -0.112 0.000 1.026 141 I CA -0.855 60.370 61.300 -0.126 0.000 1.078 141 I CB 2.187 40.130 38.000 -0.094 0.000 1.249 141 I HN 0.131 nan 8.210 nan 0.000 0.429 142 V N 5.418 125.252 119.914 -0.133 0.000 2.448 142 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 142 V C -0.154 175.890 176.094 -0.084 0.000 1.025 142 V CA -0.587 61.648 62.300 -0.109 0.000 0.859 142 V CB 1.652 33.397 31.823 -0.130 0.000 0.988 142 V HN 0.968 nan 8.190 nan 0.000 0.431 143 C N 1.960 121.225 119.300 -0.059 0.000 2.779 143 C HA 0.992 5.452 4.460 -0.000 0.000 0.314 143 C C 0.537 175.513 174.990 -0.023 0.000 1.231 143 C CA -0.166 58.833 59.018 -0.032 0.000 1.652 143 C CB 1.381 29.115 27.740 -0.010 0.000 2.198 143 C HN 1.145 nan 8.230 nan 0.000 0.483 144 G N 2.488 111.283 108.800 -0.007 0.000 4.370 144 G HA2 0.497 4.457 3.960 -0.000 0.000 0.295 144 G HA3 0.497 4.457 3.960 -0.000 0.000 0.295 144 G C -0.522 174.387 174.900 0.014 0.000 1.312 144 G CA -0.313 44.786 45.100 -0.002 0.000 0.845 144 G HN 0.830 nan 8.290 nan 0.000 0.531 145 L N 0.233 121.469 121.223 0.021 0.000 2.479 145 L HA 0.374 4.714 4.340 -0.000 0.000 0.248 145 L C 1.035 177.919 176.870 0.023 0.000 1.205 145 L CA -0.547 54.309 54.840 0.028 0.000 0.817 145 L CB 0.838 42.920 42.059 0.038 0.000 1.162 145 L HN 0.407 nan 8.230 nan 0.000 0.486 146 D N -2.133 118.277 120.400 0.017 0.000 2.540 146 D HA 0.066 4.706 4.640 -0.000 0.000 0.229 146 D C -0.079 176.217 176.300 -0.007 0.000 1.250 146 D CA -0.103 53.902 54.000 0.007 0.000 0.817 146 D CB 0.278 41.082 40.800 0.007 0.000 1.060 146 D HN 0.383 nan 8.370 nan 0.000 0.508 147 S N -0.852 114.844 115.700 -0.007 0.000 2.542 147 S HA 0.531 5.001 4.470 -0.000 0.000 0.293 147 S C 0.989 175.571 174.600 -0.030 0.000 1.089 147 S CA -0.849 57.335 58.200 -0.027 0.000 0.961 147 S CB 1.509 64.698 63.200 -0.018 0.000 1.062 147 S HN -0.039 nan 8.310 nan 0.000 0.483 148 I N 1.107 121.624 120.570 -0.089 0.000 2.163 148 I HA -0.138 4.032 4.170 -0.000 0.000 0.240 148 I C 1.797 177.914 176.117 0.000 0.000 1.081 148 I CA 1.152 62.387 61.300 -0.109 0.000 1.353 148 I CB -0.537 37.281 38.000 -0.302 0.000 1.054 148 I HN 0.621 nan 8.210 nan 0.000 0.407 149 I N 1.610 122.181 120.570 0.003 0.000 2.181 149 I HA -0.332 3.838 4.170 -0.000 0.000 0.247 149 I C 2.683 178.871 176.117 0.119 0.000 1.081 149 I CA 1.945 63.280 61.300 0.057 0.000 1.340 149 I CB -1.100 36.925 38.000 0.041 0.000 1.036 149 I HN 0.180 nan 8.210 nan 0.000 0.417 150 A N 0.197 123.072 122.820 0.092 0.000 1.897 150 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 150 A C 2.475 180.155 177.584 0.161 0.000 1.181 150 A CA 1.280 53.394 52.037 0.127 0.000 0.620 150 A CB -0.510 18.526 19.000 0.060 0.000 0.821 150 A HN 0.349 nan 8.150 nan 0.000 0.443 151 R N -0.531 120.036 120.500 0.111 0.000 2.120 151 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 151 R C 2.402 178.768 176.300 0.109 0.000 1.123 151 R CA 1.470 57.633 56.100 0.105 0.000 0.975 151 R CB -0.251 30.116 30.300 0.111 0.000 0.866 151 R HN 0.517 nan 8.270 nan 0.000 0.446 152 R N -0.785 119.789 120.500 0.122 0.000 2.062 152 R HA -0.152 4.188 4.340 -0.000 0.000 0.229 152 R C 1.956 178.303 176.300 0.078 0.000 1.128 152 R CA 1.436 57.593 56.100 0.094 0.000 0.960 152 R CB -0.395 29.964 30.300 0.097 0.000 0.855 152 R HN 0.292 nan 8.270 nan 0.000 0.432 153 W N 1.580 122.877 121.300 -0.006 0.000 2.332 153 W HA -0.223 4.437 4.660 -0.000 0.000 0.321 153 W C 2.001 178.487 176.519 -0.055 0.000 1.219 153 W CA 1.386 58.721 57.345 -0.017 0.000 1.277 153 W CB -0.393 29.064 29.460 -0.005 0.000 1.161 153 W HN -0.009 nan 8.180 nan 0.000 0.476 154 I N 1.570 122.330 120.570 0.316 0.000 2.454 154 I HA -0.295 3.875 4.170 -0.000 0.000 0.254 154 I C 2.028 178.068 176.117 -0.128 0.000 1.156 154 I CA 2.296 63.653 61.300 0.095 0.000 1.433 154 I CB -0.942 37.124 38.000 0.110 0.000 1.082 154 I HN 0.155 nan 8.210 nan 0.000 0.432 155 N N 0.334 118.986 118.700 -0.079 0.000 2.188 155 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 155 N C 2.004 177.416 175.510 -0.163 0.000 1.018 155 N CA 1.601 54.594 53.050 -0.094 0.000 0.858 155 N CB -0.597 37.867 38.487 -0.038 0.000 0.989 155 N HN 0.400 nan 8.380 nan 0.000 0.426 156 G N 0.258 108.912 108.800 -0.244 0.000 2.404 156 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.215 156 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.215 156 G C 1.476 176.163 174.900 -0.355 0.000 1.174 156 G CA 1.028 45.951 45.100 -0.295 0.000 0.780 156 G HN 0.325 nan 8.290 nan 0.000 0.537 157 M N 0.276 119.547 119.600 -0.549 0.000 2.073 157 M HA -0.004 4.476 4.480 -0.000 0.000 0.258 157 M C 2.187 178.324 176.300 -0.272 0.000 1.070 157 M CA 1.133 56.133 55.300 -0.500 0.000 1.103 157 M CB -0.505 31.669 32.600 -0.709 0.000 1.321 157 M HN 0.095 nan 8.290 nan 0.000 0.405 158 L N -0.247 120.833 121.223 -0.239 0.000 2.131 158 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 158 L C 2.371 179.176 176.870 -0.109 0.000 1.092 158 L CA 1.747 56.502 54.840 -0.142 0.000 0.759 158 L CB -1.288 40.701 42.059 -0.116 0.000 0.903 158 L HN 0.433 nan 8.230 nan 0.000 0.435 159 I N -0.704 119.795 120.570 -0.118 0.000 2.500 159 I HA -0.182 3.988 4.170 -0.000 0.000 0.252 159 I C 2.154 178.229 176.117 -0.070 0.000 1.142 159 I CA 0.991 62.242 61.300 -0.081 0.000 1.451 159 I CB -0.169 37.791 38.000 -0.067 0.000 1.093 159 I HN 0.269 nan 8.210 nan 0.000 0.430 160 S N 0.648 116.292 115.700 -0.094 0.000 2.660 160 S HA 0.083 4.553 4.470 -0.000 0.000 0.228 160 S C 1.447 176.020 174.600 -0.045 0.000 0.966 160 S CA 0.376 58.538 58.200 -0.064 0.000 0.940 160 S CB -0.473 62.675 63.200 -0.087 0.000 0.773 160 S HN 0.440 nan 8.310 nan 0.000 0.535 161 L N 0.264 121.453 121.223 -0.057 0.000 2.640 161 L HA 0.410 4.750 4.340 -0.000 0.000 0.230 161 L C 0.243 177.063 176.870 -0.084 0.000 1.123 161 L CA -0.133 54.679 54.840 -0.047 0.000 0.900 161 L CB 0.005 42.045 42.059 -0.032 0.000 1.146 161 L HN 0.275 nan 8.230 nan 0.000 0.484 162 L N 1.101 122.253 121.223 -0.119 0.000 2.410 162 L HA 0.064 4.404 4.340 -0.000 0.000 0.273 162 L C -0.211 176.500 176.870 -0.265 0.000 1.152 162 L CA 0.086 54.781 54.840 -0.242 0.000 0.855 162 L CB 0.230 42.094 42.059 -0.324 0.000 1.129 162 L HN 0.103 nan 8.230 nan 0.000 0.463 163 N N 2.415 120.933 118.700 -0.304 0.000 2.444 163 N HA 0.294 5.034 4.740 -0.000 0.000 0.262 163 N C -1.364 173.988 175.510 -0.263 0.000 0.974 163 N CA -0.266 52.666 53.050 -0.196 0.000 0.933 163 N CB 0.705 39.125 38.487 -0.112 0.000 1.137 163 N HN 0.259 nan 8.380 nan 0.000 0.498 164 Y N 0.981 121.272 120.300 -0.016 0.000 2.717 164 Y HA 0.222 4.772 4.550 0.000 0.000 0.329 164 Y C 0.368 176.260 175.900 -0.013 0.000 1.017 164 Y CA -0.715 57.376 58.100 -0.015 0.000 1.275 164 Y CB 0.479 38.929 38.460 -0.017 0.000 1.109 164 Y HN 0.315 nan 8.280 nan 0.000 0.511 165 E N 2.778 123.041 120.200 0.105 0.000 2.376 165 E HA -0.027 4.323 4.350 -0.000 0.000 0.266 165 E C -0.636 176.022 176.600 0.097 0.000 1.009 165 E CA -0.455 55.986 56.400 0.068 0.000 0.902 165 E CB 0.441 30.162 29.700 0.035 0.000 0.972 165 E HN 0.504 nan 8.360 nan 0.000 0.439 166 D N 2.387 122.829 120.400 0.070 0.000 3.450 166 D HA -0.155 4.485 4.640 -0.000 0.000 0.202 166 D C 1.318 177.643 176.300 0.043 0.000 1.070 166 D CA 1.773 55.802 54.000 0.048 0.000 0.743 166 D CB 0.121 40.933 40.800 0.021 0.000 1.157 166 D HN 0.779 nan 8.370 nan 0.000 0.557 167 G N 1.236 110.039 108.800 0.006 0.000 3.163 167 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.227 167 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.227 167 G C 0.486 175.415 174.900 0.048 0.000 1.300 167 G CA 0.508 45.588 45.100 -0.033 0.000 0.867 167 G HN 0.656 nan 8.290 nan 0.000 0.533 168 V N 2.647 122.625 119.914 0.106 0.000 2.614 168 V HA 0.594 4.714 4.120 -0.000 0.000 0.291 168 V C 0.804 177.043 176.094 0.242 0.000 1.049 168 V CA -0.245 62.139 62.300 0.139 0.000 1.038 168 V CB 1.497 33.362 31.823 0.071 0.000 0.980 168 V HN 0.630 nan 8.190 nan 0.000 0.481 169 L N 3.490 124.837 121.223 0.208 0.000 2.418 169 L HA 0.494 4.834 4.340 -0.000 0.000 0.265 169 L C -0.054 176.783 176.870 -0.055 0.000 1.143 169 L CA 0.102 54.955 54.840 0.022 0.000 0.809 169 L CB 1.158 43.208 42.059 -0.015 0.000 1.124 169 L HN 0.784 nan 8.230 nan 0.000 0.456 170 D N 5.326 125.638 120.400 -0.146 0.000 2.443 170 D HA 0.317 4.957 4.640 -0.000 0.000 0.221 170 D C -1.756 174.478 176.300 -0.110 0.000 1.097 170 D CA -2.239 51.701 54.000 -0.101 0.000 0.865 170 D CB 1.292 42.030 40.800 -0.103 0.000 1.034 170 D HN 0.369 nan 8.370 nan 0.000 0.511 171 P HA -0.225 nan 4.420 nan 0.000 0.216 171 P C 1.010 178.266 177.300 -0.074 0.000 1.154 171 P CA 1.096 64.156 63.100 -0.066 0.000 0.865 171 P CB -0.037 31.640 31.700 -0.039 0.000 0.789 172 S N -0.640 115.017 115.700 -0.072 0.000 2.595 172 S HA -0.019 4.451 4.470 -0.000 0.000 0.235 172 S C 1.617 176.162 174.600 -0.092 0.000 0.974 172 S CA 0.840 58.992 58.200 -0.079 0.000 0.942 172 S CB -1.219 61.939 63.200 -0.070 0.000 0.766 172 S HN 0.365 nan 8.310 nan 0.000 0.536 173 S N 0.015 115.655 115.700 -0.101 0.000 2.559 173 S HA 0.409 4.879 4.470 -0.000 0.000 0.226 173 S C 0.169 174.705 174.600 -0.106 0.000 1.000 173 S CA -0.694 57.443 58.200 -0.105 0.000 0.948 173 S CB -0.447 62.679 63.200 -0.123 0.000 0.870 173 S HN 0.488 nan 8.310 nan 0.000 0.497 174 I N 2.684 123.195 120.570 -0.100 0.000 2.322 174 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 174 I C -0.680 175.399 176.117 -0.063 0.000 1.060 174 I CA -0.569 60.679 61.300 -0.086 0.000 1.309 174 I CB 1.381 39.335 38.000 -0.077 0.000 1.415 174 I HN 0.003 nan 8.210 nan 0.000 0.492 175 V N 9.518 129.402 119.914 -0.051 0.000 2.318 175 V HA 0.232 4.352 4.120 -0.000 0.000 0.271 175 V C -2.047 174.029 176.094 -0.030 0.000 1.030 175 V CA -1.743 60.541 62.300 -0.027 0.000 0.844 175 V CB 0.956 32.778 31.823 -0.001 0.000 1.015 175 V HN 0.563 nan 8.190 nan 0.000 0.460 176 P HA 0.117 nan 4.420 nan 0.000 0.264 176 P C -0.799 176.477 177.300 -0.039 0.000 1.193 176 P CA -0.109 62.971 63.100 -0.033 0.000 0.763 176 P CB 0.518 32.201 31.700 -0.029 0.000 0.810 177 L N 5.397 126.591 121.223 -0.047 0.000 2.343 177 L HA 0.468 4.808 4.340 -0.000 0.000 0.278 177 L C -1.230 175.604 176.870 -0.061 0.000 0.996 177 L CA -0.340 54.468 54.840 -0.054 0.000 0.831 177 L CB 0.597 42.624 42.059 -0.053 0.000 1.232 177 L HN 0.125 nan 8.230 nan 0.000 0.413 178 I N 3.683 124.211 120.570 -0.070 0.000 2.359 178 I HA 0.491 4.661 4.170 -0.000 0.000 0.294 178 I C -0.474 175.597 176.117 -0.076 0.000 0.987 178 I CA -0.327 60.926 61.300 -0.078 0.000 1.225 178 I CB 1.316 39.265 38.000 -0.084 0.000 1.366 178 I HN 0.676 nan 8.210 nan 0.000 0.466 179 D N 3.269 123.619 120.400 -0.084 0.000 2.819 179 D HA 0.727 5.367 4.640 -0.000 0.000 0.232 179 D C -0.530 175.716 176.300 -0.089 0.000 1.160 179 D CA -0.281 53.676 54.000 -0.071 0.000 0.858 179 D CB 2.317 43.089 40.800 -0.047 0.000 1.610 179 D HN 0.751 nan 8.370 nan 0.000 0.481 180 G N 0.489 109.251 108.800 -0.063 0.000 2.533 180 G HA2 0.708 4.668 3.960 -0.000 0.000 0.304 180 G HA3 0.708 4.668 3.960 -0.000 0.000 0.304 180 G C -0.720 174.165 174.900 -0.026 0.000 1.263 180 G CA -0.715 44.347 45.100 -0.065 0.000 0.964 180 G HN 0.584 nan 8.290 nan 0.000 0.479 181 G N -1.301 107.491 108.800 -0.013 0.000 2.619 181 G HA2 0.680 4.640 3.960 -0.000 0.000 0.296 181 G HA3 0.680 4.640 3.960 -0.000 0.000 0.296 181 G C -1.354 173.569 174.900 0.038 0.000 1.334 181 G CA -0.444 44.673 45.100 0.028 0.000 0.934 181 G HN 0.730 nan 8.290 nan 0.000 0.476 182 T N 0.080 114.661 114.554 0.045 0.000 3.012 182 T HA 0.581 4.931 4.350 -0.000 0.000 0.330 182 T C -1.691 173.033 174.700 0.040 0.000 1.321 182 T CA -0.491 61.639 62.100 0.050 0.000 1.067 182 T CB 1.780 70.664 68.868 0.027 0.000 1.235 182 T HN 0.481 nan 8.240 nan 0.000 0.479 183 E N 2.155 122.380 120.200 0.043 0.000 2.466 183 E HA 0.447 4.797 4.350 -0.000 0.000 0.308 183 E C 0.392 176.979 176.600 -0.022 0.000 0.933 183 E CA -0.294 56.113 56.400 0.011 0.000 0.800 183 E CB 1.313 31.035 29.700 0.036 0.000 1.434 183 E HN 1.050 nan 8.360 nan 0.000 0.389 184 G N 2.343 111.072 108.800 -0.117 0.000 2.591 184 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.298 184 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.298 184 G C 0.251 174.959 174.900 -0.319 0.000 1.195 184 G CA 0.506 45.424 45.100 -0.304 0.000 0.989 184 G HN 0.495 nan 8.290 nan 0.000 0.551 185 F N 2.106 122.099 119.950 0.072 0.000 2.664 185 F HA 0.480 5.007 4.527 -0.000 0.000 0.301 185 F C 1.062 176.919 175.800 0.095 0.000 1.126 185 F CA 0.363 58.417 58.000 0.091 0.000 1.373 185 F CB 0.429 39.455 39.000 0.044 0.000 1.042 185 F HN 0.031 nan 8.300 nan 0.000 0.535 186 K N -0.049 120.486 120.400 0.225 0.000 2.267 186 K HA 0.816 5.136 4.320 -0.000 0.000 0.246 186 K C -0.027 176.714 176.600 0.234 0.000 0.954 186 K CA -0.606 55.806 56.287 0.209 0.000 0.824 186 K CB 2.060 34.650 32.500 0.151 0.000 1.167 186 K HN 0.047 nan 8.250 nan 0.000 0.431 187 G N 0.851 109.816 108.800 0.276 0.000 2.576 187 G HA2 0.449 4.409 3.960 -0.000 0.000 0.290 187 G HA3 0.449 4.409 3.960 -0.000 0.000 0.290 187 G C -1.959 173.046 174.900 0.175 0.000 1.442 187 G CA -0.833 44.386 45.100 0.198 0.000 0.792 187 G HN 0.673 nan 8.290 nan 0.000 0.491 188 N N -0.915 117.822 118.700 0.063 0.000 2.484 188 N HA 0.723 5.463 4.740 -0.000 0.000 0.269 188 N C -0.905 174.514 175.510 -0.152 0.000 1.237 188 N CA -0.338 52.689 53.050 -0.038 0.000 0.838 188 N CB 2.074 40.510 38.487 -0.085 0.000 1.593 188 N HN 1.198 nan 8.380 nan 0.000 0.485 189 A N 0.487 123.163 122.820 -0.239 0.000 2.423 189 A HA 0.870 5.189 4.320 -0.000 0.000 0.304 189 A C -0.688 176.682 177.584 -0.357 0.000 1.104 189 A CA -0.751 51.146 52.037 -0.233 0.000 0.757 189 A CB 1.751 20.653 19.000 -0.163 0.000 1.313 189 A HN 0.856 nan 8.150 nan 0.000 0.423 190 R N 0.318 120.652 120.500 -0.276 0.000 2.643 190 R HA 0.615 4.955 4.340 -0.000 0.000 0.269 190 R C -2.313 173.892 176.300 -0.159 0.000 1.037 190 R CA -0.435 55.499 56.100 -0.277 0.000 0.894 190 R CB 2.164 32.267 30.300 -0.328 0.000 1.238 190 R HN 0.546 nan 8.270 nan 0.000 0.459 191 V N 5.368 125.206 119.914 -0.127 0.000 2.378 191 V HA 0.464 4.584 4.120 -0.000 0.000 0.288 191 V C -0.081 175.973 176.094 -0.067 0.000 1.016 191 V CA -0.561 61.687 62.300 -0.087 0.000 0.840 191 V CB 1.438 33.217 31.823 -0.073 0.000 0.994 191 V HN 0.601 nan 8.190 nan 0.000 0.431 192 I N 5.579 126.115 120.570 -0.057 0.000 2.460 192 I HA 0.489 4.659 4.170 -0.000 0.000 0.298 192 I C -0.588 175.506 176.117 -0.039 0.000 0.989 192 I CA -0.602 60.673 61.300 -0.043 0.000 1.173 192 I CB 1.922 39.899 38.000 -0.039 0.000 1.338 192 I HN 0.374 nan 8.210 nan 0.000 0.456 193 L N 7.483 128.687 121.223 -0.031 0.000 2.454 193 L HA 0.379 4.719 4.340 -0.000 0.000 0.258 193 L C -2.466 174.387 176.870 -0.028 0.000 1.025 193 L CA -1.757 53.065 54.840 -0.030 0.000 0.901 193 L CB 1.331 43.377 42.059 -0.023 0.000 1.210 193 L HN 0.226 nan 8.230 nan 0.000 0.457 194 P HA -0.046 nan 4.420 nan 0.000 0.259 194 P C 0.955 178.240 177.300 -0.025 0.000 1.163 194 P CA 1.125 64.204 63.100 -0.035 0.000 0.760 194 P CB 0.619 32.287 31.700 -0.053 0.000 0.762 195 G N 2.860 111.666 108.800 0.010 0.000 2.162 195 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 195 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 195 G C 0.613 175.542 174.900 0.049 0.000 0.976 195 G CA 0.314 45.450 45.100 0.060 0.000 0.655 195 G HN 0.439 nan 8.290 nan 0.000 0.533 196 M N -1.366 118.245 119.600 0.019 0.000 2.102 196 M HA 0.197 4.677 4.480 -0.000 0.000 0.199 196 M C 0.993 177.298 176.300 0.008 0.000 1.558 196 M CA 1.083 56.392 55.300 0.015 0.000 0.982 196 M CB -0.192 32.410 32.600 0.003 0.000 1.521 196 M HN 0.070 nan 8.290 nan 0.000 0.571 197 T N 1.258 115.811 114.554 -0.001 0.000 2.936 197 T HA 0.652 5.002 4.350 -0.000 0.000 0.282 197 T C -0.291 174.405 174.700 -0.007 0.000 1.003 197 T CA -0.489 61.607 62.100 -0.006 0.000 1.005 197 T CB 1.836 70.695 68.868 -0.016 0.000 1.097 197 T HN 0.291 nan 8.240 nan 0.000 0.532 198 A N 1.213 124.028 122.820 -0.008 0.000 2.515 198 A HA 0.357 4.677 4.320 -0.000 0.000 0.263 198 A C 1.135 178.716 177.584 -0.004 0.000 1.096 198 A CA -0.671 51.364 52.037 -0.004 0.000 0.769 198 A CB -1.252 17.747 19.000 -0.002 0.000 1.040 198 A HN 1.058 nan 8.150 nan 0.000 0.505 199 C N 2.775 122.072 119.300 -0.005 0.000 2.711 199 C HA 0.384 4.844 4.460 -0.000 0.000 0.306 199 C C 1.843 176.835 174.990 0.004 0.000 1.479 199 C CA -0.669 58.345 59.018 -0.007 0.000 2.271 199 C CB -0.316 27.416 27.740 -0.013 0.000 2.155 199 C HN 0.749 nan 8.230 nan 0.000 0.674 200 I N 1.172 121.747 120.570 0.009 0.000 2.394 200 I HA -0.087 4.083 4.170 -0.000 0.000 0.251 200 I C 2.594 178.735 176.117 0.041 0.000 1.136 200 I CA 1.552 62.872 61.300 0.034 0.000 1.425 200 I CB -1.050 36.979 38.000 0.049 0.000 1.079 200 I HN 0.746 nan 8.210 nan 0.000 0.425 201 E N 0.188 120.403 120.200 0.024 0.000 2.107 201 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 201 E C 2.290 178.897 176.600 0.011 0.000 0.982 201 E CA 0.807 57.221 56.400 0.024 0.000 0.809 201 E CB -0.356 29.347 29.700 0.004 0.000 0.756 201 E HN 0.455 nan 8.360 nan 0.000 0.459 202 C N 0.922 120.223 119.300 0.002 0.000 2.413 202 C HA -0.072 4.388 4.460 -0.000 0.000 0.292 202 C C 2.107 177.094 174.990 -0.006 0.000 1.435 202 C CA 1.586 60.603 59.018 -0.003 0.000 1.791 202 C CB -1.331 26.408 27.740 -0.002 0.000 1.784 202 C HN 0.452 nan 8.230 nan 0.000 0.548 203 T N -3.829 110.717 114.554 -0.012 0.000 3.275 203 T HA 0.171 4.521 4.350 -0.000 0.000 0.298 203 T C 0.974 175.612 174.700 -0.103 0.000 0.988 203 T CA -0.202 61.869 62.100 -0.049 0.000 0.936 203 T CB -0.341 68.502 68.868 -0.041 0.000 1.159 203 T HN 0.149 nan 8.240 nan 0.000 0.519 204 L N 2.042 123.254 121.223 -0.019 0.000 2.270 204 L HA -0.086 4.254 4.340 -0.000 0.000 0.217 204 L C 2.261 179.171 176.870 0.066 0.000 1.107 204 L CA 1.806 56.689 54.840 0.070 0.000 0.772 204 L CB -0.407 41.717 42.059 0.108 0.000 0.902 204 L HN 0.308 nan 8.230 nan 0.000 0.439 205 E N -0.484 119.716 120.200 -0.000 0.000 2.046 205 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 205 E C 2.170 178.760 176.600 -0.017 0.000 0.982 205 E CA 1.087 57.495 56.400 0.014 0.000 0.800 205 E CB -0.494 29.206 29.700 -0.001 0.000 0.756 205 E HN 0.511 nan 8.360 nan 0.000 0.449 206 L N 0.844 122.002 121.223 -0.110 0.000 2.671 206 L HA -0.166 4.174 4.340 -0.000 0.000 0.236 206 L C 0.893 177.705 176.870 -0.097 0.000 1.178 206 L CA 0.697 55.465 54.840 -0.121 0.000 0.829 206 L CB -0.764 41.202 42.059 -0.156 0.000 0.956 206 L HN 0.088 nan 8.230 nan 0.000 0.455 207 Y N -0.242 120.098 120.300 0.067 0.000 2.298 207 Y HA 0.207 4.757 4.550 -0.000 0.000 0.329 207 Y C -1.397 174.529 175.900 0.043 0.000 1.293 207 Y CA -2.342 55.794 58.100 0.061 0.000 1.388 207 Y CB 0.124 38.613 38.460 0.049 0.000 1.309 207 Y HN -0.092 nan 8.280 nan 0.000 0.544 208 P HA 0.228 nan 4.420 nan 0.000 0.276 208 P C -2.589 174.765 177.300 0.090 0.000 1.244 208 P CA -1.116 62.063 63.100 0.131 0.000 0.801 208 P CB 0.185 31.946 31.700 0.103 0.000 1.006 209 P HA 0.236 nan 4.420 nan 0.000 0.281 209 P C -1.087 176.209 177.300 -0.007 0.000 1.249 209 P CA -0.657 62.459 63.100 0.026 0.000 0.810 209 P CB 0.477 32.189 31.700 0.019 0.000 1.008 210 Q N 0.218 120.003 119.800 -0.026 0.000 2.296 210 Q HA 0.322 4.662 4.340 -0.000 0.000 0.257 210 Q C -0.743 175.203 176.000 -0.090 0.000 0.942 210 Q CA -0.829 54.938 55.803 -0.061 0.000 0.939 210 Q CB 0.594 29.295 28.738 -0.063 0.000 1.198 210 Q HN 0.077 nan 8.270 nan 0.000 0.429 211 V N 4.049 123.879 119.914 -0.140 0.000 2.278 211 V HA -0.080 4.040 4.120 -0.000 0.000 0.235 211 V C 0.053 175.946 176.094 -0.336 0.000 1.281 211 V CA 0.313 62.480 62.300 -0.222 0.000 1.351 211 V CB -1.523 30.130 31.823 -0.285 0.000 1.411 211 V HN 0.796 nan 8.190 nan 0.000 0.491 212 N N 4.304 122.894 118.700 -0.183 0.000 2.448 212 N HA 0.250 4.990 4.740 -0.000 0.000 0.250 212 N C -0.160 175.322 175.510 -0.045 0.000 1.136 212 N CA -0.426 52.549 53.050 -0.124 0.000 0.953 212 N CB 0.275 38.740 38.487 -0.037 0.000 1.251 212 N HN 0.511 nan 8.380 nan 0.000 0.502 213 F N 3.208 123.180 119.950 0.037 0.000 2.569 213 F HA 0.003 4.530 4.527 -0.000 0.000 0.395 213 F C -1.390 174.405 175.800 -0.008 0.000 1.028 213 F CA -1.457 56.559 58.000 0.026 0.000 1.158 213 F CB -0.019 39.007 39.000 0.043 0.000 1.023 213 F HN 0.281 nan 8.300 nan 0.000 0.547 214 P HA -0.066 nan 4.420 nan 0.000 0.267 214 P C 0.557 177.881 177.300 0.039 0.000 1.209 214 P CA -0.184 62.961 63.100 0.074 0.000 0.763 214 P CB 0.726 32.453 31.700 0.046 0.000 0.816 215 M N 5.096 124.721 119.600 0.042 0.000 2.149 215 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 215 M C 1.688 177.989 176.300 0.002 0.000 1.064 215 M CA 1.869 57.188 55.300 0.031 0.000 1.102 215 M CB -1.381 31.244 32.600 0.041 0.000 1.369 215 M HN 0.388 nan 8.290 nan 0.000 0.408 216 A N -1.341 121.477 122.820 -0.003 0.000 2.272 216 A HA -0.102 4.218 4.320 -0.000 0.000 0.213 216 A C 1.955 179.507 177.584 -0.052 0.000 1.183 216 A CA 1.988 54.016 52.037 -0.015 0.000 0.719 216 A CB -1.236 17.762 19.000 -0.004 0.000 0.771 216 A HN 0.731 nan 8.150 nan 0.000 0.484 217 T N -4.350 110.143 114.554 -0.101 0.000 2.954 217 T HA 0.227 4.577 4.350 -0.000 0.000 0.252 217 T C 1.652 176.183 174.700 -0.281 0.000 0.983 217 T CA 0.541 62.522 62.100 -0.197 0.000 0.941 217 T CB -0.508 68.195 68.868 -0.276 0.000 1.141 217 T HN 0.244 nan 8.240 nan 0.000 0.500 218 I N 2.274 122.717 120.570 -0.212 0.000 2.127 218 I HA -0.005 4.165 4.170 -0.000 0.000 0.241 218 I C 2.434 178.467 176.117 -0.140 0.000 1.075 218 I CA 1.682 62.879 61.300 -0.172 0.000 1.334 218 I CB -0.335 37.657 38.000 -0.014 0.000 1.040 218 I HN 0.383 nan 8.210 nan 0.000 0.405 219 A N -1.011 121.771 122.820 -0.064 0.000 2.713 219 A HA 0.467 4.787 4.320 -0.000 0.000 0.296 219 A C 1.168 178.693 177.584 -0.098 0.000 1.255 219 A CA -0.123 51.850 52.037 -0.107 0.000 0.955 219 A CB 0.099 19.177 19.000 0.130 0.000 1.149 219 A HN 0.294 nan 8.150 nan 0.000 0.538 220 S N -0.771 114.851 115.700 -0.129 0.000 3.984 220 S HA 0.263 4.733 4.470 -0.000 0.000 0.221 220 S C 0.478 175.044 174.600 -0.057 0.000 1.149 220 S CA 0.159 58.327 58.200 -0.054 0.000 0.950 220 S CB -0.053 63.128 63.200 -0.032 0.000 1.216 220 S HN 0.449 nan 8.310 nan 0.000 0.547 221 M N 2.354 121.878 119.600 -0.127 0.000 3.062 221 M HA 0.372 4.852 4.480 -0.000 0.000 0.270 221 M C -3.047 173.134 176.300 -0.199 0.000 1.270 221 M CA -1.610 53.627 55.300 -0.106 0.000 0.702 221 M CB 1.012 33.590 32.600 -0.038 0.000 1.398 221 M HN -0.054 nan 8.290 nan 0.000 0.490 222 P HA 0.081 nan 4.420 nan 0.000 0.264 222 P C -0.065 177.186 177.300 -0.082 0.000 1.193 222 P CA 0.356 63.271 63.100 -0.308 0.000 0.763 222 P CB 0.706 32.035 31.700 -0.618 0.000 0.810 223 R N 2.253 122.878 120.500 0.207 0.000 2.383 223 R HA 0.278 4.618 4.340 -0.000 0.000 0.205 223 R C 0.217 176.499 176.300 -0.030 0.000 0.875 223 R CA 0.007 56.161 56.100 0.090 0.000 1.039 223 R CB 0.098 30.470 30.300 0.120 0.000 1.267 223 R HN 0.325 nan 8.270 nan 0.000 0.635 224 L N 1.502 122.585 121.223 -0.233 0.000 2.334 224 L HA 0.435 4.775 4.340 -0.000 0.000 0.273 224 L C -1.979 174.728 176.870 -0.272 0.000 1.013 224 L CA -2.509 52.124 54.840 -0.345 0.000 0.816 224 L CB 1.494 43.225 42.059 -0.547 0.000 1.278 224 L HN -0.320 nan 8.230 nan 0.000 0.431 225 P HA -0.203 nan 4.420 nan 0.000 0.218 225 P C 0.784 178.042 177.300 -0.071 0.000 1.146 225 P CA 1.282 64.344 63.100 -0.064 0.000 0.820 225 P CB 0.321 32.011 31.700 -0.018 0.000 0.778 226 E N -2.003 118.117 120.200 -0.133 0.000 2.107 226 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 226 E C 1.848 178.315 176.600 -0.221 0.000 0.982 226 E CA 0.933 57.272 56.400 -0.101 0.000 0.809 226 E CB -0.865 28.852 29.700 0.027 0.000 0.756 226 E HN 0.527 nan 8.360 nan 0.000 0.459 227 H N -1.033 117.804 119.070 -0.389 0.000 2.422 227 H HA -0.115 4.441 4.556 -0.000 0.000 0.298 227 H C 1.642 176.815 175.328 -0.258 0.000 1.098 227 H CA 0.873 56.637 56.048 -0.473 0.000 1.315 227 H CB 0.029 29.568 29.762 -0.373 0.000 1.382 227 H HN 0.248 nan 8.280 nan 0.000 0.523 228 C N 0.158 119.436 119.300 -0.037 0.000 2.522 228 C HA -0.031 4.429 4.460 -0.000 0.000 0.280 228 C C 2.703 177.743 174.990 0.082 0.000 1.303 228 C CA 0.132 59.153 59.018 0.005 0.000 1.709 228 C CB -0.632 27.103 27.740 -0.008 0.000 2.071 228 C HN 0.484 nan 8.230 nan 0.000 0.492 229 I N 1.422 122.024 120.570 0.054 0.000 2.163 229 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 229 I C 2.602 178.772 176.117 0.089 0.000 1.085 229 I CA 1.893 63.245 61.300 0.087 0.000 1.347 229 I CB -0.579 37.470 38.000 0.083 0.000 1.044 229 I HN 0.333 nan 8.210 nan 0.000 0.408 230 E N 0.432 120.656 120.200 0.040 0.000 2.265 230 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 230 E C 1.955 178.606 176.600 0.084 0.000 0.996 230 E CA 1.232 57.661 56.400 0.048 0.000 0.832 230 E CB -0.267 29.396 29.700 -0.061 0.000 0.756 230 E HN 0.569 nan 8.360 nan 0.000 0.491 231 Y N -0.420 119.866 120.300 -0.023 0.000 2.153 231 Y HA -0.071 4.479 4.550 -0.000 0.000 0.289 231 Y C 1.951 177.895 175.900 0.073 0.000 1.119 231 Y CA 1.457 59.559 58.100 0.004 0.000 1.116 231 Y CB -0.469 37.973 38.460 -0.031 0.000 1.004 231 Y HN -0.085 nan 8.280 nan 0.000 0.501 232 V N 2.152 122.112 119.914 0.075 0.000 2.794 232 V HA -0.293 3.827 4.120 -0.000 0.000 0.260 232 V C 2.429 178.601 176.094 0.130 0.000 1.103 232 V CA 2.250 64.580 62.300 0.051 0.000 1.125 232 V CB -0.880 31.022 31.823 0.131 0.000 0.702 232 V HN 0.433 nan 8.190 nan 0.000 0.494 233 R N -0.007 120.539 120.500 0.077 0.000 2.005 233 R HA 0.033 4.373 4.340 -0.000 0.000 0.213 233 R C 2.368 178.676 176.300 0.014 0.000 1.308 233 R CA 1.008 57.147 56.100 0.065 0.000 1.022 233 R CB -0.424 29.900 30.300 0.040 0.000 0.883 233 R HN 0.361 nan 8.270 nan 0.000 0.470 234 M N 0.966 120.566 119.600 -0.000 0.000 2.446 234 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 234 M C 0.622 176.910 176.300 -0.020 0.000 1.066 234 M CA 1.519 56.819 55.300 -0.000 0.000 1.087 234 M CB 0.134 32.753 32.600 0.031 0.000 1.406 234 M HN 0.379 nan 8.290 nan 0.000 0.459 235 L N -1.320 119.835 121.223 -0.113 0.000 3.223 235 L HA 0.039 4.379 4.340 -0.000 0.000 0.168 235 L C 2.281 179.036 176.870 -0.191 0.000 1.239 235 L CA 0.156 54.886 54.840 -0.182 0.000 0.856 235 L CB -1.017 40.860 42.059 -0.304 0.000 1.415 235 L HN 0.101 nan 8.230 nan 0.000 0.562 236 Q N 0.222 119.740 119.800 -0.470 0.000 2.197 236 Q HA -0.296 4.044 4.340 -0.000 0.000 0.211 236 Q C 2.034 178.114 176.000 0.132 0.000 0.993 236 Q CA 2.545 58.241 55.803 -0.179 0.000 0.883 236 Q CB -0.186 28.438 28.738 -0.190 0.000 0.916 236 Q HN 0.602 nan 8.270 nan 0.000 0.418 237 W N 1.318 122.626 121.300 0.014 0.000 2.378 237 W HA -0.019 4.641 4.660 -0.000 0.000 0.313 237 W C -1.357 175.115 176.519 -0.078 0.000 1.197 237 W CA 0.712 58.052 57.345 -0.009 0.000 1.304 237 W CB -1.282 28.174 29.460 -0.007 0.000 1.148 237 W HN 0.065 nan 8.180 nan 0.000 0.494 238 P HA 0.041 nan 4.420 nan 0.000 0.225 238 P C 0.102 177.439 177.300 0.062 0.000 1.768 238 P CA 1.006 64.230 63.100 0.207 0.000 0.943 238 P CB -0.100 31.713 31.700 0.187 0.000 1.936 239 K N 0.514 120.913 120.400 -0.001 0.000 2.726 239 K HA 0.081 4.401 4.320 -0.000 0.000 0.189 239 K C -0.531 176.036 176.600 -0.055 0.000 1.691 239 K CA 0.383 56.663 56.287 -0.012 0.000 1.250 239 K CB 0.748 33.255 32.500 0.011 0.000 1.705 239 K HN 0.166 nan 8.250 nan 0.000 0.606 240 E N 1.885 122.014 120.200 -0.118 0.000 2.294 240 E HA 0.245 4.595 4.350 -0.000 0.000 0.272 240 E C -1.184 175.160 176.600 -0.427 0.000 0.896 240 E CA -0.741 55.549 56.400 -0.183 0.000 0.802 240 E CB 1.334 30.984 29.700 -0.084 0.000 1.267 240 E HN 0.057 nan 8.360 nan 0.000 0.406 241 Q N 3.790 123.294 119.800 -0.493 0.000 2.571 241 Q HA 0.174 4.514 4.340 -0.000 0.000 0.222 241 Q C -2.053 173.354 176.000 -0.989 0.000 1.167 241 Q CA -1.851 53.462 55.803 -0.818 0.000 0.966 241 Q CB 0.935 29.380 28.738 -0.489 0.000 1.274 241 Q HN 0.436 nan 8.270 nan 0.000 0.552 242 P HA -0.246 nan 4.420 nan 0.000 0.224 242 P C -0.250 176.297 177.300 -1.256 0.000 1.130 242 P CA 1.657 63.787 63.100 -1.616 0.000 0.976 242 P CB 0.094 30.244 31.700 -2.585 0.000 0.781 243 F N -0.969 118.487 119.950 -0.823 0.000 2.300 243 F HA 0.492 5.019 4.527 0.000 0.000 0.364 243 F C 1.054 176.684 175.800 -0.284 0.000 1.090 243 F CA -0.381 57.378 58.000 -0.401 0.000 1.200 243 F CB 0.261 39.127 39.000 -0.224 0.000 1.493 243 F HN -0.010 nan 8.300 nan 0.000 0.518 244 G N 2.513 111.245 108.800 -0.114 0.000 3.188 244 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.683 244 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.683 244 G C -0.222 174.614 174.900 -0.107 0.000 1.164 244 G CA -0.629 44.425 45.100 -0.078 0.000 1.059 244 G HN 0.790 nan 8.290 nan 0.000 0.570 245 E N 1.797 121.936 120.200 -0.102 0.000 2.384 245 E HA 0.488 4.838 4.350 -0.000 0.000 0.266 245 E C 1.360 177.946 176.600 -0.024 0.000 1.012 245 E CA -0.043 56.306 56.400 -0.085 0.000 0.901 245 E CB 1.075 30.732 29.700 -0.072 0.000 0.967 245 E HN 2.206 nan 8.360 nan 0.000 0.435 246 G N 2.110 110.914 108.800 0.008 0.000 2.284 246 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 246 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 246 G C 0.154 175.103 174.900 0.081 0.000 1.009 246 G CA -0.118 45.006 45.100 0.040 0.000 0.625 246 G HN 0.545 nan 8.290 nan 0.000 0.501 247 V N 3.510 123.487 119.914 0.105 0.000 2.488 247 V HA 0.452 4.572 4.120 -0.000 0.000 0.277 247 V C -1.248 175.029 176.094 0.304 0.000 1.046 247 V CA -0.992 61.414 62.300 0.177 0.000 0.986 247 V CB 1.080 33.018 31.823 0.192 0.000 0.989 247 V HN 0.221 nan 8.190 nan 0.000 0.475 248 P HA 0.178 nan 4.420 nan 0.000 0.274 248 P C -0.553 176.846 177.300 0.164 0.000 1.237 248 P CA -0.650 62.558 63.100 0.180 0.000 0.793 248 P CB 0.459 32.203 31.700 0.073 0.000 0.977 249 L N 2.011 123.087 121.223 -0.245 0.000 2.433 249 L HA 0.182 4.522 4.340 -0.000 0.000 0.284 249 L C -0.305 176.493 176.870 -0.121 0.000 1.120 249 L CA -0.045 54.424 54.840 -0.617 0.000 0.879 249 L CB -1.358 39.959 42.059 -1.237 0.000 1.232 249 L HN 0.209 nan 8.230 nan 0.000 0.454 250 D N 3.202 123.697 120.400 0.160 0.000 2.338 250 D HA 0.265 4.905 4.640 -0.000 0.000 0.255 250 D C 1.392 177.640 176.300 -0.088 0.000 1.237 250 D CA 0.687 54.642 54.000 -0.076 0.000 0.883 250 D CB 1.268 41.901 40.800 -0.278 0.000 1.087 250 D HN 0.727 nan 8.370 nan 0.000 0.485 251 G N 3.089 111.845 108.800 -0.073 0.000 2.509 251 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 251 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 251 G C 0.889 175.762 174.900 -0.046 0.000 1.124 251 G CA 0.249 45.318 45.100 -0.053 0.000 0.776 251 G HN 0.484 nan 8.290 nan 0.000 0.547 252 D N -0.159 120.201 120.400 -0.068 0.000 2.369 252 D HA 0.073 4.713 4.640 -0.000 0.000 0.211 252 D C 0.043 176.305 176.300 -0.064 0.000 1.077 252 D CA -0.159 53.809 54.000 -0.054 0.000 0.842 252 D CB 0.372 41.139 40.800 -0.054 0.000 0.947 252 D HN 0.147 nan 8.370 nan 0.000 0.509 253 D N 1.079 121.407 120.400 -0.121 0.000 2.352 253 D HA 0.058 4.698 4.640 -0.000 0.000 0.245 253 D C -1.650 174.666 176.300 0.027 0.000 1.224 253 D CA -1.924 51.980 54.000 -0.161 0.000 0.879 253 D CB 1.888 42.349 40.800 -0.566 0.000 1.057 253 D HN -0.110 nan 8.370 nan 0.000 0.491 254 P HA -0.152 nan 4.420 nan 0.000 0.219 254 P C 0.629 178.082 177.300 0.254 0.000 1.144 254 P CA 1.201 64.405 63.100 0.174 0.000 0.806 254 P CB 0.408 32.176 31.700 0.114 0.000 0.771 255 E N -2.138 118.207 120.200 0.242 0.000 2.102 255 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 255 E C 1.961 178.934 176.600 0.621 0.000 0.971 255 E CA 0.455 57.088 56.400 0.387 0.000 0.821 255 E CB -0.503 29.381 29.700 0.308 0.000 0.777 255 E HN 0.503 nan 8.360 nan 0.000 0.460 256 H N 0.701 120.015 119.070 0.405 0.000 2.352 256 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 256 H C 2.260 177.884 175.328 0.494 0.000 1.097 256 H CA 1.034 57.392 56.048 0.516 0.000 1.311 256 H CB -0.013 29.927 29.762 0.296 0.000 1.377 256 H HN 0.138 nan 8.280 nan 0.000 0.504 257 I N 0.650 121.520 120.570 0.499 0.000 2.252 257 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 257 I C 2.694 179.171 176.117 0.599 0.000 1.102 257 I CA 0.981 62.535 61.300 0.424 0.000 1.385 257 I CB -0.271 37.879 38.000 0.250 0.000 1.064 257 I HN 0.173 nan 8.210 nan 0.000 0.414 258 Q N 0.793 120.974 119.800 0.634 0.000 2.096 258 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 258 Q C 1.891 178.205 176.000 0.523 0.000 0.982 258 Q CA 2.047 58.200 55.803 0.583 0.000 0.850 258 Q CB -0.512 28.463 28.738 0.395 0.000 0.901 258 Q HN 0.578 nan 8.270 nan 0.000 0.422 259 W N 0.266 121.780 121.300 0.356 0.000 2.381 259 W HA -0.104 4.556 4.660 -0.000 0.000 0.323 259 W C 1.834 178.495 176.519 0.235 0.000 1.194 259 W CA 1.983 59.476 57.345 0.246 0.000 1.296 259 W CB -0.550 29.058 29.460 0.246 0.000 1.175 259 W HN 0.163 nan 8.180 nan 0.000 0.465 260 I N 0.391 121.336 120.570 0.625 0.000 2.143 260 I HA -0.397 3.773 4.170 -0.000 0.000 0.245 260 I C 2.488 178.699 176.117 0.156 0.000 1.068 260 I CA 2.041 63.562 61.300 0.368 0.000 1.326 260 I CB -1.180 37.083 38.000 0.438 0.000 1.028 260 I HN 0.109 nan 8.210 nan 0.000 0.412 261 F N 2.039 122.074 119.950 0.143 0.000 2.043 261 F HA -0.326 4.201 4.527 -0.000 0.000 0.297 261 F C 2.596 178.404 175.800 0.014 0.000 1.121 261 F CA 2.261 60.332 58.000 0.118 0.000 1.199 261 F CB -0.927 38.232 39.000 0.264 0.000 0.968 261 F HN -0.003 nan 8.300 nan 0.000 0.478 262 Q N 0.832 120.338 119.800 -0.490 0.000 2.045 262 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 262 Q C 2.183 177.883 176.000 -0.501 0.000 0.991 262 Q CA 2.202 57.625 55.803 -0.632 0.000 0.851 262 Q CB -0.326 28.164 28.738 -0.412 0.000 0.911 262 Q HN 0.220 nan 8.270 nan 0.000 0.418 263 K N -0.347 119.721 120.400 -0.554 0.000 2.211 263 K HA -0.034 4.286 4.320 -0.000 0.000 0.204 263 K C 2.183 178.647 176.600 -0.227 0.000 1.047 263 K CA 1.181 57.166 56.287 -0.503 0.000 0.935 263 K CB -0.319 31.668 32.500 -0.856 0.000 0.728 263 K HN 0.129 nan 8.250 nan 0.000 0.452 264 S N 1.265 116.874 115.700 -0.152 0.000 2.377 264 S HA 0.031 4.501 4.470 -0.000 0.000 0.223 264 S C 2.037 176.603 174.600 -0.056 0.000 1.030 264 S CA 0.428 58.614 58.200 -0.023 0.000 0.970 264 S CB -0.098 63.148 63.200 0.077 0.000 0.830 264 S HN 0.167 nan 8.310 nan 0.000 0.473 265 L N 1.454 122.576 121.223 -0.168 0.000 2.013 265 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 265 L C 2.514 179.323 176.870 -0.101 0.000 1.073 265 L CA 1.575 56.319 54.840 -0.160 0.000 0.753 265 L CB -0.552 41.305 42.059 -0.337 0.000 0.890 265 L HN 0.388 nan 8.230 nan 0.000 0.432 266 E N -0.685 119.436 120.200 -0.131 0.000 2.006 266 E HA -0.269 4.081 4.350 -0.000 0.000 0.192 266 E C 2.186 178.774 176.600 -0.021 0.000 0.993 266 E CA 1.098 57.448 56.400 -0.084 0.000 0.808 266 E CB -0.206 29.425 29.700 -0.115 0.000 0.764 266 E HN 0.189 nan 8.360 nan 0.000 0.449 267 R N 1.134 121.634 120.500 0.001 0.000 2.133 267 R HA -0.179 4.161 4.340 -0.000 0.000 0.247 267 R C 1.958 178.313 176.300 0.092 0.000 1.151 267 R CA 1.710 57.845 56.100 0.058 0.000 0.971 267 R CB -0.558 29.796 30.300 0.088 0.000 0.866 267 R HN 0.222 nan 8.270 nan 0.000 0.447 268 A N -1.209 121.640 122.820 0.048 0.000 1.929 268 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 268 A C 2.225 179.859 177.584 0.083 0.000 1.176 268 A CA 1.517 53.587 52.037 0.055 0.000 0.628 268 A CB -0.787 18.230 19.000 0.029 0.000 0.816 268 A HN 0.431 nan 8.150 nan 0.000 0.444 269 S N -0.375 115.351 115.700 0.043 0.000 2.399 269 S HA -0.205 4.265 4.470 -0.000 0.000 0.231 269 S C 2.015 176.629 174.600 0.024 0.000 1.022 269 S CA 1.573 59.788 58.200 0.024 0.000 0.983 269 S CB -0.393 62.800 63.200 -0.011 0.000 0.803 269 S HN 0.684 nan 8.310 nan 0.000 0.480 270 Q N -1.200 118.617 119.800 0.029 0.000 2.364 270 Q HA -0.068 4.272 4.340 -0.000 0.000 0.207 270 Q C 0.548 176.443 176.000 -0.175 0.000 0.970 270 Q CA 1.156 56.910 55.803 -0.081 0.000 0.888 270 Q CB -0.098 28.563 28.738 -0.128 0.000 0.951 270 Q HN 0.721 nan 8.270 nan 0.000 0.469 271 Y N 0.605 120.878 120.300 -0.047 0.000 2.557 271 Y HA 0.106 4.656 4.550 -0.000 0.000 0.247 271 Y C 0.057 175.942 175.900 -0.025 0.000 1.164 271 Y CA -0.522 57.555 58.100 -0.039 0.000 1.218 271 Y CB 0.230 38.663 38.460 -0.045 0.000 1.210 271 Y HN 0.209 nan 8.280 nan 0.000 0.529 272 N N 0.557 119.318 118.700 0.102 0.000 2.705 272 N HA -0.264 4.476 4.740 -0.000 0.000 0.255 272 N C -0.830 174.716 175.510 0.060 0.000 1.008 272 N CA 0.656 53.741 53.050 0.058 0.000 0.742 272 N CB -1.797 36.708 38.487 0.031 0.000 0.906 272 N HN 0.444 nan 8.380 nan 0.000 0.541 273 I N 0.636 121.244 120.570 0.063 0.000 2.321 273 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 273 I C 1.070 177.204 176.117 0.029 0.000 0.998 273 I CA -0.673 60.650 61.300 0.037 0.000 1.227 273 I CB 1.165 39.176 38.000 0.018 0.000 1.368 273 I HN 0.012 nan 8.210 nan 0.000 0.466 274 R N 3.932 124.446 120.500 0.024 0.000 2.500 274 R HA 0.582 4.922 4.340 -0.000 0.000 0.277 274 R C 0.569 176.885 176.300 0.026 0.000 1.026 274 R CA -0.261 55.856 56.100 0.028 0.000 1.058 274 R CB 1.168 31.484 30.300 0.026 0.000 1.078 274 R HN 0.961 nan 8.270 nan 0.000 0.509 275 G N 0.530 109.354 108.800 0.041 0.000 2.186 275 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.130 275 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.130 275 G C -0.554 174.383 174.900 0.062 0.000 1.031 275 G CA -0.663 44.462 45.100 0.042 0.000 0.697 275 G HN 0.374 nan 8.290 nan 0.000 0.494 276 V N 1.546 121.521 119.914 0.101 0.000 2.318 276 V HA 0.730 4.850 4.120 -0.000 0.000 0.271 276 V C 0.683 176.931 176.094 0.256 0.000 1.030 276 V CA 0.450 62.848 62.300 0.163 0.000 0.844 276 V CB 1.114 33.038 31.823 0.170 0.000 1.015 276 V HN 0.515 nan 8.190 nan 0.000 0.460 277 T N 2.757 117.404 114.554 0.155 0.000 2.940 277 T HA 0.382 4.732 4.350 -0.000 0.000 0.288 277 T C 0.573 175.157 174.700 -0.193 0.000 1.045 277 T CA -0.293 61.828 62.100 0.035 0.000 1.018 277 T CB 1.379 70.248 68.868 0.001 0.000 1.151 277 T HN 0.493 nan 8.240 nan 0.000 0.529 278 Y N 1.783 121.681 120.300 -0.669 0.000 2.200 278 Y HA 0.072 4.622 4.550 -0.000 0.000 0.290 278 Y C 2.694 178.430 175.900 -0.273 0.000 1.137 278 Y CA 1.971 59.627 58.100 -0.740 0.000 1.163 278 Y CB -0.100 37.942 38.460 -0.697 0.000 0.988 278 Y HN 0.644 nan 8.280 nan 0.000 0.518 279 R N -0.335 120.039 120.500 -0.210 0.000 2.075 279 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 279 R C 2.119 178.330 176.300 -0.149 0.000 1.126 279 R CA 1.570 57.559 56.100 -0.184 0.000 0.963 279 R CB -0.571 29.688 30.300 -0.068 0.000 0.858 279 R HN 0.434 nan 8.270 nan 0.000 0.435 280 L N 0.677 121.847 121.223 -0.088 0.000 2.275 280 L HA -0.041 4.299 4.340 -0.000 0.000 0.215 280 L C 1.678 178.527 176.870 -0.034 0.000 1.119 280 L CA 1.846 56.663 54.840 -0.037 0.000 0.790 280 L CB -0.438 41.624 42.059 0.005 0.000 0.919 280 L HN 0.105 nan 8.230 nan 0.000 0.443 281 T N -0.877 113.636 114.554 -0.069 0.000 2.812 281 T HA -0.136 4.214 4.350 -0.000 0.000 0.264 281 T C 1.776 176.423 174.700 -0.089 0.000 1.042 281 T CA 1.399 63.485 62.100 -0.025 0.000 1.140 281 T CB -0.036 68.867 68.868 0.058 0.000 0.870 281 T HN 0.454 nan 8.240 nan 0.000 0.445 282 Q N 0.319 119.980 119.800 -0.231 0.000 2.135 282 Q HA -0.065 4.275 4.340 -0.000 0.000 0.204 282 Q C 2.655 178.594 176.000 -0.102 0.000 0.981 282 Q CA 1.382 57.062 55.803 -0.206 0.000 0.856 282 Q CB -0.475 28.082 28.738 -0.301 0.000 0.902 282 Q HN 0.583 nan 8.270 nan 0.000 0.425 283 G N 0.478 109.228 108.800 -0.084 0.000 2.459 283 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 283 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 283 G C 1.511 176.411 174.900 0.001 0.000 1.183 283 G CA 1.224 46.302 45.100 -0.036 0.000 0.776 283 G HN 0.236 nan 8.290 nan 0.000 0.552 284 V N 0.373 120.305 119.914 0.031 0.000 2.323 284 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 284 V C 3.012 179.140 176.094 0.058 0.000 1.041 284 V CA 1.298 63.648 62.300 0.082 0.000 1.025 284 V CB -0.590 31.309 31.823 0.126 0.000 0.656 284 V HN 0.221 nan 8.190 nan 0.000 0.451 285 V N 0.632 120.564 119.914 0.031 0.000 2.317 285 V HA -0.221 3.899 4.120 -0.000 0.000 0.251 285 V C 1.016 177.103 176.094 -0.012 0.000 1.065 285 V CA 1.975 64.281 62.300 0.010 0.000 1.049 285 V CB -0.805 31.020 31.823 0.003 0.000 0.651 285 V HN 0.723 nan 8.190 nan 0.000 0.450 286 K N 0.278 120.667 120.400 -0.019 0.000 2.621 286 K HA 0.414 4.734 4.320 -0.000 0.000 0.233 286 K C -0.761 175.827 176.600 -0.020 0.000 0.972 286 K CA -0.807 55.465 56.287 -0.025 0.000 0.988 286 K CB 1.084 33.562 32.500 -0.036 0.000 1.187 286 K HN -0.069 nan 8.250 nan 0.000 0.471 287 R N 2.859 123.352 120.500 -0.012 0.000 3.908 287 R HA -0.049 4.291 4.340 -0.000 0.000 0.299 287 R C -0.059 176.229 176.300 -0.020 0.000 0.624 287 R CA 0.612 56.704 56.100 -0.013 0.000 0.997 287 R CB -0.943 29.346 30.300 -0.019 0.000 0.917 287 R HN 0.648 nan 8.270 nan 0.000 0.339 288 I N 4.668 125.226 120.570 -0.021 0.000 2.342 288 I HA 0.232 4.402 4.170 -0.000 0.000 0.291 288 I C 0.788 176.890 176.117 -0.026 0.000 1.010 288 I CA -0.528 60.757 61.300 -0.026 0.000 1.308 288 I CB 1.004 38.984 38.000 -0.033 0.000 1.400 288 I HN 0.266 nan 8.210 nan 0.000 0.488 289 I N 8.064 128.618 120.570 -0.027 0.000 2.321 289 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 289 I C -2.043 174.048 176.117 -0.044 0.000 0.998 289 I CA -1.872 59.410 61.300 -0.030 0.000 1.227 289 I CB 0.771 38.757 38.000 -0.024 0.000 1.368 289 I HN 0.296 nan 8.210 nan 0.000 0.466 290 P HA 0.222 nan 4.420 nan 0.000 0.265 290 P C -0.869 176.360 177.300 -0.118 0.000 1.193 290 P CA -0.055 62.993 63.100 -0.086 0.000 0.765 290 P CB 0.694 32.333 31.700 -0.101 0.000 0.823 291 A N 2.294 125.047 122.820 -0.112 0.000 2.449 291 A HA 0.720 5.040 4.320 -0.000 0.000 0.302 291 A C -0.740 176.776 177.584 -0.113 0.000 1.048 291 A CA -0.558 51.412 52.037 -0.112 0.000 0.708 291 A CB 1.508 20.476 19.000 -0.054 0.000 1.274 291 A HN 0.374 nan 8.150 nan 0.000 0.410 292 V N -1.222 118.620 119.914 -0.121 0.000 3.040 292 V HA 0.837 4.957 4.120 -0.000 0.000 0.312 292 V C 0.973 177.052 176.094 -0.025 0.000 1.115 292 V CA -0.128 62.131 62.300 -0.069 0.000 0.998 292 V CB 1.018 32.790 31.823 -0.085 0.000 1.042 292 V HN 1.627 nan 8.190 nan 0.000 0.433 293 A N 1.557 124.374 122.820 -0.005 0.000 1.898 293 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 293 A C 2.337 179.906 177.584 -0.025 0.000 1.181 293 A CA 2.377 54.402 52.037 -0.020 0.000 0.620 293 A CB -1.036 17.940 19.000 -0.040 0.000 0.819 293 A HN 1.637 nan 8.150 nan 0.000 0.442 294 S N -0.443 115.266 115.700 0.015 0.000 2.372 294 S HA -0.229 4.241 4.470 -0.000 0.000 0.227 294 S C 1.845 176.462 174.600 0.028 0.000 1.044 294 S CA 2.262 60.483 58.200 0.034 0.000 1.050 294 S CB -1.429 61.846 63.200 0.124 0.000 0.901 294 S HN 0.497 nan 8.310 nan 0.000 0.447 295 T N 2.587 117.187 114.554 0.076 0.000 2.821 295 T HA 0.009 4.359 4.350 -0.000 0.000 0.267 295 T C 1.825 176.511 174.700 -0.025 0.000 1.046 295 T CA 1.282 63.427 62.100 0.074 0.000 1.139 295 T CB -0.495 68.454 68.868 0.136 0.000 0.871 295 T HN 0.449 nan 8.240 nan 0.000 0.454 296 N N 1.361 120.047 118.700 -0.024 0.000 2.188 296 N HA 0.016 4.756 4.740 -0.000 0.000 0.184 296 N C 2.184 177.654 175.510 -0.068 0.000 1.018 296 N CA 1.196 54.225 53.050 -0.035 0.000 0.858 296 N CB -0.413 38.066 38.487 -0.013 0.000 0.989 296 N HN 0.398 nan 8.380 nan 0.000 0.426 297 A N 0.993 123.760 122.820 -0.089 0.000 1.902 297 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 297 A C 2.557 180.053 177.584 -0.145 0.000 1.181 297 A CA 1.294 53.257 52.037 -0.124 0.000 0.623 297 A CB -0.788 18.126 19.000 -0.144 0.000 0.818 297 A HN 0.087 nan 8.150 nan 0.000 0.443 298 V N 0.592 120.392 119.914 -0.190 0.000 2.216 298 V HA -0.245 3.875 4.120 -0.000 0.000 0.243 298 V C 2.447 178.386 176.094 -0.258 0.000 1.044 298 V CA 1.878 64.000 62.300 -0.296 0.000 0.995 298 V CB -0.661 30.816 31.823 -0.577 0.000 0.633 298 V HN 0.519 nan 8.190 nan 0.000 0.446 299 I N 0.654 121.089 120.570 -0.226 0.000 2.248 299 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 299 I C 2.647 178.691 176.117 -0.121 0.000 1.107 299 I CA 2.168 63.374 61.300 -0.156 0.000 1.373 299 I CB -1.677 36.268 38.000 -0.093 0.000 1.055 299 I HN 0.357 nan 8.210 nan 0.000 0.418 300 A N 0.672 123.431 122.820 -0.102 0.000 1.930 300 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 300 A C 2.604 180.137 177.584 -0.085 0.000 1.175 300 A CA 1.747 53.737 52.037 -0.078 0.000 0.627 300 A CB -0.690 18.279 19.000 -0.052 0.000 0.815 300 A HN 0.414 nan 8.150 nan 0.000 0.443 301 A N -0.299 122.458 122.820 -0.105 0.000 1.883 301 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 301 A C 2.245 179.767 177.584 -0.104 0.000 1.186 301 A CA 2.003 53.979 52.037 -0.102 0.000 0.624 301 A CB -1.067 17.859 19.000 -0.123 0.000 0.822 301 A HN 0.414 nan 8.150 nan 0.000 0.444 302 V N -0.659 119.181 119.914 -0.123 0.000 2.233 302 V HA -0.353 3.767 4.120 -0.000 0.000 0.247 302 V C 2.698 178.735 176.094 -0.096 0.000 1.050 302 V CA 2.136 64.366 62.300 -0.117 0.000 1.010 302 V CB -1.378 30.366 31.823 -0.132 0.000 0.637 302 V HN 0.713 nan 8.190 nan 0.000 0.444 303 C N 0.362 119.605 119.300 -0.095 0.000 2.413 303 C HA -0.144 4.316 4.460 -0.000 0.000 0.276 303 C C 3.144 178.093 174.990 -0.067 0.000 1.236 303 C CA 0.847 59.814 59.018 -0.085 0.000 1.735 303 C CB -1.489 26.199 27.740 -0.087 0.000 2.031 303 C HN 0.656 nan 8.230 nan 0.000 0.474 304 A N 0.064 122.848 122.820 -0.060 0.000 1.883 304 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 304 A C 2.193 179.790 177.584 0.022 0.000 1.186 304 A CA 2.672 54.689 52.037 -0.033 0.000 0.624 304 A CB -1.288 17.698 19.000 -0.023 0.000 0.822 304 A HN 0.560 nan 8.150 nan 0.000 0.444 305 T N -0.122 114.427 114.554 -0.010 0.000 2.759 305 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 305 T C 1.812 176.550 174.700 0.064 0.000 1.042 305 T CA 1.597 63.699 62.100 0.003 0.000 1.140 305 T CB -0.242 68.573 68.868 -0.088 0.000 0.864 305 T HN 0.468 nan 8.240 nan 0.000 0.455 306 E N 0.620 120.826 120.200 0.010 0.000 2.106 306 E HA -0.030 4.320 4.350 -0.000 0.000 0.192 306 E C 2.464 179.082 176.600 0.031 0.000 0.984 306 E CA 0.504 56.908 56.400 0.008 0.000 0.806 306 E CB -0.575 29.102 29.700 -0.038 0.000 0.750 306 E HN 0.332 nan 8.360 nan 0.000 0.458 307 V N 1.141 121.068 119.914 0.021 0.000 2.295 307 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 307 V C 2.160 178.339 176.094 0.143 0.000 1.049 307 V CA 1.711 64.009 62.300 -0.004 0.000 1.024 307 V CB -0.627 31.099 31.823 -0.162 0.000 0.648 307 V HN 0.143 nan 8.190 nan 0.000 0.447 308 F N 1.004 121.033 119.950 0.131 0.000 2.120 308 F HA -0.225 4.302 4.527 -0.000 0.000 0.300 308 F C 2.357 178.237 175.800 0.133 0.000 1.095 308 F CA 1.951 60.087 58.000 0.227 0.000 1.249 308 F CB -0.198 38.887 39.000 0.143 0.000 0.995 308 F HN 0.036 nan 8.300 nan 0.000 0.480 309 K N 0.255 120.749 120.400 0.156 0.000 2.001 309 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 309 K C 2.083 178.658 176.600 -0.042 0.000 1.048 309 K CA 1.999 58.327 56.287 0.067 0.000 0.932 309 K CB -0.415 32.149 32.500 0.106 0.000 0.715 309 K HN 0.299 nan 8.250 nan 0.000 0.437 310 I N 1.074 121.628 120.570 -0.025 0.000 2.335 310 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 310 I C 2.373 178.464 176.117 -0.045 0.000 1.129 310 I CA 1.175 62.444 61.300 -0.051 0.000 1.402 310 I CB -0.352 37.632 38.000 -0.027 0.000 1.069 310 I HN 0.180 nan 8.210 nan 0.000 0.424 311 A N 0.230 123.038 122.820 -0.020 0.000 2.021 311 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 311 A C 2.241 179.760 177.584 -0.109 0.000 1.163 311 A CA 1.768 53.806 52.037 0.001 0.000 0.676 311 A CB -0.555 18.541 19.000 0.160 0.000 0.818 311 A HN 0.503 nan 8.150 nan 0.000 0.453 312 T N -5.962 108.457 114.554 -0.225 0.000 2.975 312 T HA 0.223 4.573 4.350 -0.000 0.000 0.257 312 T C 0.718 175.429 174.700 0.018 0.000 1.003 312 T CA 1.013 62.998 62.100 -0.192 0.000 0.932 312 T CB -0.059 68.512 68.868 -0.496 0.000 1.087 312 T HN 0.698 nan 8.240 nan 0.000 0.512 313 S N 0.570 116.252 115.700 -0.031 0.000 3.382 313 S HA -0.243 4.227 4.470 -0.000 0.000 0.293 313 S C 1.572 176.230 174.600 0.096 0.000 1.262 313 S CA 0.609 58.825 58.200 0.026 0.000 0.969 313 S CB -2.111 61.187 63.200 0.163 0.000 1.136 313 S HN 1.111 nan 8.310 nan 0.000 0.635 314 A N -0.705 122.114 122.820 -0.001 0.000 1.908 314 A HA 0.245 4.565 4.320 -0.000 0.000 0.218 314 A C 0.661 177.936 177.584 -0.514 0.000 1.181 314 A CA 1.586 53.453 52.037 -0.282 0.000 0.627 314 A CB -0.159 18.931 19.000 0.151 0.000 0.818 314 A HN 0.693 nan 8.150 nan 0.000 0.445 315 Y N -2.819 117.470 120.300 -0.019 0.000 2.715 315 Y HA 0.553 5.103 4.550 -0.000 0.000 0.331 315 Y C -0.456 175.495 175.900 0.085 0.000 1.197 315 Y CA -1.631 56.490 58.100 0.036 0.000 1.079 315 Y CB 0.755 39.223 38.460 0.014 0.000 1.298 315 Y HN 0.015 nan 8.280 nan 0.000 0.477 316 I N 2.498 123.252 120.570 0.307 0.000 2.529 316 I HA 0.303 4.473 4.170 -0.000 0.000 0.284 316 I C -2.454 173.752 176.117 0.148 0.000 1.082 316 I CA -2.085 59.362 61.300 0.245 0.000 1.406 316 I CB -0.268 37.857 38.000 0.208 0.000 1.405 316 I HN 0.221 nan 8.210 nan 0.000 0.548 317 P HA 0.107 nan 4.420 nan 0.000 0.271 317 P C -0.592 176.718 177.300 0.017 0.000 1.218 317 P CA -0.577 62.542 63.100 0.032 0.000 0.780 317 P CB 0.494 32.193 31.700 -0.002 0.000 0.901 318 L N 2.890 124.105 121.223 -0.014 0.000 2.562 318 L HA 0.084 4.424 4.340 -0.000 0.000 0.271 318 L C 0.027 176.869 176.870 -0.045 0.000 1.167 318 L CA 0.302 55.120 54.840 -0.037 0.000 0.917 318 L CB -1.244 40.774 42.059 -0.068 0.000 1.187 318 L HN 0.293 nan 8.230 nan 0.000 0.482 319 N N 4.857 123.533 118.700 -0.040 0.000 2.402 319 N HA 0.210 4.950 4.740 -0.000 0.000 0.252 319 N C 0.219 175.674 175.510 -0.092 0.000 1.118 319 N CA 0.320 53.342 53.050 -0.047 0.000 0.945 319 N CB 0.063 38.535 38.487 -0.025 0.000 1.147 319 N HN 0.959 nan 8.380 nan 0.000 0.495 320 N N 0.555 119.196 118.700 -0.098 0.000 1.339 320 N HA -0.326 4.414 4.740 -0.000 0.000 0.161 320 N C -0.906 174.501 175.510 -0.170 0.000 0.847 320 N CA 0.792 53.765 53.050 -0.130 0.000 1.038 320 N CB -0.657 37.715 38.487 -0.191 0.000 1.322 320 N HN 0.345 nan 8.380 nan 0.000 0.494 321 Y N 1.006 121.004 120.300 -0.503 0.000 2.296 321 Y HA 0.619 5.169 4.550 -0.000 0.000 0.343 321 Y C 0.321 176.018 175.900 -0.338 0.000 1.292 321 Y CA 0.555 58.337 58.100 -0.529 0.000 1.490 321 Y CB 0.518 38.315 38.460 -1.106 0.000 1.359 321 Y HN 0.415 nan 8.280 nan 0.000 0.599 322 L N 2.219 123.390 121.223 -0.087 0.000 2.982 322 L HA 0.423 4.763 4.340 -0.000 0.000 0.262 322 L C -2.214 174.705 176.870 0.081 0.000 0.932 322 L CA -0.434 54.404 54.840 -0.003 0.000 1.058 322 L CB 0.991 43.003 42.059 -0.078 0.000 1.665 322 L HN 0.454 nan 8.230 nan 0.000 0.499 323 V N 5.011 125.075 119.914 0.250 0.000 2.715 323 V HA 0.718 4.838 4.120 -0.000 0.000 0.310 323 V C -1.413 174.848 176.094 0.279 0.000 1.054 323 V CA -0.336 62.145 62.300 0.302 0.000 0.928 323 V CB 2.041 34.130 31.823 0.442 0.000 1.007 323 V HN 0.631 nan 8.190 nan 0.000 0.437 324 F N 5.509 125.530 119.950 0.118 0.000 2.563 324 F HA 0.637 5.164 4.527 0.000 0.000 0.316 324 F C -0.514 175.384 175.800 0.164 0.000 1.076 324 F CA -0.586 57.474 58.000 0.100 0.000 0.921 324 F CB 1.905 40.938 39.000 0.055 0.000 1.209 324 F HN 0.609 nan 8.300 nan 0.000 0.462 325 N N 3.892 122.061 118.700 -0.885 0.000 2.519 325 N HA 0.154 4.894 4.740 -0.000 0.000 0.291 325 N C -1.073 173.990 175.510 -0.746 0.000 1.107 325 N CA -0.383 52.338 53.050 -0.548 0.000 0.904 325 N CB 1.207 39.645 38.487 -0.082 0.000 1.500 325 N HN 0.679 nan 8.380 nan 0.000 0.510 326 D N 2.544 122.645 120.400 -0.498 0.000 2.369 326 D HA 0.075 4.715 4.640 -0.000 0.000 0.211 326 D C 1.720 177.866 176.300 -0.257 0.000 1.077 326 D CA 0.407 54.247 54.000 -0.265 0.000 0.842 326 D CB 0.762 41.600 40.800 0.064 0.000 0.947 326 D HN 0.322 nan 8.370 nan 0.000 0.509 327 V N 0.229 120.028 119.914 -0.192 0.000 2.237 327 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 327 V C 1.136 177.131 176.094 -0.165 0.000 1.046 327 V CA 1.260 63.444 62.300 -0.194 0.000 1.007 327 V CB -0.151 31.637 31.823 -0.058 0.000 0.638 327 V HN 0.110 nan 8.190 nan 0.000 0.445 328 D N -0.117 120.212 120.400 -0.119 0.000 2.477 328 D HA 0.454 5.094 4.640 -0.000 0.000 0.239 328 D C 0.493 176.745 176.300 -0.079 0.000 1.102 328 D CA 1.017 54.961 54.000 -0.095 0.000 0.901 328 D CB 0.480 41.230 40.800 -0.084 0.000 1.026 328 D HN 0.462 nan 8.370 nan 0.000 0.515 329 G N 2.188 110.944 108.800 -0.073 0.000 2.645 329 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.246 329 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.246 329 G C -0.818 174.058 174.900 -0.040 0.000 1.322 329 G CA -0.207 44.869 45.100 -0.039 0.000 0.898 329 G HN 0.501 nan 8.290 nan 0.000 0.573 330 L N -0.531 120.697 121.223 0.009 0.000 2.346 330 L HA 0.772 5.112 4.340 -0.000 0.000 0.276 330 L C -0.293 176.627 176.870 0.082 0.000 1.006 330 L CA -0.734 54.111 54.840 0.008 0.000 0.817 330 L CB 1.894 44.021 42.059 0.114 0.000 1.272 330 L HN 0.792 nan 8.230 nan 0.000 0.421 331 Y N 1.584 121.796 120.300 -0.147 0.000 2.457 331 Y HA 0.736 5.286 4.550 0.000 0.000 0.343 331 Y C -0.679 175.222 175.900 0.001 0.000 0.994 331 Y CA -0.627 57.442 58.100 -0.052 0.000 1.031 331 Y CB 2.208 40.628 38.460 -0.066 0.000 1.246 331 Y HN 0.707 nan 8.280 nan 0.000 0.449 332 T N 3.160 117.296 114.554 -0.695 0.000 2.933 332 T HA 0.493 4.843 4.350 -0.000 0.000 0.305 332 T C -2.204 172.145 174.700 -0.584 0.000 1.092 332 T CA -0.624 61.222 62.100 -0.423 0.000 1.008 332 T CB 1.562 70.417 68.868 -0.022 0.000 1.102 332 T HN 0.645 nan 8.240 nan 0.000 0.469 333 Y N 1.690 121.763 120.300 -0.378 0.000 2.391 333 Y HA 0.657 5.207 4.550 -0.000 0.000 0.341 333 Y C -0.923 175.055 175.900 0.130 0.000 0.965 333 Y CA -0.756 57.270 58.100 -0.122 0.000 1.067 333 Y CB 2.198 40.684 38.460 0.045 0.000 1.199 333 Y HN 0.945 nan 8.280 nan 0.000 0.450 334 T N 8.053 122.339 114.554 -0.446 0.000 2.824 334 T HA 0.674 5.024 4.350 -0.000 0.000 0.282 334 T C -1.119 173.346 174.700 -0.391 0.000 0.993 334 T CA -0.414 61.504 62.100 -0.303 0.000 0.967 334 T CB 0.676 69.455 68.868 -0.148 0.000 0.960 334 T HN 0.546 nan 8.240 nan 0.000 0.441 335 F N -0.382 119.315 119.950 -0.422 0.000 2.869 335 F HA 0.715 5.242 4.527 0.000 0.000 0.325 335 F C -0.557 175.180 175.800 -0.105 0.000 1.184 335 F CA -1.330 56.489 58.000 -0.301 0.000 0.951 335 F CB 1.595 40.377 39.000 -0.363 0.000 1.421 335 F HN 0.437 nan 8.300 nan 0.000 0.501 336 E N 1.617 121.821 120.200 0.007 0.000 2.561 336 E HA 0.526 4.876 4.350 -0.000 0.000 0.225 336 E C -0.462 176.139 176.600 0.003 0.000 1.035 336 E CA -0.797 55.558 56.400 -0.075 0.000 0.904 336 E CB 0.816 30.519 29.700 0.005 0.000 1.291 336 E HN 0.952 nan 8.360 nan 0.000 0.444 337 A N 3.834 126.547 122.820 -0.178 0.000 2.608 337 A HA -0.106 4.214 4.320 -0.000 0.000 0.239 337 A C 0.449 178.056 177.584 0.038 0.000 1.018 337 A CA 0.517 52.571 52.037 0.029 0.000 0.766 337 A CB 0.192 19.142 19.000 -0.083 0.000 0.928 337 A HN 0.601 nan 8.150 nan 0.000 0.512 338 E N 1.001 121.240 120.200 0.066 0.000 2.390 338 E HA 0.124 4.474 4.350 -0.000 0.000 0.261 338 E C 0.288 176.898 176.600 0.017 0.000 1.076 338 E CA -0.267 56.155 56.400 0.036 0.000 0.905 338 E CB 0.814 30.535 29.700 0.035 0.000 0.984 338 E HN 0.613 nan 8.360 nan 0.000 0.427 339 R N 2.587 123.092 120.500 0.009 0.000 2.215 339 R HA 0.113 4.453 4.340 -0.000 0.000 0.336 339 R C -0.367 175.931 176.300 -0.003 0.000 0.996 339 R CA -0.459 55.642 56.100 0.002 0.000 0.847 339 R CB 0.413 30.714 30.300 0.001 0.000 1.127 339 R HN 0.283 nan 8.270 nan 0.000 0.465 340 K N 3.500 123.896 120.400 -0.007 0.000 2.430 340 K HA -0.062 4.258 4.320 -0.000 0.000 0.280 340 K C 0.150 176.737 176.600 -0.022 0.000 1.063 340 K CA 0.371 56.649 56.287 -0.014 0.000 1.071 340 K CB 0.696 33.185 32.500 -0.017 0.000 0.899 340 K HN 0.583 nan 8.250 nan 0.000 0.473 341 E N 1.323 121.508 120.200 -0.024 0.000 2.512 341 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 341 E C 0.424 176.996 176.600 -0.047 0.000 1.083 341 E CA 0.583 56.964 56.400 -0.032 0.000 0.873 341 E CB -0.223 29.460 29.700 -0.029 0.000 0.897 341 E HN 0.643 nan 8.360 nan 0.000 0.514 342 N N -1.285 117.386 118.700 -0.048 0.000 2.194 342 N HA 0.078 4.818 4.740 -0.000 0.000 0.231 342 N C -0.355 175.111 175.510 -0.073 0.000 1.247 342 N CA -0.511 52.501 53.050 -0.064 0.000 0.884 342 N CB 0.217 38.671 38.487 -0.055 0.000 1.146 342 N HN -0.045 nan 8.380 nan 0.000 0.516 343 C N 3.339 122.603 119.300 -0.059 0.000 2.590 343 C HA 0.132 4.591 4.460 -0.000 0.000 0.411 343 C C -0.635 174.301 174.990 -0.090 0.000 1.420 343 C CA -1.224 57.759 59.018 -0.059 0.000 1.643 343 C CB 0.330 28.047 27.740 -0.039 0.000 2.528 343 C HN 0.445 nan 8.230 nan 0.000 0.606 344 P HA 0.010 nan 4.420 nan 0.000 0.239 344 P C 0.536 177.767 177.300 -0.114 0.000 1.184 344 P CA 1.502 64.502 63.100 -0.166 0.000 0.760 344 P CB 0.135 31.737 31.700 -0.164 0.000 0.884 345 A N -1.426 121.349 122.820 -0.075 0.000 1.995 345 A HA 0.109 4.429 4.320 -0.000 0.000 0.200 345 A C 2.263 179.822 177.584 -0.041 0.000 1.566 345 A CA 0.368 52.371 52.037 -0.056 0.000 0.895 345 A CB -0.871 18.103 19.000 -0.043 0.000 1.046 345 A HN 0.160 nan 8.150 nan 0.000 0.523 346 C N 1.151 120.431 119.300 -0.032 0.000 2.496 346 C HA 0.053 4.513 4.460 -0.000 0.000 0.281 346 C C 1.941 176.928 174.990 -0.006 0.000 1.250 346 C CA 1.030 60.042 59.018 -0.009 0.000 1.717 346 C CB -0.984 26.751 27.740 -0.009 0.000 2.082 346 C HN 0.697 nan 8.230 nan 0.000 0.472 347 S N 1.329 117.003 115.700 -0.044 0.000 2.561 347 S HA -0.046 4.424 4.470 -0.000 0.000 0.294 347 S C 0.402 174.941 174.600 -0.101 0.000 1.294 347 S CA 0.217 58.372 58.200 -0.076 0.000 1.055 347 S CB 0.360 63.504 63.200 -0.094 0.000 0.819 347 S HN 0.673 nan 8.310 nan 0.000 0.503 348 Q N 0.846 120.543 119.800 -0.172 0.000 1.937 348 Q HA 0.092 4.432 4.340 -0.000 0.000 0.198 348 Q C -0.020 175.888 176.000 -0.153 0.000 0.977 348 Q CA 0.411 56.077 55.803 -0.227 0.000 0.836 348 Q CB -0.337 28.145 28.738 -0.426 0.000 0.899 348 Q HN 0.606 nan 8.270 nan 0.000 0.437 349 L N 2.541 123.675 121.223 -0.149 0.000 2.578 349 L HA -0.008 4.332 4.340 -0.000 0.000 0.279 349 L C -1.975 174.831 176.870 -0.108 0.000 1.227 349 L CA -0.361 54.414 54.840 -0.108 0.000 0.900 349 L CB -0.876 41.126 42.059 -0.095 0.000 1.144 349 L HN 0.070 nan 8.230 nan 0.000 0.496 350 P HA -0.030 nan 4.420 nan 0.000 0.271 350 P C -0.759 176.449 177.300 -0.153 0.000 1.233 350 P CA -0.182 62.849 63.100 -0.115 0.000 0.795 350 P CB 0.321 32.000 31.700 -0.034 0.000 0.936 351 Q N 1.800 121.436 119.800 -0.273 0.000 2.361 351 Q HA 0.169 4.509 4.340 -0.000 0.000 0.250 351 Q C -0.370 175.617 176.000 -0.023 0.000 1.023 351 Q CA -0.030 55.610 55.803 -0.272 0.000 0.915 351 Q CB 0.001 28.298 28.738 -0.735 0.000 1.238 351 Q HN 0.367 nan 8.270 nan 0.000 0.451 352 N N 3.577 122.248 118.700 -0.048 0.000 2.452 352 N HA 0.109 4.849 4.740 -0.000 0.000 0.266 352 N C -0.241 175.247 175.510 -0.038 0.000 1.175 352 N CA 0.156 53.168 53.050 -0.063 0.000 0.945 352 N CB 1.032 39.345 38.487 -0.290 0.000 1.063 352 N HN 0.399 nan 8.380 nan 0.000 0.472 353 I N 3.089 123.673 120.570 0.023 0.000 2.460 353 I HA 0.051 4.221 4.170 -0.000 0.000 0.277 353 I C 0.094 176.087 176.117 -0.206 0.000 1.057 353 I CA -0.645 60.581 61.300 -0.124 0.000 1.179 353 I CB 0.540 38.515 38.000 -0.042 0.000 1.329 353 I HN 0.188 nan 8.210 nan 0.000 0.478 354 Q N 6.165 125.814 119.800 -0.252 0.000 2.362 354 Q HA 0.195 4.535 4.340 -0.000 0.000 0.305 354 Q C -0.845 175.079 176.000 -0.128 0.000 1.120 354 Q CA 1.072 56.800 55.803 -0.125 0.000 1.011 354 Q CB 0.352 29.013 28.738 -0.130 0.000 1.048 354 Q HN 0.420 nan 8.270 nan 0.000 0.386 355 F N -0.148 119.865 119.950 0.104 0.000 2.650 355 F HA 0.136 4.663 4.527 -0.000 0.000 0.310 355 F C -0.212 175.707 175.800 0.198 0.000 1.112 355 F CA -1.048 57.014 58.000 0.104 0.000 0.986 355 F CB 2.011 41.056 39.000 0.074 0.000 1.285 355 F HN 0.185 nan 8.300 nan 0.000 0.440 356 S N 4.093 119.949 115.700 0.261 0.000 2.513 356 S HA 0.174 4.644 4.470 -0.000 0.000 0.276 356 S C -1.742 172.782 174.600 -0.126 0.000 1.254 356 S CA -1.096 57.126 58.200 0.036 0.000 1.053 356 S CB 1.304 64.493 63.200 -0.017 0.000 0.958 356 S HN 0.410 nan 8.310 nan 0.000 0.491 357 P HA -0.052 nan 4.420 nan 0.000 0.242 357 P C 0.674 177.815 177.300 -0.265 0.000 1.198 357 P CA 0.585 63.394 63.100 -0.484 0.000 0.756 357 P CB -0.190 30.862 31.700 -1.080 0.000 0.911 358 S N -1.692 113.881 115.700 -0.212 0.000 2.503 358 S HA 0.334 4.804 4.470 -0.000 0.000 0.215 358 S C 1.214 175.726 174.600 -0.147 0.000 1.003 358 S CA -0.239 57.867 58.200 -0.155 0.000 0.910 358 S CB -0.298 62.826 63.200 -0.127 0.000 0.790 358 S HN 0.196 nan 8.310 nan 0.000 0.514 359 A N 2.677 125.382 122.820 -0.191 0.000 2.351 359 A HA 0.462 4.782 4.320 -0.000 0.000 0.257 359 A C 0.654 178.109 177.584 -0.215 0.000 1.087 359 A CA -0.508 51.385 52.037 -0.239 0.000 0.798 359 A CB 0.307 19.051 19.000 -0.427 0.000 1.033 359 A HN 0.161 nan 8.150 nan 0.000 0.488 360 K N -0.204 120.086 120.400 -0.183 0.000 2.168 360 K HA -0.027 4.293 4.320 -0.000 0.000 0.244 360 K C 1.017 177.534 176.600 -0.139 0.000 1.065 360 K CA -0.040 56.165 56.287 -0.136 0.000 0.808 360 K CB 0.035 32.471 32.500 -0.106 0.000 1.080 360 K HN 0.609 nan 8.250 nan 0.000 0.526 361 L N 1.011 122.176 121.223 -0.096 0.000 2.185 361 L HA -0.045 4.295 4.340 -0.000 0.000 0.198 361 L C 2.173 179.018 176.870 -0.041 0.000 1.079 361 L CA 1.150 55.950 54.840 -0.067 0.000 0.780 361 L CB -0.491 41.524 42.059 -0.072 0.000 0.955 361 L HN 0.404 nan 8.230 nan 0.000 0.462 362 Q N 0.432 120.202 119.800 -0.050 0.000 2.325 362 Q HA -0.256 4.084 4.340 -0.000 0.000 0.211 362 Q C 1.275 177.291 176.000 0.027 0.000 0.988 362 Q CA 1.619 57.415 55.803 -0.011 0.000 0.887 362 Q CB -0.220 28.501 28.738 -0.028 0.000 0.915 362 Q HN 0.667 nan 8.270 nan 0.000 0.440 363 E N -0.395 119.795 120.200 -0.015 0.000 2.403 363 E HA 0.026 4.376 4.350 -0.000 0.000 0.187 363 E C 0.985 177.634 176.600 0.082 0.000 1.073 363 E CA -0.169 56.235 56.400 0.006 0.000 0.888 363 E CB 0.556 30.192 29.700 -0.108 0.000 1.035 363 E HN 0.051 nan 8.360 nan 0.000 0.471 364 V N -0.300 119.691 119.914 0.129 0.000 3.350 364 V HA -0.038 4.082 4.120 -0.000 0.000 0.246 364 V C 1.455 177.698 176.094 0.248 0.000 1.363 364 V CA 0.138 62.601 62.300 0.271 0.000 1.162 364 V CB 0.433 32.351 31.823 0.159 0.000 0.947 364 V HN 0.181 nan 8.190 nan 0.000 0.454 365 L N 0.540 121.860 121.223 0.162 0.000 2.007 365 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 365 L C 2.049 179.006 176.870 0.144 0.000 1.073 365 L CA 2.147 57.075 54.840 0.147 0.000 0.744 365 L CB -0.532 41.623 42.059 0.158 0.000 0.898 365 L HN 0.254 nan 8.230 nan 0.000 0.435 366 D N -1.543 118.944 120.400 0.145 0.000 2.309 366 D HA -0.231 4.409 4.640 -0.000 0.000 0.212 366 D C 1.799 178.200 176.300 0.169 0.000 0.968 366 D CA 1.128 55.207 54.000 0.131 0.000 0.882 366 D CB -0.009 40.859 40.800 0.113 0.000 0.918 366 D HN 0.491 nan 8.370 nan 0.000 0.503 367 Y N 1.519 121.889 120.300 0.116 0.000 2.184 367 Y HA -0.079 4.471 4.550 -0.000 0.000 0.290 367 Y C 2.074 178.035 175.900 0.102 0.000 1.129 367 Y CA 1.113 59.292 58.100 0.132 0.000 1.144 367 Y CB -0.515 38.065 38.460 0.201 0.000 0.995 367 Y HN -0.139 nan 8.280 nan 0.000 0.513 368 L N -0.450 120.716 121.223 -0.095 0.000 2.362 368 L HA -0.125 4.215 4.340 -0.000 0.000 0.219 368 L C 1.712 178.529 176.870 -0.089 0.000 1.134 368 L CA 1.543 56.281 54.840 -0.170 0.000 0.807 368 L CB -0.633 41.409 42.059 -0.029 0.000 0.927 368 L HN 0.227 nan 8.230 nan 0.000 0.447 369 T N -1.497 113.041 114.554 -0.027 0.000 3.044 369 T HA 0.098 4.448 4.350 -0.000 0.000 0.250 369 T C 1.351 176.048 174.700 -0.005 0.000 1.081 369 T CA 0.327 62.428 62.100 0.001 0.000 1.040 369 T CB 0.115 69.005 68.868 0.036 0.000 0.962 369 T HN 0.290 nan 8.240 nan 0.000 0.506 370 N N 0.391 119.078 118.700 -0.021 0.000 2.211 370 N HA 0.093 4.833 4.740 -0.000 0.000 0.216 370 N C 0.401 175.895 175.510 -0.027 0.000 1.240 370 N CA 0.042 53.092 53.050 -0.001 0.000 0.895 370 N CB 0.555 39.067 38.487 0.042 0.000 1.102 370 N HN 0.134 nan 8.380 nan 0.000 0.498 371 S N 1.456 117.083 115.700 -0.122 0.000 2.519 371 S HA 0.227 4.697 4.470 -0.000 0.000 0.310 371 S C 1.432 175.989 174.600 -0.072 0.000 1.201 371 S CA -0.154 57.964 58.200 -0.137 0.000 1.179 371 S CB 0.180 63.120 63.200 -0.433 0.000 1.104 371 S HN 0.332 nan 8.310 nan 0.000 0.527 372 A N 4.462 127.275 122.820 -0.012 0.000 2.204 372 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 372 A C 2.348 179.936 177.584 0.008 0.000 1.165 372 A CA 1.875 53.918 52.037 0.010 0.000 0.671 372 A CB -0.764 18.252 19.000 0.027 0.000 0.792 372 A HN 0.826 nan 8.150 nan 0.000 0.473 373 S N -1.316 114.377 115.700 -0.012 0.000 2.496 373 S HA 0.106 4.576 4.470 -0.000 0.000 0.224 373 S C 0.965 175.554 174.600 -0.018 0.000 0.996 373 S CA 1.188 59.383 58.200 -0.008 0.000 0.927 373 S CB -0.210 62.989 63.200 -0.001 0.000 0.774 373 S HN 0.980 nan 8.310 nan 0.000 0.524 374 L N -0.488 120.710 121.223 -0.042 0.000 3.695 374 L HA 0.442 4.782 4.340 -0.000 0.000 0.349 374 L C -0.395 176.463 176.870 -0.021 0.000 1.304 374 L CA -0.614 54.210 54.840 -0.026 0.000 1.078 374 L CB -1.119 40.924 42.059 -0.026 0.000 1.440 374 L HN -0.022 nan 8.230 nan 0.000 0.620 375 Q N 1.884 121.671 119.800 -0.021 0.000 3.645 375 Q HA 0.050 4.390 4.340 -0.000 0.000 0.393 375 Q C -0.455 175.550 176.000 0.008 0.000 1.026 375 Q CA 1.340 57.138 55.803 -0.008 0.000 1.285 375 Q CB -0.303 28.445 28.738 0.016 0.000 1.038 375 Q HN 0.536 nan 8.270 nan 0.000 0.464 376 M N 2.110 121.712 119.600 0.003 0.000 2.508 376 M HA 0.216 4.696 4.480 -0.000 0.000 0.327 376 M C 0.723 177.034 176.300 0.019 0.000 1.160 376 M CA -0.833 54.479 55.300 0.019 0.000 0.980 376 M CB 1.830 34.444 32.600 0.024 0.000 1.693 376 M HN 0.421 nan 8.290 nan 0.000 0.452 377 K N 0.818 121.232 120.400 0.023 0.000 2.076 377 K HA 0.139 4.459 4.320 -0.000 0.000 0.204 377 K C -0.137 176.473 176.600 0.016 0.000 1.051 377 K CA 1.062 57.361 56.287 0.019 0.000 0.949 377 K CB 0.470 32.983 32.500 0.022 0.000 0.726 377 K HN 0.591 nan 8.250 nan 0.000 0.443 378 S N 1.410 117.116 115.700 0.010 0.000 2.787 378 S HA 0.206 4.676 4.470 -0.000 0.000 0.140 378 S C -2.829 171.753 174.600 -0.029 0.000 1.240 378 S CA -1.091 57.103 58.200 -0.008 0.000 1.163 378 S CB 1.179 64.369 63.200 -0.018 0.000 1.652 378 S HN 0.170 nan 8.310 nan 0.000 0.443 379 P HA 0.421 nan 4.420 nan 0.000 0.269 379 P C -0.846 176.410 177.300 -0.072 0.000 1.217 379 P CA -0.220 62.867 63.100 -0.020 0.000 0.783 379 P CB 0.632 32.334 31.700 0.004 0.000 0.898 380 A N 2.416 125.201 122.820 -0.058 0.000 2.499 380 A HA 0.538 4.858 4.320 -0.000 0.000 0.280 380 A C -0.549 177.018 177.584 -0.028 0.000 1.135 380 A CA -0.562 51.422 52.037 -0.088 0.000 0.744 380 A CB 0.044 18.984 19.000 -0.100 0.000 1.213 380 A HN 0.291 nan 8.150 nan 0.000 0.434 381 I N 2.187 122.759 120.570 0.004 0.000 2.472 381 I HA 0.659 4.829 4.170 -0.000 0.000 0.290 381 I C 0.848 176.988 176.117 0.038 0.000 1.016 381 I CA 0.334 61.644 61.300 0.016 0.000 1.348 381 I CB 1.744 39.756 38.000 0.021 0.000 1.417 381 I HN 0.705 nan 8.210 nan 0.000 0.521 382 T N 1.852 116.426 114.554 0.033 0.000 2.853 382 T HA 0.971 5.321 4.350 -0.000 0.000 0.311 382 T C -0.778 173.946 174.700 0.040 0.000 1.307 382 T CA -0.610 61.514 62.100 0.040 0.000 1.019 382 T CB 1.839 70.728 68.868 0.035 0.000 1.264 382 T HN 0.998 nan 8.240 nan 0.000 0.497 383 A N 0.470 123.313 122.820 0.039 0.000 2.493 383 A HA 0.780 5.100 4.320 -0.000 0.000 0.300 383 A C -0.506 177.097 177.584 0.032 0.000 1.152 383 A CA -0.936 51.123 52.037 0.037 0.000 0.643 383 A CB 0.621 19.644 19.000 0.037 0.000 1.316 383 A HN 0.949 nan 8.150 nan 0.000 0.469 384 T N 2.317 116.888 114.554 0.028 0.000 3.477 384 T HA 0.303 4.653 4.350 -0.000 0.000 0.347 384 T C 1.189 175.903 174.700 0.024 0.000 1.567 384 T CA -0.158 61.956 62.100 0.024 0.000 1.169 384 T CB -0.537 68.342 68.868 0.020 0.000 1.196 384 T HN 0.446 nan 8.240 nan 0.000 0.768 385 L N 1.352 122.590 121.223 0.026 0.000 2.191 385 L HA -0.002 4.338 4.340 -0.000 0.000 0.212 385 L C 1.727 178.610 176.870 0.022 0.000 1.103 385 L CA 1.404 56.259 54.840 0.026 0.000 0.769 385 L CB -0.214 41.861 42.059 0.027 0.000 0.908 385 L HN 0.749 nan 8.230 nan 0.000 0.438 386 E N -1.415 118.796 120.200 0.019 0.000 2.952 386 E HA 0.411 4.761 4.350 -0.000 0.000 0.347 386 E C 0.635 177.244 176.600 0.015 0.000 1.103 386 E CA 0.431 56.841 56.400 0.017 0.000 0.910 386 E CB -0.540 29.170 29.700 0.016 0.000 1.428 386 E HN 0.318 nan 8.360 nan 0.000 0.389 387 G N 1.033 109.841 108.800 0.014 0.000 2.270 387 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.268 387 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.268 387 G C 0.553 175.462 174.900 0.014 0.000 0.982 387 G CA 1.177 46.285 45.100 0.013 0.000 0.628 387 G HN 1.377 nan 8.290 nan 0.000 0.544 388 K N 0.091 120.500 120.400 0.016 0.000 2.376 388 K HA 0.508 4.828 4.320 -0.000 0.000 0.257 388 K C -0.667 175.945 176.600 0.020 0.000 0.939 388 K CA -1.102 55.196 56.287 0.017 0.000 0.809 388 K CB 1.362 33.872 32.500 0.016 0.000 1.121 388 K HN 0.004 nan 8.250 nan 0.000 0.425 389 N N 3.448 122.161 118.700 0.021 0.000 2.400 389 N HA -0.011 4.729 4.740 -0.000 0.000 0.278 389 N C -0.389 175.137 175.510 0.026 0.000 1.247 389 N CA 0.121 53.186 53.050 0.025 0.000 0.970 389 N CB 0.447 38.949 38.487 0.025 0.000 1.312 389 N HN 0.439 nan 8.380 nan 0.000 0.488 390 R N 0.792 121.309 120.500 0.028 0.000 2.500 390 R HA 0.216 4.556 4.340 -0.000 0.000 0.275 390 R C -0.270 176.053 176.300 0.037 0.000 1.051 390 R CA -0.132 55.987 56.100 0.031 0.000 1.088 390 R CB 0.551 30.869 30.300 0.031 0.000 1.063 390 R HN 0.194 nan 8.270 nan 0.000 0.511 391 T N 6.390 120.969 114.554 0.041 0.000 3.316 391 T HA 0.166 4.516 4.350 -0.000 0.000 0.341 391 T C 1.025 175.770 174.700 0.075 0.000 1.397 391 T CA -0.348 61.781 62.100 0.049 0.000 1.085 391 T CB -0.018 68.874 68.868 0.040 0.000 1.160 391 T HN 0.391 nan 8.240 nan 0.000 0.694 392 L N 1.712 122.982 121.223 0.079 0.000 2.151 392 L HA -0.069 4.271 4.340 -0.000 0.000 0.215 392 L C 0.443 177.429 176.870 0.193 0.000 1.084 392 L CA 1.585 56.485 54.840 0.100 0.000 0.764 392 L CB -0.794 41.315 42.059 0.084 0.000 0.891 392 L HN 0.645 nan 8.230 nan 0.000 0.435 393 Y N -2.235 118.070 120.300 0.008 0.000 2.554 393 Y HA 0.488 5.038 4.550 0.000 0.000 0.338 393 Y C -1.595 174.312 175.900 0.011 0.000 1.247 393 Y CA -2.026 56.079 58.100 0.009 0.000 1.255 393 Y CB 0.621 39.085 38.460 0.007 0.000 1.346 393 Y HN -0.195 nan 8.280 nan 0.000 0.481 394 L N 3.425 124.362 121.223 -0.477 0.000 2.491 394 L HA 0.609 4.949 4.340 -0.000 0.000 0.254 394 L C -0.405 176.059 176.870 -0.678 0.000 1.048 394 L CA -0.158 54.409 54.840 -0.455 0.000 0.855 394 L CB 2.425 44.382 42.059 -0.171 0.000 1.466 394 L HN 0.768 nan 8.230 nan 0.000 0.409 395 Q N -0.640 118.914 119.800 -0.410 0.000 2.113 395 Q HA 0.209 4.549 4.340 -0.000 0.000 0.225 395 Q C 0.570 176.494 176.000 -0.127 0.000 0.786 395 Q CA 0.447 56.072 55.803 -0.297 0.000 0.989 395 Q CB 0.671 29.250 28.738 -0.265 0.000 1.174 395 Q HN 0.899 nan 8.270 nan 0.000 0.470 396 S N 0.410 116.049 115.700 -0.102 0.000 2.500 396 S HA -0.103 4.367 4.470 -0.000 0.000 0.210 396 S C 0.788 175.368 174.600 -0.033 0.000 1.101 396 S CA 1.053 59.223 58.200 -0.051 0.000 1.272 396 S CB -0.700 62.478 63.200 -0.037 0.000 1.071 396 S HN 0.432 nan 8.310 nan 0.000 0.397 397 V N 2.208 122.106 119.914 -0.026 0.000 2.479 397 V HA 0.232 4.352 4.120 -0.000 0.000 0.281 397 V C 1.411 177.503 176.094 -0.004 0.000 1.031 397 V CA 0.123 62.416 62.300 -0.011 0.000 1.038 397 V CB 0.004 31.823 31.823 -0.006 0.000 0.981 397 V HN 0.697 nan 8.190 nan 0.000 0.478 398 T N 1.302 115.858 114.554 0.004 0.000 3.026 398 T HA -0.184 4.166 4.350 -0.000 0.000 0.271 398 T C 1.676 176.392 174.700 0.026 0.000 1.149 398 T CA 1.415 63.525 62.100 0.017 0.000 1.088 398 T CB -0.524 68.355 68.868 0.019 0.000 0.857 398 T HN 1.144 nan 8.240 nan 0.000 0.551 399 S N 1.814 117.526 115.700 0.020 0.000 2.356 399 S HA 0.120 4.590 4.470 -0.000 0.000 0.219 399 S C 1.978 176.599 174.600 0.036 0.000 1.036 399 S CA 0.387 58.602 58.200 0.025 0.000 0.965 399 S CB -0.699 62.512 63.200 0.018 0.000 0.864 399 S HN 0.544 nan 8.310 nan 0.000 0.471 400 I N 2.976 123.565 120.570 0.031 0.000 3.001 400 I HA -0.061 4.109 4.170 -0.000 0.000 0.268 400 I C 2.541 178.708 176.117 0.083 0.000 1.267 400 I CA 1.180 62.508 61.300 0.046 0.000 1.472 400 I CB -0.522 37.494 38.000 0.026 0.000 1.089 400 I HN 0.603 nan 8.210 nan 0.000 0.468 401 E N 1.451 121.696 120.200 0.074 0.000 2.409 401 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 401 E C 1.409 178.160 176.600 0.252 0.000 1.024 401 E CA 1.069 57.558 56.400 0.149 0.000 0.861 401 E CB -0.028 29.721 29.700 0.082 0.000 0.788 401 E HN 0.572 nan 8.360 nan 0.000 0.521 402 E N 0.099 120.384 120.200 0.141 0.000 2.399 402 E HA 0.160 4.510 4.350 -0.000 0.000 0.205 402 E C 1.794 178.439 176.600 0.074 0.000 0.906 402 E CA -0.269 56.190 56.400 0.098 0.000 0.998 402 E CB 0.306 30.044 29.700 0.062 0.000 1.002 402 E HN 0.130 nan 8.360 nan 0.000 0.501 403 R N 0.697 121.244 120.500 0.078 0.000 2.237 403 R HA -0.052 4.288 4.340 -0.000 0.000 0.219 403 R C 1.874 178.213 176.300 0.066 0.000 1.080 403 R CA 1.748 57.883 56.100 0.058 0.000 0.995 403 R CB -0.104 30.227 30.300 0.052 0.000 0.875 403 R HN 0.196 nan 8.270 nan 0.000 0.462 404 T N -2.933 111.689 114.554 0.114 0.000 2.978 404 T HA 0.092 4.442 4.350 -0.000 0.000 0.248 404 T C 1.727 176.407 174.700 -0.033 0.000 1.018 404 T CA -0.352 61.816 62.100 0.114 0.000 1.026 404 T CB 0.074 69.127 68.868 0.309 0.000 1.032 404 T HN 0.061 nan 8.240 nan 0.000 0.485 405 R N 2.138 122.613 120.500 -0.042 0.000 2.159 405 R HA -0.136 4.204 4.340 -0.000 0.000 0.252 405 R C -0.920 175.264 176.300 -0.194 0.000 1.144 405 R CA 2.216 58.189 56.100 -0.212 0.000 0.961 405 R CB -1.311 28.958 30.300 -0.051 0.000 0.877 405 R HN 0.336 nan 8.270 nan 0.000 0.444 406 P HA -0.083 nan 4.420 nan 0.000 0.220 406 P C 0.092 177.337 177.300 -0.092 0.000 1.148 406 P CA 1.193 64.247 63.100 -0.078 0.000 0.803 406 P CB -0.117 31.558 31.700 -0.041 0.000 0.782 407 N N -0.748 117.889 118.700 -0.105 0.000 2.512 407 N HA -0.015 4.725 4.740 -0.000 0.000 0.183 407 N C 1.393 176.821 175.510 -0.136 0.000 1.073 407 N CA 0.636 53.631 53.050 -0.091 0.000 0.911 407 N CB -0.296 38.159 38.487 -0.053 0.000 0.964 407 N HN 0.272 nan 8.380 nan 0.000 0.447 408 L N 0.436 121.524 121.223 -0.225 0.000 2.622 408 L HA 0.003 4.343 4.340 -0.000 0.000 0.233 408 L C 0.766 177.551 176.870 -0.142 0.000 1.156 408 L CA 0.587 55.282 54.840 -0.242 0.000 0.866 408 L CB 0.064 41.905 42.059 -0.362 0.000 0.980 408 L HN -0.012 nan 8.230 nan 0.000 0.448 409 S N -1.402 114.231 115.700 -0.111 0.000 2.754 409 S HA 0.238 4.708 4.470 -0.000 0.000 0.247 409 S C 0.265 174.824 174.600 -0.068 0.000 1.031 409 S CA -0.402 57.749 58.200 -0.082 0.000 1.014 409 S CB 0.384 63.542 63.200 -0.070 0.000 0.918 409 S HN 0.231 nan 8.310 nan 0.000 0.519 410 K N 1.454 121.813 120.400 -0.068 0.000 2.354 410 K HA 0.621 4.941 4.320 -0.000 0.000 0.238 410 K C 0.185 176.749 176.600 -0.060 0.000 1.068 410 K CA -0.690 55.564 56.287 -0.055 0.000 0.925 410 K CB 0.925 33.400 32.500 -0.042 0.000 1.286 410 K HN 0.237 nan 8.250 nan 0.000 0.500 411 T N -2.704 111.819 114.554 -0.053 0.000 2.883 411 T HA 0.328 4.678 4.350 -0.000 0.000 0.284 411 T C 1.289 175.972 174.700 -0.028 0.000 1.041 411 T CA -0.862 61.201 62.100 -0.061 0.000 1.007 411 T CB 0.489 69.306 68.868 -0.084 0.000 1.220 411 T HN 0.402 nan 8.240 nan 0.000 0.552 412 L N 0.394 121.609 121.223 -0.013 0.000 2.079 412 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 412 L C 3.366 180.272 176.870 0.060 0.000 1.081 412 L CA 2.105 56.990 54.840 0.074 0.000 0.752 412 L CB -0.935 41.248 42.059 0.207 0.000 0.896 412 L HN 0.991 nan 8.230 nan 0.000 0.433 413 K N -0.174 120.215 120.400 -0.018 0.000 2.062 413 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 413 K C 1.909 178.503 176.600 -0.010 0.000 1.051 413 K CA 1.451 57.724 56.287 -0.024 0.000 0.941 413 K CB -0.738 31.712 32.500 -0.082 0.000 0.719 413 K HN 0.216 nan 8.250 nan 0.000 0.440 414 E N -0.233 119.953 120.200 -0.023 0.000 2.331 414 E HA -0.029 4.321 4.350 -0.000 0.000 0.199 414 E C 1.334 177.931 176.600 -0.006 0.000 1.008 414 E CA 0.851 57.239 56.400 -0.020 0.000 0.843 414 E CB -0.146 29.535 29.700 -0.031 0.000 0.761 414 E HN 0.544 nan 8.360 nan 0.000 0.507 415 L N -1.886 119.341 121.223 0.008 0.000 2.858 415 L HA 0.309 4.649 4.340 -0.000 0.000 0.251 415 L C 0.723 177.609 176.870 0.028 0.000 1.149 415 L CA 0.161 55.011 54.840 0.016 0.000 0.955 415 L CB 0.743 42.814 42.059 0.020 0.000 1.289 415 L HN 0.257 nan 8.230 nan 0.000 0.542 416 G N 1.513 110.333 108.800 0.033 0.000 2.303 416 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 416 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 416 G C -0.366 174.570 174.900 0.061 0.000 1.106 416 G CA -0.359 44.766 45.100 0.042 0.000 0.900 416 G HN 0.183 nan 8.290 nan 0.000 0.495 417 L N 0.669 121.949 121.223 0.095 0.000 2.313 417 L HA 0.544 4.884 4.340 -0.000 0.000 0.273 417 L C 1.251 178.244 176.870 0.206 0.000 1.028 417 L CA -0.954 53.961 54.840 0.125 0.000 0.871 417 L CB 1.259 43.400 42.059 0.137 0.000 1.242 417 L HN 0.188 nan 8.230 nan 0.000 0.434 418 V N 2.698 122.685 119.914 0.122 0.000 3.950 418 V HA 0.171 4.291 4.120 -0.000 0.000 0.265 418 V C -0.378 175.669 176.094 -0.080 0.000 0.909 418 V CA 0.176 62.551 62.300 0.125 0.000 0.910 418 V CB 1.337 33.189 31.823 0.049 0.000 1.213 418 V HN 0.914 nan 8.190 nan 0.000 0.409 419 D N -0.783 119.470 120.400 -0.245 0.000 2.738 419 D HA 0.583 5.223 4.640 -0.000 0.000 0.237 419 D C 0.155 176.241 176.300 -0.357 0.000 1.123 419 D CA 0.060 53.718 54.000 -0.570 0.000 0.856 419 D CB 1.199 41.314 40.800 -1.141 0.000 1.552 419 D HN 1.201 nan 8.370 nan 0.000 0.480 420 G N 1.442 110.030 108.800 -0.353 0.000 2.184 420 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.206 420 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.206 420 G C -0.109 174.718 174.900 -0.122 0.000 0.995 420 G CA 0.105 45.055 45.100 -0.251 0.000 0.651 420 G HN 0.887 nan 8.290 nan 0.000 0.511 421 Q N 0.804 120.537 119.800 -0.113 0.000 2.267 421 Q HA 0.619 4.959 4.340 -0.000 0.000 0.255 421 Q C -0.258 175.742 176.000 0.001 0.000 0.923 421 Q CA -0.556 55.220 55.803 -0.045 0.000 0.925 421 Q CB 1.221 29.935 28.738 -0.039 0.000 1.195 421 Q HN 0.496 nan 8.270 nan 0.000 0.417 422 E N 3.017 123.234 120.200 0.029 0.000 2.360 422 E HA 0.159 4.509 4.350 -0.000 0.000 0.269 422 E C -0.665 175.983 176.600 0.081 0.000 1.022 422 E CA -0.082 56.362 56.400 0.074 0.000 0.887 422 E CB 0.682 30.421 29.700 0.065 0.000 0.990 422 E HN 0.515 nan 8.360 nan 0.000 0.426 423 L N 2.588 123.885 121.223 0.124 0.000 2.445 423 L HA 0.370 4.710 4.340 -0.000 0.000 0.252 423 L C 0.077 177.006 176.870 0.099 0.000 1.105 423 L CA -0.918 53.970 54.840 0.080 0.000 0.943 423 L CB 0.857 42.939 42.059 0.038 0.000 1.277 423 L HN 0.533 nan 8.230 nan 0.000 0.465 424 A N 2.055 124.940 122.820 0.109 0.000 2.587 424 A HA 0.356 4.676 4.320 -0.000 0.000 0.235 424 A C 0.154 177.791 177.584 0.088 0.000 1.044 424 A CA 0.326 52.438 52.037 0.126 0.000 0.754 424 A CB 0.220 19.272 19.000 0.086 0.000 0.968 424 A HN 0.380 nan 8.150 nan 0.000 0.509 425 V N 1.572 121.568 119.914 0.137 0.000 2.715 425 V HA 0.764 4.884 4.120 -0.000 0.000 0.310 425 V C 0.450 176.598 176.094 0.090 0.000 1.054 425 V CA 0.016 62.367 62.300 0.085 0.000 0.928 425 V CB 1.705 33.590 31.823 0.104 0.000 1.007 425 V HN 1.359 nan 8.190 nan 0.000 0.437 426 A N 2.488 125.338 122.820 0.050 0.000 2.435 426 A HA 0.888 5.208 4.320 -0.000 0.000 0.304 426 A C -1.294 176.312 177.584 0.036 0.000 1.064 426 A CA -0.393 51.670 52.037 0.043 0.000 0.727 426 A CB 1.892 20.910 19.000 0.031 0.000 1.284 426 A HN 0.762 nan 8.150 nan 0.000 0.415 427 D N 0.224 120.652 120.400 0.047 0.000 2.599 427 D HA 0.360 5.000 4.640 -0.000 0.000 0.252 427 D C 0.724 177.076 176.300 0.087 0.000 1.232 427 D CA -0.352 53.679 54.000 0.052 0.000 0.819 427 D CB 2.093 42.924 40.800 0.052 0.000 1.401 427 D HN 0.166 nan 8.370 nan 0.000 0.429 428 V N 0.839 120.807 119.914 0.090 0.000 2.759 428 V HA -0.116 4.004 4.120 -0.000 0.000 0.256 428 V C 2.136 178.353 176.094 0.205 0.000 1.080 428 V CA 1.896 64.276 62.300 0.133 0.000 1.101 428 V CB -0.635 31.235 31.823 0.077 0.000 0.698 428 V HN 0.629 nan 8.190 nan 0.000 0.477 429 T N -0.853 113.785 114.554 0.139 0.000 2.867 429 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 429 T C 0.949 175.713 174.700 0.106 0.000 1.057 429 T CA 1.846 64.023 62.100 0.129 0.000 1.136 429 T CB -0.066 68.846 68.868 0.073 0.000 0.874 429 T HN 0.610 nan 8.240 nan 0.000 0.466 430 T N 0.503 115.074 114.554 0.029 0.000 2.982 430 T HA 0.355 4.705 4.350 -0.000 0.000 0.321 430 T C -2.515 172.015 174.700 -0.283 0.000 1.229 430 T CA -1.697 60.278 62.100 -0.210 0.000 1.044 430 T CB 2.278 71.056 68.868 -0.150 0.000 1.184 430 T HN -0.233 nan 8.240 nan 0.000 0.477 431 P HA 0.072 nan 4.420 nan 0.000 0.242 431 P C 0.331 177.512 177.300 -0.199 0.000 1.197 431 P CA 0.220 63.093 63.100 -0.379 0.000 0.765 431 P CB 0.403 31.656 31.700 -0.746 0.000 0.936 432 Q N -0.205 119.473 119.800 -0.203 0.000 2.249 432 Q HA 0.313 4.653 4.340 -0.000 0.000 0.226 432 Q C -0.318 175.661 176.000 -0.035 0.000 0.983 432 Q CA 0.090 55.829 55.803 -0.106 0.000 0.930 432 Q CB 0.821 29.494 28.738 -0.109 0.000 1.193 432 Q HN -0.119 nan 8.270 nan 0.000 0.508 433 T N 1.100 115.652 114.554 -0.004 0.000 2.912 433 T HA 0.247 4.597 4.350 -0.000 0.000 0.326 433 T C -1.021 173.712 174.700 0.054 0.000 1.080 433 T CA -0.366 61.756 62.100 0.036 0.000 1.000 433 T CB 0.842 69.734 68.868 0.039 0.000 1.008 433 T HN 0.344 nan 8.240 nan 0.000 0.473 434 V N 6.660 126.632 119.914 0.097 0.000 2.508 434 V HA 0.487 4.607 4.120 -0.000 0.000 0.281 434 V C -0.397 175.835 176.094 0.230 0.000 1.041 434 V CA -0.305 62.057 62.300 0.104 0.000 1.016 434 V CB 0.159 32.057 31.823 0.124 0.000 0.984 434 V HN 0.704 nan 8.190 nan 0.000 0.478 435 L N 7.196 128.474 121.223 0.091 0.000 2.334 435 L HA 0.610 4.950 4.340 -0.000 0.000 0.275 435 L C -1.109 175.835 176.870 0.123 0.000 1.036 435 L CA -0.431 54.522 54.840 0.188 0.000 0.807 435 L CB 1.564 43.667 42.059 0.073 0.000 1.231 435 L HN 0.520 nan 8.230 nan 0.000 0.438 436 F N 1.205 121.175 119.950 0.035 0.000 2.539 436 F HA 0.334 4.861 4.527 -0.000 0.000 0.328 436 F C 0.194 176.017 175.800 0.038 0.000 1.148 436 F CA -0.991 57.035 58.000 0.043 0.000 0.940 436 F CB 1.535 40.578 39.000 0.071 0.000 1.194 436 F HN 0.288 nan 8.300 nan 0.000 0.438 437 K N 4.814 125.320 120.400 0.176 0.000 2.220 437 K HA 0.203 4.523 4.320 -0.000 0.000 0.283 437 K C -0.156 176.566 176.600 0.203 0.000 1.098 437 K CA -0.403 55.967 56.287 0.139 0.000 0.928 437 K CB 0.277 32.847 32.500 0.117 0.000 1.214 437 K HN 0.590 nan 8.250 nan 0.000 0.442 438 L N 4.133 125.425 121.223 0.115 0.000 2.483 438 L HA 0.051 4.391 4.340 -0.000 0.000 0.276 438 L C -0.741 176.111 176.870 -0.030 0.000 1.213 438 L CA 0.820 55.702 54.840 0.069 0.000 0.843 438 L CB 0.130 42.170 42.059 -0.031 0.000 1.107 438 L HN 0.708 nan 8.230 nan 0.000 0.487 439 H N 4.099 123.096 119.070 -0.121 0.000 2.679 439 H HA 0.406 4.962 4.556 -0.000 0.000 0.360 439 H C -1.036 174.314 175.328 0.037 0.000 1.105 439 H CA -0.341 55.637 56.048 -0.116 0.000 1.196 439 H CB 1.536 31.277 29.762 -0.035 0.000 1.636 439 H HN 0.423 nan 8.280 nan 0.000 0.531 440 F N 2.778 122.796 119.950 0.112 0.000 2.385 440 F HA 0.358 4.885 4.527 0.000 0.000 0.360 440 F C 0.626 176.482 175.800 0.094 0.000 1.122 440 F CA -0.577 57.479 58.000 0.093 0.000 1.090 440 F CB 1.135 40.160 39.000 0.042 0.000 1.150 440 F HN 0.487 nan 8.300 nan 0.000 0.472 441 T N 0.000 114.732 114.554 0.296 0.000 3.816 441 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 441 T CA 0.000 62.206 62.100 0.176 0.000 1.349 441 T CB 0.000 68.951 68.868 0.139 0.000 0.612 441 T HN 0.000 nan 8.240 nan 0.000 0.658