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 2rjb_1_A DATA FIRST_RESID 2 DATA SEQUENCE ANSITADEIR EQFSQAXSAX YQQEVPQYGT LLELVADVNL AVLENNPQLH DATA SEQUENCE EKXVNADELA RLNVERHGAI RVGTAQELAT LRRXFAIXGX YPVSYYDLSQ DATA SEQUENCE AGVPVHSTAF RPIDDASLAR NPFRVFTSLL RLELIENEIL RQKAAEILRQ DATA SEQUENCE RDIFTPRCRQ LLEEYEQQGG FNETQAQEFV QEALETFRWH QLATVDEETY DATA SEQUENCE RALHNEHRLI ADVVCFPGCH INHLTPRTLD IDRVQSXXPE CGIEPKILIE DATA SEQUENCE GPPRREVPIL LRQTSFKALE ETVLFAGQKQ GTHTARFGEI EQRGVALTPK DATA SEQUENCE GRQLYDDLLR NAXXXXXXXX HQXHLQETFR TFPDSEFLXR QQGLAWFRYR DATA SEQUENCE LTPSGEAHRQ AIHPGDDPQP LIERGWVVAQ PITYEDFLPV SXXXXXXXXX DATA SEQUENCE XXXXXXXXXX NASREAFEQA LGCPVLDEFQ LYQEAEERSK RRCGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.599 177.584 0.026 0.000 1.274 2 A CA 0.000 52.050 52.037 0.021 0.000 0.836 2 A CB 0.000 19.014 19.000 0.024 0.000 0.831 3 N N 1.374 120.092 118.700 0.030 0.000 2.518 3 N HA 0.324 5.064 4.740 -0.000 0.000 0.266 3 N C 0.225 175.764 175.510 0.048 0.000 1.196 3 N CA 0.568 53.639 53.050 0.035 0.000 0.947 3 N CB 1.131 39.639 38.487 0.036 0.000 1.098 3 N HN 0.780 nan 8.380 nan 0.000 0.450 4 S N 1.946 117.675 115.700 0.048 0.000 2.404 4 S HA 0.224 4.694 4.470 -0.000 0.000 0.309 4 S C 0.778 175.427 174.600 0.082 0.000 1.076 4 S CA -1.059 57.181 58.200 0.066 0.000 1.095 4 S CB 0.252 63.477 63.200 0.041 0.000 0.972 4 S HN 0.456 nan 8.310 nan 0.000 0.484 5 I N 1.260 121.896 120.570 0.110 0.000 2.710 5 I HA 0.196 4.366 4.170 -0.000 0.000 0.286 5 I C 0.470 176.656 176.117 0.116 0.000 1.181 5 I CA 0.236 61.603 61.300 0.111 0.000 1.430 5 I CB -0.424 37.654 38.000 0.130 0.000 1.367 5 I HN 0.588 nan 8.210 nan 0.000 0.577 6 T N 4.223 118.834 114.554 0.094 0.000 2.788 6 T HA 0.504 4.854 4.350 -0.000 0.000 0.287 6 T C 1.282 176.039 174.700 0.095 0.000 1.007 6 T CA 0.298 62.450 62.100 0.088 0.000 1.005 6 T CB 1.033 69.945 68.868 0.072 0.000 1.012 6 T HN 0.851 nan 8.240 nan 0.000 0.530 7 A N 1.648 124.519 122.820 0.084 0.000 1.897 7 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 7 A C 1.976 179.610 177.584 0.084 0.000 1.181 7 A CA 1.558 53.638 52.037 0.072 0.000 0.620 7 A CB -0.745 18.290 19.000 0.059 0.000 0.821 7 A HN 0.865 nan 8.150 nan 0.000 0.443 8 D N -0.256 120.193 120.400 0.082 0.000 2.182 8 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 8 D C 1.790 178.143 176.300 0.088 0.000 0.986 8 D CA 1.415 55.465 54.000 0.084 0.000 0.847 8 D CB -0.243 40.600 40.800 0.072 0.000 0.942 8 D HN 0.680 nan 8.370 nan 0.000 0.467 9 E N -0.398 119.855 120.200 0.088 0.000 2.112 9 E HA -0.023 4.327 4.350 -0.000 0.000 0.190 9 E C 2.203 178.870 176.600 0.112 0.000 0.979 9 E CA 0.278 56.732 56.400 0.090 0.000 0.814 9 E CB 0.147 29.898 29.700 0.086 0.000 0.762 9 E HN 0.261 nan 8.360 nan 0.000 0.460 10 I N 0.334 120.985 120.570 0.134 0.000 2.286 10 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 10 I C 2.668 178.900 176.117 0.192 0.000 1.104 10 I CA 0.644 62.052 61.300 0.180 0.000 1.397 10 I CB -0.214 37.910 38.000 0.207 0.000 1.072 10 I HN 0.030 nan 8.210 nan 0.000 0.417 11 R N 1.577 122.176 120.500 0.166 0.000 2.083 11 R HA -0.228 4.111 4.340 -0.000 0.000 0.237 11 R C 2.267 178.648 176.300 0.135 0.000 1.137 11 R CA 2.163 58.381 56.100 0.196 0.000 0.951 11 R CB -0.219 30.194 30.300 0.189 0.000 0.851 11 R HN 0.548 nan 8.270 nan 0.000 0.434 12 E N -0.067 120.188 120.200 0.091 0.000 2.152 12 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 12 E C 1.742 178.348 176.600 0.010 0.000 0.983 12 E CA 0.936 57.355 56.400 0.032 0.000 0.818 12 E CB -0.166 29.560 29.700 0.044 0.000 0.758 12 E HN 0.504 nan 8.360 nan 0.000 0.467 13 Q N -0.262 119.576 119.800 0.064 0.000 2.123 13 Q HA -0.089 4.251 4.340 -0.000 0.000 0.199 13 Q C 1.945 177.978 176.000 0.054 0.000 0.966 13 Q CA 1.284 57.122 55.803 0.058 0.000 0.845 13 Q CB -0.200 28.594 28.738 0.094 0.000 0.907 13 Q HN 0.294 nan 8.270 nan 0.000 0.439 14 F N 1.197 121.106 119.950 -0.069 0.000 2.075 14 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 14 F C 2.609 178.238 175.800 -0.284 0.000 1.113 14 F CA 1.680 59.613 58.000 -0.113 0.000 1.218 14 F CB -0.717 38.255 39.000 -0.047 0.000 0.984 14 F HN -0.047 nan 8.300 nan 0.000 0.472 15 S N -0.228 115.178 115.700 -0.490 0.000 2.368 15 S HA -0.376 4.094 4.470 -0.000 0.000 0.226 15 S C 2.150 176.455 174.600 -0.491 0.000 1.044 15 S CA 1.990 59.646 58.200 -0.907 0.000 1.062 15 S CB -0.724 62.019 63.200 -0.762 0.000 0.931 15 S HN 0.619 nan 8.310 nan 0.000 0.440 16 Q N 1.559 121.201 119.800 -0.264 0.000 2.084 16 Q HA 0.212 4.551 4.340 -0.000 0.000 0.202 16 Q C 0.995 176.911 176.000 -0.140 0.000 0.978 16 Q CA 1.419 57.138 55.803 -0.141 0.000 0.844 16 Q CB -1.018 27.679 28.738 -0.069 0.000 0.898 16 Q HN 0.666 nan 8.270 nan 0.000 0.426 23 Q N 0.745 120.579 119.800 0.057 0.000 2.084 23 Q HA -0.280 4.060 4.340 -0.000 0.000 0.202 23 Q C 1.707 177.682 176.000 -0.042 0.000 0.978 23 Q CA 2.241 58.100 55.803 0.094 0.000 0.844 23 Q CB 0.037 28.890 28.738 0.191 0.000 0.898 23 Q HN 0.493 nan 8.270 nan 0.000 0.426 24 Q N 0.439 120.217 119.800 -0.037 0.000 2.297 24 Q HA -0.111 4.228 4.340 -0.000 0.000 0.204 24 Q C 1.199 177.136 176.000 -0.104 0.000 0.962 24 Q CA 1.415 57.185 55.803 -0.054 0.000 0.879 24 Q CB 0.229 28.951 28.738 -0.027 0.000 0.947 24 Q HN 0.429 nan 8.270 nan 0.000 0.462 25 E N -1.644 118.461 120.200 -0.157 0.000 2.086 25 E HA 0.060 4.410 4.350 -0.000 0.000 0.190 25 E C -0.510 175.885 176.600 -0.342 0.000 0.975 25 E CA 0.691 56.955 56.400 -0.226 0.000 0.813 25 E CB 0.751 30.329 29.700 -0.204 0.000 0.768 25 E HN -0.011 nan 8.360 nan 0.000 0.457 26 V N 2.375 122.017 119.914 -0.453 0.000 2.320 26 V HA 0.123 4.243 4.120 -0.000 0.000 0.268 26 V C -2.111 173.836 176.094 -0.245 0.000 1.021 26 V CA -1.070 60.961 62.300 -0.448 0.000 0.813 26 V CB 1.164 32.526 31.823 -0.768 0.000 1.054 26 V HN 0.051 nan 8.190 nan 0.000 0.444 27 P HA -0.238 nan 4.420 nan 0.000 0.216 27 P C 1.724 179.007 177.300 -0.028 0.000 1.157 27 P CA 1.259 64.317 63.100 -0.071 0.000 0.880 27 P CB 0.349 32.005 31.700 -0.072 0.000 0.791 28 Q N -1.854 117.938 119.800 -0.014 0.000 2.268 28 Q HA -0.261 4.079 4.340 -0.000 0.000 0.210 28 Q C 1.991 178.056 176.000 0.108 0.000 0.988 28 Q CA 1.418 57.250 55.803 0.048 0.000 0.883 28 Q CB -0.723 28.084 28.738 0.115 0.000 0.911 28 Q HN 0.261 nan 8.270 nan 0.000 0.430 29 Y N -0.710 119.574 120.300 -0.027 0.000 2.314 29 Y HA 0.011 4.561 4.550 -0.000 0.000 0.293 29 Y C 1.874 177.788 175.900 0.023 0.000 1.129 29 Y CA 1.525 59.648 58.100 0.040 0.000 1.201 29 Y CB -0.578 37.855 38.460 -0.045 0.000 0.999 29 Y HN 0.123 nan 8.280 nan 0.000 0.541 30 G N -0.783 107.969 108.800 -0.080 0.000 2.433 30 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 30 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 30 G C 1.666 176.470 174.900 -0.160 0.000 1.186 30 G CA 1.455 46.465 45.100 -0.151 0.000 0.779 30 G HN 0.402 nan 8.290 nan 0.000 0.543 31 T N 1.309 115.802 114.554 -0.101 0.000 2.684 31 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 31 T C 2.269 176.895 174.700 -0.123 0.000 1.036 31 T CA 1.310 63.352 62.100 -0.095 0.000 1.148 31 T CB -0.346 68.479 68.868 -0.072 0.000 0.863 31 T HN 0.136 nan 8.240 nan 0.000 0.436 32 L N 1.080 122.228 121.223 -0.125 0.000 2.013 32 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 32 L C 2.197 178.967 176.870 -0.167 0.000 1.073 32 L CA 1.672 56.432 54.840 -0.132 0.000 0.753 32 L CB -0.758 41.284 42.059 -0.028 0.000 0.890 32 L HN 0.274 nan 8.230 nan 0.000 0.432 33 L N -0.780 120.283 121.223 -0.268 0.000 2.012 33 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 33 L C 2.572 179.357 176.870 -0.142 0.000 1.073 33 L CA 1.826 56.523 54.840 -0.239 0.000 0.748 33 L CB -0.789 41.074 42.059 -0.327 0.000 0.891 33 L HN 0.390 nan 8.230 nan 0.000 0.431 34 E N 0.029 120.153 120.200 -0.127 0.000 2.058 34 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 34 E C 2.115 178.668 176.600 -0.079 0.000 0.997 34 E CA 1.346 57.693 56.400 -0.089 0.000 0.801 34 E CB -0.292 29.361 29.700 -0.080 0.000 0.746 34 E HN 0.244 nan 8.360 nan 0.000 0.450 35 L N 0.920 122.090 121.223 -0.088 0.000 2.079 35 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 35 L C 2.200 179.027 176.870 -0.071 0.000 1.081 35 L CA 1.418 56.210 54.840 -0.081 0.000 0.752 35 L CB -0.320 41.679 42.059 -0.099 0.000 0.896 35 L HN -0.049 nan 8.230 nan 0.000 0.433 36 V N -0.235 119.635 119.914 -0.074 0.000 2.379 36 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 36 V C 2.764 178.832 176.094 -0.044 0.000 1.044 36 V CA 1.393 63.659 62.300 -0.056 0.000 1.036 36 V CB -1.094 30.697 31.823 -0.053 0.000 0.664 36 V HN 0.604 nan 8.190 nan 0.000 0.453 37 A N 0.037 122.828 122.820 -0.049 0.000 1.883 37 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 37 A C 2.018 179.584 177.584 -0.030 0.000 1.186 37 A CA 2.083 54.098 52.037 -0.036 0.000 0.624 37 A CB -0.658 18.318 19.000 -0.040 0.000 0.822 37 A HN 0.545 nan 8.150 nan 0.000 0.444 38 D N -0.154 120.224 120.400 -0.038 0.000 2.092 38 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 38 D C 2.117 178.400 176.300 -0.029 0.000 0.994 38 D CA 1.689 55.669 54.000 -0.034 0.000 0.828 38 D CB -0.625 40.151 40.800 -0.039 0.000 0.963 38 D HN 0.215 nan 8.370 nan 0.000 0.450 39 V N 2.028 121.922 119.914 -0.033 0.000 2.392 39 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 39 V C 2.018 178.100 176.094 -0.019 0.000 1.059 39 V CA 1.490 63.772 62.300 -0.029 0.000 1.051 39 V CB -0.472 31.330 31.823 -0.034 0.000 0.658 39 V HN 0.151 nan 8.190 nan 0.000 0.455 40 N N -0.006 118.685 118.700 -0.016 0.000 2.188 40 N HA -0.092 4.648 4.740 -0.000 0.000 0.184 40 N C 1.777 177.292 175.510 0.008 0.000 1.018 40 N CA 1.188 54.237 53.050 -0.002 0.000 0.858 40 N CB -0.373 38.114 38.487 -0.000 0.000 0.989 40 N HN 0.457 nan 8.380 nan 0.000 0.426 41 L N 0.798 122.021 121.223 -0.001 0.000 1.994 41 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 41 L C 2.185 179.049 176.870 -0.010 0.000 1.071 41 L CA 1.423 56.263 54.840 -0.001 0.000 0.745 41 L CB -0.416 41.636 42.059 -0.011 0.000 0.892 41 L HN 0.105 nan 8.230 nan 0.000 0.431 42 A N -0.499 122.312 122.820 -0.015 0.000 1.873 42 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 42 A C 2.197 179.774 177.584 -0.012 0.000 1.193 42 A CA 2.209 54.235 52.037 -0.019 0.000 0.629 42 A CB -1.228 17.759 19.000 -0.020 0.000 0.826 42 A HN 0.341 nan 8.150 nan 0.000 0.447 43 V N 0.077 119.988 119.914 -0.005 0.000 2.380 43 V HA -0.297 3.823 4.120 -0.000 0.000 0.251 43 V C 2.552 178.656 176.094 0.017 0.000 1.063 43 V CA 2.107 64.409 62.300 0.003 0.000 1.055 43 V CB -0.739 31.087 31.823 0.004 0.000 0.657 43 V HN 0.559 nan 8.190 nan 0.000 0.455 44 L N -0.332 120.907 121.223 0.028 0.000 2.072 44 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 44 L C 2.641 179.499 176.870 -0.021 0.000 1.079 44 L CA 1.712 56.585 54.840 0.056 0.000 0.752 44 L CB -0.610 41.523 42.059 0.124 0.000 0.906 44 L HN 0.386 nan 8.230 nan 0.000 0.436 45 E N 1.231 121.403 120.200 -0.046 0.000 2.038 45 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 45 E C 1.708 178.285 176.600 -0.040 0.000 1.000 45 E CA 1.960 58.321 56.400 -0.064 0.000 0.803 45 E CB -0.232 29.437 29.700 -0.051 0.000 0.750 45 E HN 0.306 nan 8.360 nan 0.000 0.448 46 N N 0.083 118.770 118.700 -0.021 0.000 2.520 46 N HA -0.019 4.721 4.740 -0.000 0.000 0.185 46 N C -0.754 174.754 175.510 -0.003 0.000 1.068 46 N CA 0.849 53.892 53.050 -0.013 0.000 0.911 46 N CB 0.029 38.510 38.487 -0.010 0.000 0.961 46 N HN 0.211 nan 8.380 nan 0.000 0.446 47 N N -0.826 117.877 118.700 0.005 0.000 2.640 47 N HA 0.148 4.887 4.740 -0.000 0.000 0.262 47 N C -2.268 173.268 175.510 0.044 0.000 1.174 47 N CA -1.100 51.964 53.050 0.022 0.000 0.791 47 N CB 2.273 40.776 38.487 0.028 0.000 1.279 47 N HN -0.037 nan 8.380 nan 0.000 0.535 48 P HA -0.177 nan 4.420 nan 0.000 0.217 48 P C 0.604 177.961 177.300 0.094 0.000 1.151 48 P CA 1.377 64.506 63.100 0.048 0.000 0.828 48 P CB 0.549 32.258 31.700 0.015 0.000 0.788 49 Q N 0.407 120.245 119.800 0.063 0.000 2.020 49 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 49 Q C 2.540 178.580 176.000 0.067 0.000 0.982 49 Q CA 1.049 56.888 55.803 0.059 0.000 0.838 49 Q CB -1.626 27.136 28.738 0.040 0.000 0.899 49 Q HN 0.175 nan 8.270 nan 0.000 0.423 50 L N 0.027 121.288 121.223 0.064 0.000 1.997 50 L HA -0.352 3.987 4.340 -0.000 0.000 0.216 50 L C 2.480 179.391 176.870 0.068 0.000 1.074 50 L CA 2.190 57.063 54.840 0.056 0.000 0.763 50 L CB -0.320 41.770 42.059 0.052 0.000 0.890 50 L HN 0.404 nan 8.230 nan 0.000 0.434 51 H N -0.439 118.636 119.070 0.007 0.000 2.422 51 H HA -0.201 4.355 4.556 -0.000 0.000 0.298 51 H C 2.082 177.416 175.328 0.011 0.000 1.098 51 H CA 2.214 58.267 56.048 0.007 0.000 1.315 51 H CB 0.119 29.884 29.762 0.005 0.000 1.382 51 H HN 0.516 nan 8.280 nan 0.000 0.523 52 E N 0.474 120.725 120.200 0.085 0.000 2.015 52 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 52 E C 0.853 177.445 176.600 -0.013 0.000 0.991 52 E CA 0.479 56.902 56.400 0.038 0.000 0.802 52 E CB 0.096 29.834 29.700 0.063 0.000 0.759 52 E HN 0.406 nan 8.360 nan 0.000 0.447 56 N N 1.683 120.361 118.700 -0.037 0.000 2.453 56 N HA 0.085 4.825 4.740 -0.000 0.000 0.183 56 N C 1.153 176.664 175.510 0.002 0.000 1.041 56 N CA 1.342 54.388 53.050 -0.006 0.000 0.900 56 N CB 0.037 38.529 38.487 0.008 0.000 0.961 56 N HN 0.647 nan 8.380 nan 0.000 0.443 57 A N -0.210 122.606 122.820 -0.007 0.000 2.574 57 A HA 0.245 4.565 4.320 -0.000 0.000 0.283 57 A C -0.244 177.340 177.584 0.001 0.000 1.270 57 A CA -0.354 51.686 52.037 0.005 0.000 0.945 57 A CB -0.145 18.860 19.000 0.008 0.000 1.127 57 A HN 0.198 nan 8.150 nan 0.000 0.522 58 D N 0.349 120.745 120.400 -0.007 0.000 2.733 58 D HA -0.223 4.416 4.640 -0.000 0.000 0.232 58 D C 0.823 177.120 176.300 -0.005 0.000 1.161 58 D CA 1.401 55.398 54.000 -0.005 0.000 0.653 58 D CB -0.654 40.151 40.800 0.008 0.000 1.052 58 D HN 0.896 nan 8.370 nan 0.000 0.424 59 E N -0.537 119.653 120.200 -0.017 0.000 2.538 59 E HA 0.134 4.484 4.350 -0.000 0.000 0.207 59 E C 1.469 178.057 176.600 -0.021 0.000 1.002 59 E CA -0.316 56.077 56.400 -0.012 0.000 0.952 59 E CB 0.221 29.915 29.700 -0.010 0.000 1.031 59 E HN 0.505 nan 8.360 nan 0.000 0.476 60 L N 0.353 121.554 121.223 -0.037 0.000 2.249 60 L HA 0.241 4.581 4.340 -0.000 0.000 0.207 60 L C 2.347 179.209 176.870 -0.013 0.000 1.090 60 L CA 1.085 55.901 54.840 -0.041 0.000 0.802 60 L CB 0.022 42.026 42.059 -0.091 0.000 0.947 60 L HN 0.214 nan 8.230 nan 0.000 0.453 61 A N 1.445 124.261 122.820 -0.007 0.000 1.858 61 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 61 A C 2.239 179.831 177.584 0.014 0.000 1.190 61 A CA 1.828 53.869 52.037 0.007 0.000 0.617 61 A CB -0.620 18.386 19.000 0.010 0.000 0.827 61 A HN 0.636 nan 8.150 nan 0.000 0.443 62 R N -0.382 120.128 120.500 0.016 0.000 2.127 62 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 62 R C 1.701 178.015 176.300 0.024 0.000 1.134 62 R CA 1.580 57.695 56.100 0.025 0.000 0.975 62 R CB -1.006 29.311 30.300 0.028 0.000 0.865 62 R HN 0.366 nan 8.270 nan 0.000 0.447 63 L N 1.518 122.750 121.223 0.014 0.000 2.261 63 L HA -0.100 4.240 4.340 -0.000 0.000 0.216 63 L C 1.034 177.913 176.870 0.014 0.000 1.114 63 L CA 1.687 56.534 54.840 0.012 0.000 0.777 63 L CB -0.571 41.491 42.059 0.005 0.000 0.910 63 L HN 0.320 nan 8.230 nan 0.000 0.440 64 N N -0.947 117.763 118.700 0.016 0.000 2.424 64 N HA -0.013 4.727 4.740 -0.000 0.000 0.178 64 N C 1.474 176.995 175.510 0.019 0.000 1.060 64 N CA 1.361 54.419 53.050 0.014 0.000 0.901 64 N CB 0.530 39.024 38.487 0.013 0.000 0.979 64 N HN 0.518 nan 8.380 nan 0.000 0.451 65 V N -2.167 117.764 119.914 0.029 0.000 3.604 65 V HA 0.243 4.363 4.120 -0.000 0.000 0.277 65 V C 0.660 176.791 176.094 0.062 0.000 1.399 65 V CA -0.217 62.105 62.300 0.037 0.000 1.034 65 V CB -0.123 31.720 31.823 0.033 0.000 0.824 65 V HN -0.082 nan 8.190 nan 0.000 0.439 66 E N 1.705 121.943 120.200 0.064 0.000 2.480 66 E HA 0.366 4.716 4.350 -0.000 0.000 0.258 66 E C -0.216 176.447 176.600 0.104 0.000 0.984 66 E CA 0.331 56.783 56.400 0.087 0.000 0.930 66 E CB 0.357 30.089 29.700 0.052 0.000 0.936 66 E HN 0.572 nan 8.360 nan 0.000 0.466 67 R N 1.646 122.251 120.500 0.176 0.000 2.692 67 R HA 0.318 4.658 4.340 -0.000 0.000 0.269 67 R C -1.259 175.215 176.300 0.291 0.000 1.030 67 R CA -0.745 55.469 56.100 0.190 0.000 0.882 67 R CB 1.437 31.879 30.300 0.235 0.000 1.250 67 R HN 0.705 nan 8.270 nan 0.000 0.465 68 H N -0.996 118.185 119.070 0.186 0.000 2.768 68 H HA 0.773 5.329 4.556 -0.000 0.000 0.371 68 H C -0.910 174.450 175.328 0.053 0.000 1.151 68 H CA -1.417 54.677 56.048 0.076 0.000 1.165 68 H CB 2.369 32.239 29.762 0.182 0.000 1.722 68 H HN 0.686 nan 8.280 nan 0.000 0.543 69 G N 0.172 109.031 108.800 0.099 0.000 2.489 69 G HA2 0.615 4.575 3.960 -0.000 0.000 0.327 69 G HA3 0.615 4.575 3.960 -0.000 0.000 0.327 69 G C -1.332 173.486 174.900 -0.137 0.000 1.189 69 G CA -0.599 44.503 45.100 0.002 0.000 0.962 69 G HN 0.831 nan 8.290 nan 0.000 0.486 70 A N 0.598 123.252 122.820 -0.278 0.000 2.385 70 A HA 0.717 5.037 4.320 -0.000 0.000 0.290 70 A C -0.459 177.060 177.584 -0.108 0.000 1.094 70 A CA -0.595 51.245 52.037 -0.328 0.000 0.729 70 A CB 0.540 18.975 19.000 -0.942 0.000 1.194 70 A HN 1.286 nan 8.150 nan 0.000 0.442 71 I N -1.053 119.539 120.570 0.037 0.000 2.828 71 I HA 0.846 5.016 4.170 -0.000 0.000 0.302 71 I C -0.603 175.598 176.117 0.141 0.000 1.101 71 I CA -1.180 60.205 61.300 0.141 0.000 1.031 71 I CB 2.358 40.516 38.000 0.264 0.000 1.231 71 I HN 0.544 nan 8.210 nan 0.000 0.427 72 R N 3.319 123.898 120.500 0.131 0.000 2.621 72 R HA 0.803 5.143 4.340 -0.000 0.000 0.292 72 R C -1.118 175.228 176.300 0.078 0.000 0.969 72 R CA -0.863 55.300 56.100 0.106 0.000 0.887 72 R CB 2.660 33.019 30.300 0.100 0.000 1.180 72 R HN 0.682 nan 8.270 nan 0.000 0.450 73 V N -1.388 118.578 119.914 0.087 0.000 3.040 73 V HA 0.771 4.891 4.120 -0.000 0.000 0.312 73 V C 0.464 176.591 176.094 0.054 0.000 1.115 73 V CA -0.676 61.657 62.300 0.055 0.000 0.998 73 V CB 1.969 33.837 31.823 0.074 0.000 1.042 73 V HN 0.853 nan 8.190 nan 0.000 0.433 74 G N 0.638 109.453 108.800 0.025 0.000 3.159 74 G HA2 0.469 4.429 3.960 -0.000 0.000 0.232 74 G HA3 0.469 4.429 3.960 -0.000 0.000 0.232 74 G C 0.438 175.356 174.900 0.030 0.000 1.116 74 G CA 0.664 45.781 45.100 0.028 0.000 0.767 74 G HN 1.278 nan 8.290 nan 0.000 0.547 75 T N -4.009 110.563 114.554 0.031 0.000 2.916 75 T HA 0.620 4.970 4.350 -0.000 0.000 0.305 75 T C 1.186 175.902 174.700 0.025 0.000 1.119 75 T CA 0.366 62.483 62.100 0.027 0.000 1.008 75 T CB 1.783 70.661 68.868 0.017 0.000 1.129 75 T HN 0.205 nan 8.240 nan 0.000 0.480 76 A N 1.779 124.605 122.820 0.009 0.000 1.917 76 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 76 A C 2.150 179.731 177.584 -0.004 0.000 1.182 76 A CA 2.213 54.237 52.037 -0.023 0.000 0.633 76 A CB -1.094 17.889 19.000 -0.029 0.000 0.819 76 A HN 0.914 nan 8.150 nan 0.000 0.448 77 Q N -0.080 119.730 119.800 0.017 0.000 2.014 77 Q HA -0.218 4.122 4.340 -0.000 0.000 0.207 77 Q C 1.927 177.977 176.000 0.083 0.000 0.993 77 Q CA 2.050 57.874 55.803 0.036 0.000 0.850 77 Q CB -0.428 28.336 28.738 0.042 0.000 0.916 77 Q HN 0.791 nan 8.270 nan 0.000 0.417 78 E N 0.066 120.338 120.200 0.120 0.000 2.130 78 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 78 E C 1.798 178.519 176.600 0.202 0.000 0.998 78 E CA 1.055 57.589 56.400 0.224 0.000 0.806 78 E CB -0.203 29.551 29.700 0.090 0.000 0.738 78 E HN 0.180 nan 8.360 nan 0.000 0.459 79 L N 0.217 121.503 121.223 0.105 0.000 2.217 79 L HA -0.017 4.323 4.340 -0.000 0.000 0.211 79 L C 1.972 178.883 176.870 0.068 0.000 1.107 79 L CA 1.611 56.508 54.840 0.095 0.000 0.783 79 L CB -0.279 41.779 42.059 -0.003 0.000 0.919 79 L HN 0.021 nan 8.230 nan 0.000 0.442 80 A N -1.738 121.093 122.820 0.018 0.000 1.935 80 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 80 A C 2.184 179.720 177.584 -0.079 0.000 1.178 80 A CA 1.575 53.603 52.037 -0.015 0.000 0.640 80 A CB -0.922 18.063 19.000 -0.026 0.000 0.825 80 A HN 0.436 nan 8.150 nan 0.000 0.447 81 T N 0.938 115.417 114.554 -0.125 0.000 2.746 81 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 81 T C 1.789 176.249 174.700 -0.401 0.000 1.039 81 T CA 1.498 63.388 62.100 -0.350 0.000 1.142 81 T CB -0.427 68.007 68.868 -0.724 0.000 0.866 81 T HN 0.357 nan 8.240 nan 0.000 0.444 82 L N 0.601 121.667 121.223 -0.261 0.000 2.083 82 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 82 L C 2.976 179.500 176.870 -0.576 0.000 1.083 82 L CA 1.134 55.708 54.840 -0.444 0.000 0.752 82 L CB -0.555 41.416 42.059 -0.147 0.000 0.899 82 L HN 0.143 nan 8.230 nan 0.000 0.433 83 R N 0.760 121.097 120.500 -0.271 0.000 2.096 83 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 83 R C 1.174 177.386 176.300 -0.148 0.000 1.127 83 R CA 0.815 56.837 56.100 -0.131 0.000 0.968 83 R CB 0.075 30.451 30.300 0.126 0.000 0.861 83 R HN 0.335 nan 8.270 nan 0.000 0.440 87 A N 0.998 123.741 122.820 -0.128 0.000 1.930 87 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 87 A C 1.347 178.825 177.584 -0.176 0.000 1.175 87 A CA 0.890 52.850 52.037 -0.129 0.000 0.627 87 A CB -0.668 18.351 19.000 0.031 0.000 0.815 87 A HN 0.247 nan 8.150 nan 0.000 0.443 93 P HA 0.120 nan 4.420 nan 0.000 0.261 93 P C -0.694 176.557 177.300 -0.082 0.000 1.203 93 P CA 0.415 63.392 63.100 -0.205 0.000 0.767 93 P CB 0.878 32.476 31.700 -0.170 0.000 0.785 94 V N 3.299 123.137 119.914 -0.126 0.000 2.448 94 V HA 0.402 4.522 4.120 -0.000 0.000 0.295 94 V C 0.691 176.735 176.094 -0.084 0.000 1.025 94 V CA -0.245 62.009 62.300 -0.077 0.000 0.859 94 V CB 0.981 32.762 31.823 -0.069 0.000 0.988 94 V HN 0.932 nan 8.190 nan 0.000 0.431 95 S N 3.213 118.849 115.700 -0.107 0.000 3.795 95 S HA -0.229 4.241 4.470 -0.000 0.000 0.682 95 S C -1.127 173.342 174.600 -0.219 0.000 1.792 95 S CA 0.453 58.543 58.200 -0.182 0.000 1.892 95 S CB -0.351 62.674 63.200 -0.291 0.000 0.343 95 S HN 1.450 nan 8.310 nan 0.000 1.341 96 Y N 1.669 121.667 120.300 -0.502 0.000 2.406 96 Y HA 0.676 5.226 4.550 -0.000 0.000 0.340 96 Y C -1.285 174.260 175.900 -0.593 0.000 0.975 96 Y CA -0.811 56.979 58.100 -0.516 0.000 1.056 96 Y CB 1.152 39.397 38.460 -0.359 0.000 1.210 96 Y HN 0.610 nan 8.280 nan 0.000 0.448 97 Y N 4.284 123.994 120.300 -0.983 0.000 2.338 97 Y HA 0.288 4.837 4.550 -0.000 0.000 0.333 97 Y C -0.496 174.890 175.900 -0.856 0.000 0.968 97 Y CA -1.220 56.485 58.100 -0.658 0.000 1.123 97 Y CB 1.487 39.788 38.460 -0.264 0.000 1.165 97 Y HN 0.552 nan 8.280 nan 0.000 0.452 98 D N 4.065 124.194 120.400 -0.452 0.000 2.557 98 D HA 0.140 4.779 4.640 -0.000 0.000 0.236 98 D C 0.527 176.812 176.300 -0.025 0.000 1.154 98 D CA -0.037 53.829 54.000 -0.223 0.000 0.985 98 D CB 0.498 41.276 40.800 -0.038 0.000 1.010 98 D HN 0.477 nan 8.370 nan 0.000 0.516 99 L N 1.819 123.046 121.223 0.007 0.000 2.642 99 L HA -0.104 4.236 4.340 -0.000 0.000 0.236 99 L C 2.168 179.062 176.870 0.041 0.000 1.169 99 L CA 0.802 55.671 54.840 0.048 0.000 0.851 99 L CB -1.563 40.538 42.059 0.071 0.000 0.968 99 L HN 0.350 nan 8.230 nan 0.000 0.453 100 S N -1.023 114.695 115.700 0.030 0.000 2.414 100 S HA -0.204 4.266 4.470 -0.000 0.000 0.227 100 S C 1.769 176.389 174.600 0.034 0.000 1.022 100 S CA 0.369 58.582 58.200 0.021 0.000 0.958 100 S CB -0.155 63.046 63.200 0.002 0.000 0.797 100 S HN 0.324 nan 8.310 nan 0.000 0.493 101 Q N 0.975 120.801 119.800 0.043 0.000 2.576 101 Q HA 0.230 4.570 4.340 -0.000 0.000 0.218 101 Q C 1.193 177.222 176.000 0.048 0.000 0.983 101 Q CA 1.050 56.883 55.803 0.049 0.000 0.920 101 Q CB -0.323 28.450 28.738 0.059 0.000 0.973 101 Q HN 0.788 nan 8.270 nan 0.000 0.528 102 A N -2.491 120.358 122.820 0.048 0.000 2.624 102 A HA 0.574 4.894 4.320 -0.000 0.000 0.287 102 A C 1.144 178.760 177.584 0.052 0.000 1.087 102 A CA 0.306 52.371 52.037 0.048 0.000 0.964 102 A CB 0.145 19.175 19.000 0.050 0.000 1.231 102 A HN 0.327 nan 8.150 nan 0.000 0.551 103 G N -0.972 107.860 108.800 0.053 0.000 2.268 103 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.240 103 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.240 103 G C 0.300 175.254 174.900 0.089 0.000 1.010 103 G CA 0.089 45.232 45.100 0.071 0.000 0.618 103 G HN 1.008 nan 8.290 nan 0.000 0.516 104 V N 3.263 123.219 119.914 0.070 0.000 2.470 104 V HA 0.360 4.480 4.120 -0.000 0.000 0.276 104 V C -0.805 175.269 176.094 -0.033 0.000 1.040 104 V CA -0.542 61.777 62.300 0.032 0.000 1.008 104 V CB 1.223 33.078 31.823 0.054 0.000 0.990 104 V HN 0.282 nan 8.190 nan 0.000 0.477 105 P HA 0.102 nan 4.420 nan 0.000 0.262 105 P C -0.387 176.877 177.300 -0.061 0.000 1.647 105 P CA 0.512 63.546 63.100 -0.110 0.000 0.865 105 P CB -0.043 31.547 31.700 -0.183 0.000 1.834 106 V N -2.040 117.869 119.914 -0.008 0.000 3.232 106 V HA 0.758 4.878 4.120 -0.000 0.000 0.303 106 V C -1.460 174.726 176.094 0.152 0.000 1.311 106 V CA -1.045 61.307 62.300 0.087 0.000 1.061 106 V CB 2.609 34.492 31.823 0.100 0.000 1.085 106 V HN 0.386 nan 8.190 nan 0.000 0.447 107 H N 0.030 119.120 119.070 0.033 0.000 3.016 107 H HA 0.951 5.507 4.556 -0.000 0.000 0.362 107 H C -0.658 174.551 175.328 -0.198 0.000 1.233 107 H CA -0.559 55.431 56.048 -0.098 0.000 1.124 107 H CB 1.211 30.970 29.762 -0.005 0.000 1.850 107 H HN 1.440 nan 8.280 nan 0.000 0.549 108 S N -0.016 115.326 115.700 -0.597 0.000 2.703 108 S HA 0.651 5.121 4.470 -0.000 0.000 0.273 108 S C -0.716 173.368 174.600 -0.861 0.000 1.178 108 S CA -0.402 57.346 58.200 -0.753 0.000 0.838 108 S CB 2.293 65.050 63.200 -0.738 0.000 1.178 108 S HN 1.045 nan 8.310 nan 0.000 0.494 109 T N -0.895 113.264 114.554 -0.659 0.000 2.804 109 T HA 0.790 5.140 4.350 -0.000 0.000 0.290 109 T C -1.821 172.557 174.700 -0.537 0.000 1.099 109 T CA -0.198 61.633 62.100 -0.450 0.000 1.011 109 T CB 1.417 70.089 68.868 -0.326 0.000 1.291 109 T HN 1.590 nan 8.240 nan 0.000 0.523 110 A N 1.766 124.390 122.820 -0.328 0.000 2.332 110 A HA 0.730 5.049 4.320 -0.000 0.000 0.300 110 A C -1.139 176.277 177.584 -0.279 0.000 1.153 110 A CA -0.575 51.327 52.037 -0.224 0.000 0.764 110 A CB 0.155 19.261 19.000 0.177 0.000 1.174 110 A HN 0.663 nan 8.150 nan 0.000 0.467 111 F N 2.873 122.705 119.950 -0.196 0.000 2.444 111 F HA 0.563 5.090 4.527 -0.000 0.000 0.360 111 F C 1.180 176.800 175.800 -0.300 0.000 1.106 111 F CA 0.505 58.344 58.000 -0.268 0.000 1.170 111 F CB 0.947 39.626 39.000 -0.536 0.000 1.113 111 F HN 0.760 nan 8.300 nan 0.000 0.521 112 R N 3.106 123.590 120.500 -0.026 0.000 2.716 112 R HA 0.630 4.970 4.340 -0.000 0.000 0.271 112 R C -3.484 172.803 176.300 -0.020 0.000 1.028 112 R CA -2.217 53.849 56.100 -0.056 0.000 0.883 112 R CB 1.236 31.507 30.300 -0.048 0.000 1.250 112 R HN 0.147 nan 8.270 nan 0.000 0.465 113 P HA 0.159 nan 4.420 nan 0.000 0.272 113 P C 0.059 177.397 177.300 0.064 0.000 1.230 113 P CA -0.438 62.690 63.100 0.046 0.000 0.788 113 P CB 0.518 32.249 31.700 0.051 0.000 0.949 114 I N -2.241 118.397 120.570 0.112 0.000 4.557 114 I HA 0.318 4.488 4.170 -0.000 0.000 0.333 114 I C -0.198 175.927 176.117 0.013 0.000 1.332 114 I CA -0.177 61.147 61.300 0.040 0.000 1.240 114 I CB 0.358 38.391 38.000 0.055 0.000 1.312 114 I HN 0.134 nan 8.210 nan 0.000 0.457 115 D N 1.036 121.464 120.400 0.048 0.000 2.193 115 D HA 0.125 4.765 4.640 -0.000 0.000 0.249 115 D C 0.593 176.910 176.300 0.027 0.000 1.034 115 D CA -0.313 53.704 54.000 0.029 0.000 0.902 115 D CB 1.279 42.106 40.800 0.045 0.000 1.182 115 D HN -0.030 nan 8.370 nan 0.000 0.436 116 D N 2.303 122.716 120.400 0.021 0.000 2.133 116 D HA -0.237 4.403 4.640 -0.000 0.000 0.195 116 D C 1.897 178.217 176.300 0.034 0.000 0.997 116 D CA 1.936 55.952 54.000 0.028 0.000 0.840 116 D CB -0.455 40.363 40.800 0.030 0.000 0.947 116 D HN 0.602 nan 8.370 nan 0.000 0.452 117 A N 0.454 123.295 122.820 0.036 0.000 1.969 117 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 117 A C 2.479 180.090 177.584 0.044 0.000 1.169 117 A CA 1.477 53.537 52.037 0.038 0.000 0.635 117 A CB -0.354 18.669 19.000 0.037 0.000 0.810 117 A HN 0.131 nan 8.150 nan 0.000 0.445 118 S N -0.216 115.514 115.700 0.051 0.000 2.368 118 S HA -0.036 4.434 4.470 -0.000 0.000 0.224 118 S C 1.827 176.461 174.600 0.058 0.000 1.029 118 S CA 1.207 59.443 58.200 0.060 0.000 0.988 118 S CB -0.390 62.853 63.200 0.071 0.000 0.838 118 S HN 0.518 nan 8.310 nan 0.000 0.462 119 L N 1.093 122.345 121.223 0.048 0.000 2.017 119 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 119 L C 2.789 179.686 176.870 0.043 0.000 1.073 119 L CA 1.321 56.188 54.840 0.044 0.000 0.745 119 L CB -0.675 41.403 42.059 0.033 0.000 0.894 119 L HN 0.316 nan 8.230 nan 0.000 0.432 120 A N -0.122 122.721 122.820 0.039 0.000 1.933 120 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 120 A C 2.417 180.023 177.584 0.037 0.000 1.175 120 A CA 1.826 53.883 52.037 0.034 0.000 0.628 120 A CB -0.542 18.476 19.000 0.030 0.000 0.814 120 A HN 0.368 nan 8.150 nan 0.000 0.444 121 R N -0.951 119.575 120.500 0.043 0.000 2.057 121 R HA -0.055 4.285 4.340 -0.000 0.000 0.229 121 R C -0.028 176.303 176.300 0.052 0.000 1.136 121 R CA 1.471 57.598 56.100 0.045 0.000 0.952 121 R CB 0.057 30.386 30.300 0.048 0.000 0.848 121 R HN 0.503 nan 8.270 nan 0.000 0.430 122 N N -0.716 118.024 118.700 0.066 0.000 2.752 122 N HA 0.097 4.837 4.740 -0.000 0.000 0.268 122 N C -2.735 172.844 175.510 0.114 0.000 1.190 122 N CA -1.207 51.895 53.050 0.085 0.000 0.897 122 N CB 2.231 40.770 38.487 0.086 0.000 1.515 122 N HN 0.008 nan 8.380 nan 0.000 0.567 123 P HA 0.123 nan 4.420 nan 0.000 0.244 123 P C 0.138 177.540 177.300 0.171 0.000 1.632 123 P CA -0.330 62.836 63.100 0.111 0.000 0.944 123 P CB -0.708 31.030 31.700 0.064 0.000 1.569 124 F N 2.552 122.529 119.950 0.046 0.000 2.623 124 F HA -0.031 4.496 4.527 -0.000 0.000 0.381 124 F C 0.666 176.493 175.800 0.044 0.000 1.081 124 F CA 0.489 58.525 58.000 0.060 0.000 1.293 124 F CB 0.327 39.378 39.000 0.085 0.000 1.006 124 F HN -0.002 nan 8.300 nan 0.000 0.578 125 R N 3.251 123.419 120.500 -0.554 0.000 2.771 125 R HA 0.737 5.077 4.340 -0.000 0.000 0.274 125 R C -1.781 174.092 176.300 -0.712 0.000 0.987 125 R CA -1.176 54.649 56.100 -0.459 0.000 0.908 125 R CB 2.400 32.667 30.300 -0.056 0.000 1.213 125 R HN 0.389 nan 8.270 nan 0.000 0.468 126 V N 2.865 122.468 119.914 -0.519 0.000 2.462 126 V HA 0.233 4.353 4.120 -0.000 0.000 0.288 126 V C -0.953 175.029 176.094 -0.187 0.000 1.020 126 V CA -0.719 61.338 62.300 -0.405 0.000 0.857 126 V CB 1.349 32.864 31.823 -0.513 0.000 1.013 126 V HN 0.621 nan 8.190 nan 0.000 0.431 127 F N 4.154 123.857 119.950 -0.411 0.000 2.533 127 F HA 0.394 4.921 4.527 -0.000 0.000 0.378 127 F C 0.711 176.347 175.800 -0.273 0.000 1.070 127 F CA 0.751 58.422 58.000 -0.548 0.000 1.172 127 F CB 0.632 39.051 39.000 -0.969 0.000 1.085 127 F HN 0.463 nan 8.300 nan 0.000 0.552 128 T N 5.121 119.440 114.554 -0.391 0.000 2.772 128 T HA 0.319 4.669 4.350 -0.000 0.000 0.288 128 T C -0.464 174.114 174.700 -0.203 0.000 0.994 128 T CA -0.606 61.444 62.100 -0.084 0.000 0.951 128 T CB 1.083 70.137 68.868 0.310 0.000 0.933 128 T HN 0.490 nan 8.240 nan 0.000 0.447 129 S N 2.651 118.314 115.700 -0.061 0.000 2.475 129 S HA 0.605 5.075 4.470 -0.000 0.000 0.298 129 S C -0.702 173.979 174.600 0.136 0.000 1.119 129 S CA -0.713 57.484 58.200 -0.005 0.000 1.085 129 S CB 0.894 64.116 63.200 0.035 0.000 1.028 129 S HN 0.572 nan 8.310 nan 0.000 0.489 130 L N 4.683 126.048 121.223 0.237 0.000 2.296 130 L HA 0.602 4.942 4.340 -0.000 0.000 0.286 130 L C -0.770 176.274 176.870 0.290 0.000 1.023 130 L CA -0.655 54.345 54.840 0.267 0.000 0.812 130 L CB 0.913 43.153 42.059 0.301 0.000 1.223 130 L HN 0.570 nan 8.230 nan 0.000 0.421 131 L N 5.619 126.941 121.223 0.166 0.000 2.456 131 L HA 0.316 4.656 4.340 -0.000 0.000 0.272 131 L C 0.028 176.955 176.870 0.095 0.000 1.189 131 L CA 0.661 55.562 54.840 0.101 0.000 0.846 131 L CB 0.221 42.310 42.059 0.050 0.000 1.111 131 L HN 0.648 nan 8.230 nan 0.000 0.475 132 R N 5.816 126.329 120.500 0.023 0.000 2.423 132 R HA 0.252 4.592 4.340 -0.000 0.000 0.293 132 R C 0.949 177.232 176.300 -0.028 0.000 1.196 132 R CA -0.368 55.714 56.100 -0.029 0.000 1.262 132 R CB 0.469 30.680 30.300 -0.149 0.000 1.116 132 R HN 0.763 nan 8.270 nan 0.000 0.566 133 L N 1.886 123.105 121.223 -0.007 0.000 2.129 133 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 133 L C 2.435 179.297 176.870 -0.013 0.000 1.087 133 L CA 1.396 56.230 54.840 -0.010 0.000 0.757 133 L CB -0.232 41.827 42.059 -0.001 0.000 0.896 133 L HN 0.623 nan 8.230 nan 0.000 0.434 134 E N 0.316 120.508 120.200 -0.014 0.000 2.515 134 E HA -0.186 4.164 4.350 -0.000 0.000 0.201 134 E C 1.313 177.904 176.600 -0.015 0.000 1.071 134 E CA 0.845 57.238 56.400 -0.012 0.000 0.880 134 E CB -0.004 29.690 29.700 -0.009 0.000 0.828 134 E HN 0.370 nan 8.360 nan 0.000 0.540 135 L N 1.204 122.413 121.223 -0.024 0.000 2.818 135 L HA 0.340 4.680 4.340 -0.000 0.000 0.243 135 L C 0.292 177.152 176.870 -0.016 0.000 1.185 135 L CA -0.018 54.809 54.840 -0.022 0.000 0.988 135 L CB 0.205 42.241 42.059 -0.038 0.000 1.292 135 L HN 0.074 nan 8.230 nan 0.000 0.519 136 I N -0.294 120.269 120.570 -0.012 0.000 2.307 136 I HA 0.132 4.302 4.170 -0.000 0.000 0.289 136 I C 1.129 177.248 176.117 0.005 0.000 1.021 136 I CA -0.496 60.801 61.300 -0.004 0.000 1.224 136 I CB 1.231 39.227 38.000 -0.008 0.000 1.376 136 I HN 0.109 nan 8.210 nan 0.000 0.470 137 E N 3.920 124.128 120.200 0.014 0.000 2.002 137 E HA -0.223 4.127 4.350 -0.000 0.000 0.213 137 E C 0.872 177.478 176.600 0.009 0.000 1.024 137 E CA 1.164 57.572 56.400 0.013 0.000 0.876 137 E CB -0.431 29.280 29.700 0.019 0.000 0.799 137 E HN 0.599 nan 8.360 nan 0.000 0.497 138 N N 2.440 121.146 118.700 0.010 0.000 2.332 138 N HA -0.142 4.598 4.740 -0.000 0.000 0.274 138 N C 0.790 176.303 175.510 0.004 0.000 1.351 138 N CA 0.365 53.419 53.050 0.007 0.000 0.875 138 N CB 0.574 39.065 38.487 0.007 0.000 1.140 138 N HN 0.123 nan 8.380 nan 0.000 0.489 139 E N 3.371 123.573 120.200 0.003 0.000 2.150 139 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 139 E C 1.466 178.066 176.600 -0.000 0.000 0.985 139 E CA 0.714 57.115 56.400 0.001 0.000 0.814 139 E CB 0.183 29.884 29.700 0.001 0.000 0.752 139 E HN 0.662 nan 8.360 nan 0.000 0.466 140 I N 0.760 121.330 120.570 -0.000 0.000 2.226 140 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 140 I C 2.344 178.460 176.117 -0.003 0.000 1.100 140 I CA 0.921 62.220 61.300 -0.002 0.000 1.374 140 I CB -0.315 37.684 38.000 -0.002 0.000 1.057 140 I HN 0.067 nan 8.210 nan 0.000 0.413 141 L N -0.411 120.811 121.223 -0.002 0.000 2.072 141 L HA -0.143 4.196 4.340 -0.000 0.000 0.205 141 L C 2.662 179.529 176.870 -0.005 0.000 1.079 141 L CA 1.109 55.947 54.840 -0.004 0.000 0.752 141 L CB -0.675 41.383 42.059 -0.001 0.000 0.906 141 L HN 0.201 nan 8.230 nan 0.000 0.436 142 R N 0.237 120.735 120.500 -0.003 0.000 2.127 142 R HA -0.249 4.091 4.340 -0.000 0.000 0.238 142 R C 2.281 178.578 176.300 -0.005 0.000 1.134 142 R CA 1.594 57.691 56.100 -0.004 0.000 0.975 142 R CB -0.060 30.238 30.300 -0.003 0.000 0.865 142 R HN 0.233 nan 8.270 nan 0.000 0.447 143 Q N 0.806 120.603 119.800 -0.004 0.000 2.016 143 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 143 Q C 1.886 177.882 176.000 -0.007 0.000 0.978 143 Q CA 2.010 57.810 55.803 -0.005 0.000 0.833 143 Q CB -0.071 28.665 28.738 -0.004 0.000 0.895 143 Q HN 0.255 nan 8.270 nan 0.000 0.427 144 K N -0.751 119.644 120.400 -0.008 0.000 2.032 144 K HA -0.157 4.162 4.320 -0.000 0.000 0.209 144 K C 1.915 178.507 176.600 -0.013 0.000 1.048 144 K CA 1.196 57.477 56.287 -0.011 0.000 0.927 144 K CB -0.297 32.196 32.500 -0.011 0.000 0.712 144 K HN 0.247 nan 8.250 nan 0.000 0.441 145 A N 1.192 124.005 122.820 -0.013 0.000 1.873 145 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 145 A C 2.351 179.928 177.584 -0.012 0.000 1.193 145 A CA 2.340 54.369 52.037 -0.014 0.000 0.629 145 A CB -1.077 17.916 19.000 -0.012 0.000 0.826 145 A HN 0.501 nan 8.150 nan 0.000 0.447 146 A N -0.645 122.169 122.820 -0.009 0.000 1.908 146 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 146 A C 2.094 179.673 177.584 -0.009 0.000 1.181 146 A CA 1.997 54.030 52.037 -0.007 0.000 0.627 146 A CB -0.629 18.368 19.000 -0.004 0.000 0.818 146 A HN 0.709 nan 8.150 nan 0.000 0.445 147 E N -0.158 120.036 120.200 -0.011 0.000 2.051 147 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 147 E C 1.952 178.542 176.600 -0.016 0.000 0.991 147 E CA 1.531 57.923 56.400 -0.012 0.000 0.799 147 E CB -0.247 29.446 29.700 -0.012 0.000 0.748 147 E HN 0.674 nan 8.360 nan 0.000 0.449 148 I N 0.635 121.193 120.570 -0.019 0.000 2.226 148 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 148 I C 2.423 178.522 176.117 -0.031 0.000 1.100 148 I CA 0.545 61.829 61.300 -0.026 0.000 1.374 148 I CB -0.203 37.779 38.000 -0.029 0.000 1.057 148 I HN 0.184 nan 8.210 nan 0.000 0.413 149 L N 1.007 122.214 121.223 -0.026 0.000 2.046 149 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 149 L C 2.678 179.534 176.870 -0.024 0.000 1.077 149 L CA 1.848 56.671 54.840 -0.027 0.000 0.747 149 L CB -0.792 41.257 42.059 -0.017 0.000 0.896 149 L HN 0.304 nan 8.230 nan 0.000 0.432 150 R N -1.146 119.344 120.500 -0.017 0.000 2.193 150 R HA -0.056 4.283 4.340 -0.000 0.000 0.213 150 R C 1.493 177.783 176.300 -0.016 0.000 1.055 150 R CA 0.795 56.887 56.100 -0.012 0.000 0.995 150 R CB -0.424 29.872 30.300 -0.007 0.000 0.893 150 R HN 0.411 nan 8.270 nan 0.000 0.459 151 Q N 1.288 121.075 119.800 -0.021 0.000 2.280 151 Q HA 0.096 4.436 4.340 -0.000 0.000 0.201 151 Q C -0.128 175.853 176.000 -0.032 0.000 0.890 151 Q CA -0.118 55.672 55.803 -0.023 0.000 0.947 151 Q CB 0.628 29.353 28.738 -0.021 0.000 1.081 151 Q HN 0.382 nan 8.270 nan 0.000 0.502 152 R N -0.284 120.191 120.500 -0.041 0.000 2.828 152 R HA 0.539 4.879 4.340 -0.000 0.000 0.264 152 R C -1.151 175.108 176.300 -0.069 0.000 1.022 152 R CA -0.711 55.352 56.100 -0.061 0.000 1.021 152 R CB 1.158 31.412 30.300 -0.077 0.000 1.163 152 R HN -0.291 nan 8.270 nan 0.000 0.494 153 D N 1.852 122.196 120.400 -0.093 0.000 2.479 153 D HA 0.166 4.806 4.640 -0.000 0.000 0.246 153 D C 0.599 176.778 176.300 -0.201 0.000 1.336 153 D CA -0.793 53.144 54.000 -0.106 0.000 0.967 153 D CB 1.360 42.134 40.800 -0.043 0.000 1.275 153 D HN 0.716 nan 8.370 nan 0.000 0.577 154 I N -0.486 119.850 120.570 -0.389 0.000 3.059 154 I HA 0.281 4.451 4.170 -0.000 0.000 0.270 154 I C -0.241 175.477 176.117 -0.664 0.000 1.238 154 I CA 0.161 61.117 61.300 -0.573 0.000 1.478 154 I CB -0.133 37.423 38.000 -0.741 0.000 1.097 154 I HN -0.019 nan 8.210 nan 0.000 0.455 155 F N 2.499 122.378 119.950 -0.119 0.000 2.377 155 F HA 0.406 4.933 4.527 -0.000 0.000 0.328 155 F C 1.170 176.919 175.800 -0.086 0.000 1.094 155 F CA -1.058 56.868 58.000 -0.124 0.000 1.093 155 F CB 0.897 39.833 39.000 -0.106 0.000 1.214 155 F HN -0.083 nan 8.300 nan 0.000 0.518 156 T N -0.609 114.010 114.554 0.109 0.000 2.910 156 T HA 0.238 4.588 4.350 -0.000 0.000 0.293 156 T C -2.121 172.620 174.700 0.069 0.000 1.015 156 T CA -1.633 60.498 62.100 0.052 0.000 1.094 156 T CB 1.402 70.288 68.868 0.030 0.000 0.968 156 T HN 0.262 nan 8.240 nan 0.000 0.521 157 P HA -0.110 nan 4.420 nan 0.000 0.215 157 P C 1.703 179.031 177.300 0.046 0.000 1.157 157 P CA 0.704 63.830 63.100 0.043 0.000 0.868 157 P CB 0.063 31.780 31.700 0.027 0.000 0.788 158 R N -0.454 120.071 120.500 0.042 0.000 2.159 158 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 158 R C 2.146 178.489 176.300 0.070 0.000 1.131 158 R CA 1.461 57.589 56.100 0.047 0.000 0.982 158 R CB -1.677 28.644 30.300 0.035 0.000 0.868 158 R HN 0.222 nan 8.270 nan 0.000 0.453 159 C N 0.025 119.369 119.300 0.073 0.000 2.466 159 C HA 0.086 4.546 4.460 -0.000 0.000 0.278 159 C C 2.317 177.359 174.990 0.087 0.000 1.288 159 C CA 0.609 59.685 59.018 0.096 0.000 1.722 159 C CB -0.621 27.160 27.740 0.069 0.000 2.017 159 C HN 0.537 nan 8.230 nan 0.000 0.488 160 R N 0.128 120.657 120.500 0.048 0.000 2.115 160 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 160 R C 2.385 178.707 176.300 0.038 0.000 1.100 160 R CA 1.247 57.350 56.100 0.005 0.000 0.980 160 R CB -0.445 29.859 30.300 0.007 0.000 0.875 160 R HN 0.678 nan 8.270 nan 0.000 0.445 161 Q N 0.826 120.662 119.800 0.060 0.000 2.050 161 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 161 Q C 2.240 178.308 176.000 0.113 0.000 0.980 161 Q CA 1.297 57.140 55.803 0.068 0.000 0.840 161 Q CB -0.141 28.632 28.738 0.059 0.000 0.898 161 Q HN 0.345 nan 8.270 nan 0.000 0.424 162 L N 0.353 121.675 121.223 0.165 0.000 2.131 162 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 162 L C 2.236 179.305 176.870 0.332 0.000 1.092 162 L CA 0.784 55.805 54.840 0.302 0.000 0.759 162 L CB -0.316 41.954 42.059 0.351 0.000 0.903 162 L HN 0.263 nan 8.230 nan 0.000 0.435 163 L N -0.953 120.368 121.223 0.163 0.000 2.141 163 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 163 L C 2.610 179.502 176.870 0.037 0.000 1.094 163 L CA 1.014 55.870 54.840 0.027 0.000 0.763 163 L CB -0.442 41.584 42.059 -0.054 0.000 0.908 163 L HN 0.309 nan 8.230 nan 0.000 0.437 164 E N 0.392 120.623 120.200 0.052 0.000 2.016 164 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 164 E C 2.027 178.654 176.600 0.045 0.000 0.985 164 E CA 1.086 57.504 56.400 0.031 0.000 0.802 164 E CB 0.054 29.770 29.700 0.026 0.000 0.762 164 E HN 0.500 nan 8.360 nan 0.000 0.448 165 E N -0.127 120.133 120.200 0.100 0.000 2.130 165 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 165 E C 1.940 178.579 176.600 0.066 0.000 0.998 165 E CA 1.237 57.705 56.400 0.112 0.000 0.806 165 E CB -0.269 29.550 29.700 0.199 0.000 0.738 165 E HN 0.276 nan 8.360 nan 0.000 0.459 166 Y N 1.539 121.790 120.300 -0.082 0.000 2.181 166 Y HA -0.251 4.299 4.550 -0.000 0.000 0.288 166 Y C 2.248 177.984 175.900 -0.273 0.000 1.146 166 Y CA 1.823 59.672 58.100 -0.417 0.000 1.164 166 Y CB 0.059 37.988 38.460 -0.885 0.000 0.982 166 Y HN -0.057 nan 8.280 nan 0.000 0.515 167 E N 0.140 120.269 120.200 -0.118 0.000 2.051 167 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 167 E C 2.150 178.652 176.600 -0.163 0.000 0.991 167 E CA 1.829 58.153 56.400 -0.127 0.000 0.799 167 E CB -0.207 29.463 29.700 -0.050 0.000 0.748 167 E HN 0.632 nan 8.360 nan 0.000 0.449 168 Q N -0.100 119.629 119.800 -0.117 0.000 1.948 168 Q HA -0.231 4.109 4.340 -0.000 0.000 0.205 168 Q C 2.290 178.206 176.000 -0.139 0.000 0.992 168 Q CA 1.969 57.713 55.803 -0.097 0.000 0.849 168 Q CB -0.343 28.363 28.738 -0.053 0.000 0.918 168 Q HN 0.406 nan 8.270 nan 0.000 0.421 169 Q N -0.499 119.202 119.800 -0.166 0.000 2.291 169 Q HA 0.016 4.356 4.340 -0.000 0.000 0.205 169 Q C 1.141 176.961 176.000 -0.300 0.000 0.970 169 Q CA 0.604 56.297 55.803 -0.183 0.000 0.876 169 Q CB 0.067 28.726 28.738 -0.132 0.000 0.935 169 Q HN 0.614 nan 8.270 nan 0.000 0.455 170 G N 0.335 108.843 108.800 -0.487 0.000 2.168 170 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.257 170 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.257 170 G C 0.236 174.669 174.900 -0.779 0.000 0.997 170 G CA 0.167 44.908 45.100 -0.597 0.000 0.708 170 G HN 0.723 nan 8.290 nan 0.000 0.520 171 G N -1.956 106.301 108.800 -0.905 0.000 2.523 171 G HA2 0.611 4.571 3.960 -0.000 0.000 0.291 171 G HA3 0.611 4.571 3.960 -0.000 0.000 0.291 171 G C -1.123 173.647 174.900 -0.215 0.000 1.450 171 G CA -0.818 43.965 45.100 -0.530 0.000 0.790 171 G HN 0.458 nan 8.290 nan 0.000 0.496 172 F N 0.498 120.483 119.950 0.058 0.000 2.598 172 F HA 0.499 5.025 4.527 -0.000 0.000 0.327 172 F C 0.609 176.433 175.800 0.041 0.000 1.057 172 F CA -1.159 56.891 58.000 0.082 0.000 0.957 172 F CB 2.643 41.714 39.000 0.118 0.000 1.278 172 F HN 0.688 nan 8.300 nan 0.000 0.484 173 N N 0.256 119.087 118.700 0.218 0.000 2.459 173 N HA 0.153 4.893 4.740 -0.000 0.000 0.288 173 N C 0.246 175.793 175.510 0.061 0.000 1.186 173 N CA -0.689 52.424 53.050 0.105 0.000 0.917 173 N CB 1.736 40.260 38.487 0.062 0.000 1.219 173 N HN 0.499 nan 8.380 nan 0.000 0.525 174 E N 0.353 120.583 120.200 0.050 0.000 2.114 174 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 174 E C 1.861 178.464 176.600 0.005 0.000 1.008 174 E CA 2.103 58.524 56.400 0.035 0.000 0.810 174 E CB -0.573 29.148 29.700 0.034 0.000 0.739 174 E HN 0.852 nan 8.360 nan 0.000 0.456 175 T N -1.453 113.095 114.554 -0.010 0.000 2.904 175 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 175 T C 1.740 176.393 174.700 -0.077 0.000 1.059 175 T CA 1.368 63.451 62.100 -0.027 0.000 1.137 175 T CB 0.005 68.863 68.868 -0.018 0.000 0.879 175 T HN 0.155 nan 8.240 nan 0.000 0.467 176 Q N 0.210 119.923 119.800 -0.145 0.000 2.212 176 Q HA 0.353 4.693 4.340 -0.000 0.000 0.199 176 Q C 2.754 178.469 176.000 -0.475 0.000 0.950 176 Q CA 0.902 56.492 55.803 -0.354 0.000 0.863 176 Q CB -0.225 28.205 28.738 -0.512 0.000 0.944 176 Q HN 0.684 nan 8.270 nan 0.000 0.465 177 A N 0.926 123.596 122.820 -0.250 0.000 1.902 177 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 177 A C 2.002 179.615 177.584 0.048 0.000 1.181 177 A CA 1.585 53.591 52.037 -0.052 0.000 0.623 177 A CB -0.424 18.631 19.000 0.092 0.000 0.818 177 A HN 0.276 nan 8.150 nan 0.000 0.443 178 Q N -0.518 119.291 119.800 0.015 0.000 1.993 178 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 178 Q C 2.097 178.116 176.000 0.033 0.000 0.984 178 Q CA 2.083 57.909 55.803 0.038 0.000 0.837 178 Q CB -0.233 28.517 28.738 0.019 0.000 0.902 178 Q HN 0.784 nan 8.270 nan 0.000 0.423 179 E N -0.770 119.424 120.200 -0.009 0.000 2.097 179 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 179 E C 1.697 178.313 176.600 0.026 0.000 1.000 179 E CA 1.323 57.718 56.400 -0.008 0.000 0.804 179 E CB -0.282 29.392 29.700 -0.043 0.000 0.740 179 E HN 0.426 nan 8.360 nan 0.000 0.454 180 F N 0.689 120.543 119.950 -0.160 0.000 2.102 180 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 180 F C 2.019 177.835 175.800 0.026 0.000 1.105 180 F CA 1.353 59.295 58.000 -0.096 0.000 1.239 180 F CB -0.499 38.419 39.000 -0.137 0.000 0.991 180 F HN -0.099 nan 8.300 nan 0.000 0.474 181 V N 0.475 120.404 119.914 0.025 0.000 2.392 181 V HA -0.291 3.828 4.120 -0.000 0.000 0.249 181 V C 2.430 178.555 176.094 0.052 0.000 1.059 181 V CA 2.011 64.336 62.300 0.042 0.000 1.051 181 V CB -0.650 31.276 31.823 0.171 0.000 0.658 181 V HN 0.389 nan 8.190 nan 0.000 0.455 182 Q N -0.802 119.014 119.800 0.027 0.000 2.137 182 Q HA -0.086 4.254 4.340 -0.000 0.000 0.198 182 Q C 2.303 178.314 176.000 0.017 0.000 0.960 182 Q CA 0.926 56.750 55.803 0.034 0.000 0.847 182 Q CB -0.217 28.537 28.738 0.028 0.000 0.915 182 Q HN 0.603 nan 8.270 nan 0.000 0.448 183 E N 0.636 120.821 120.200 -0.024 0.000 2.152 183 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 183 E C 1.791 178.359 176.600 -0.054 0.000 0.983 183 E CA 0.934 57.319 56.400 -0.026 0.000 0.818 183 E CB -0.006 29.687 29.700 -0.012 0.000 0.758 183 E HN 0.268 nan 8.360 nan 0.000 0.467 184 A N 0.998 123.726 122.820 -0.154 0.000 1.929 184 A HA -0.098 4.221 4.320 -0.000 0.000 0.216 184 A C 2.216 179.927 177.584 0.212 0.000 1.176 184 A CA 0.699 52.668 52.037 -0.115 0.000 0.628 184 A CB -0.498 18.226 19.000 -0.461 0.000 0.816 184 A HN 0.205 nan 8.150 nan 0.000 0.444 185 L N -0.186 121.220 121.223 0.306 0.000 2.187 185 L HA -0.149 4.191 4.340 -0.000 0.000 0.213 185 L C 2.052 179.058 176.870 0.226 0.000 1.100 185 L CA 1.743 56.808 54.840 0.375 0.000 0.765 185 L CB -0.329 41.836 42.059 0.177 0.000 0.904 185 L HN 0.297 nan 8.230 nan 0.000 0.437 186 E N -0.950 119.304 120.200 0.089 0.000 2.268 186 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 186 E C 2.046 178.620 176.600 -0.043 0.000 0.995 186 E CA 1.347 57.772 56.400 0.042 0.000 0.836 186 E CB -0.328 29.390 29.700 0.029 0.000 0.763 186 E HN 0.508 nan 8.360 nan 0.000 0.491 187 T N 0.049 114.461 114.554 -0.236 0.000 2.995 187 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 187 T C 1.155 175.527 174.700 -0.547 0.000 1.091 187 T CA 0.690 62.482 62.100 -0.512 0.000 1.128 187 T CB -0.188 68.185 68.868 -0.826 0.000 0.891 187 T HN 0.152 nan 8.240 nan 0.000 0.492 188 F N 0.426 120.441 119.950 0.107 0.000 2.695 188 F HA 0.383 4.910 4.527 -0.000 0.000 0.303 188 F C 1.151 177.040 175.800 0.147 0.000 1.091 188 F CA -0.937 57.142 58.000 0.132 0.000 1.300 188 F CB -0.047 39.050 39.000 0.163 0.000 1.071 188 F HN -0.141 nan 8.300 nan 0.000 0.578 189 R N 1.064 121.696 120.500 0.220 0.000 2.784 189 R HA -0.066 4.274 4.340 -0.000 0.000 0.266 189 R C -0.453 175.934 176.300 0.145 0.000 1.044 189 R CA -0.190 55.997 56.100 0.145 0.000 1.151 189 R CB 0.398 30.712 30.300 0.022 0.000 1.037 189 R HN 0.332 nan 8.270 nan 0.000 0.478 190 W N 3.700 124.949 121.300 -0.084 0.000 2.469 190 W HA 0.257 4.917 4.660 -0.000 0.000 0.320 190 W C -1.304 175.069 176.519 -0.243 0.000 1.086 190 W CA -0.475 56.827 57.345 -0.072 0.000 1.211 190 W CB 0.868 30.267 29.460 -0.102 0.000 1.298 190 W HN 0.709 nan 8.180 nan 0.000 0.525 191 H N 3.049 121.857 119.070 -0.436 0.000 2.690 191 H HA 0.168 4.723 4.556 -0.000 0.000 0.368 191 H C 0.943 176.130 175.328 -0.235 0.000 1.150 191 H CA -0.422 55.527 56.048 -0.165 0.000 1.174 191 H CB 2.802 32.511 29.762 -0.089 0.000 1.684 191 H HN 0.380 nan 8.280 nan 0.000 0.538 192 Q N 1.304 121.209 119.800 0.175 0.000 2.163 192 Q HA 0.118 4.458 4.340 -0.000 0.000 0.198 192 Q C 0.127 176.185 176.000 0.097 0.000 0.954 192 Q CA 0.349 56.272 55.803 0.200 0.000 0.851 192 Q CB 0.454 29.297 28.738 0.175 0.000 0.928 192 Q HN 0.506 nan 8.270 nan 0.000 0.459 193 L N 2.123 123.373 121.223 0.045 0.000 2.562 193 L HA 0.035 4.375 4.340 -0.000 0.000 0.271 193 L C -0.018 176.776 176.870 -0.127 0.000 1.167 193 L CA -0.660 54.140 54.840 -0.067 0.000 0.917 193 L CB 0.277 42.308 42.059 -0.047 0.000 1.187 193 L HN 0.152 nan 8.230 nan 0.000 0.482 194 A N 2.838 125.464 122.820 -0.324 0.000 2.332 194 A HA 0.323 4.643 4.320 -0.000 0.000 0.258 194 A C 1.020 178.477 177.584 -0.212 0.000 1.087 194 A CA -0.022 51.741 52.037 -0.456 0.000 0.802 194 A CB 0.417 19.067 19.000 -0.584 0.000 1.042 194 A HN 0.808 nan 8.150 nan 0.000 0.489 195 T N -1.487 112.950 114.554 -0.195 0.000 3.206 195 T HA 0.394 4.744 4.350 -0.000 0.000 0.253 195 T C 0.335 175.015 174.700 -0.033 0.000 1.042 195 T CA 0.409 62.449 62.100 -0.100 0.000 0.931 195 T CB -1.545 67.258 68.868 -0.108 0.000 1.029 195 T HN 1.480 nan 8.240 nan 0.000 0.564 196 V N -1.733 118.202 119.914 0.035 0.000 3.156 196 V HA 0.790 4.910 4.120 -0.000 0.000 0.310 196 V C -1.270 174.924 176.094 0.168 0.000 1.234 196 V CA -1.570 60.778 62.300 0.081 0.000 1.065 196 V CB 1.583 33.452 31.823 0.077 0.000 1.088 196 V HN 0.330 nan 8.190 nan 0.000 0.451 197 D N -0.881 119.549 120.400 0.050 0.000 2.354 197 D HA 0.250 4.890 4.640 -0.000 0.000 0.247 197 D C 0.874 176.974 176.300 -0.333 0.000 1.138 197 D CA 0.075 54.032 54.000 -0.072 0.000 0.958 197 D CB 1.218 41.968 40.800 -0.082 0.000 1.144 197 D HN 0.875 nan 8.370 nan 0.000 0.458 198 E N -0.068 119.624 120.200 -0.847 0.000 2.110 198 E HA -0.329 4.021 4.350 -0.000 0.000 0.193 198 E C 1.596 177.943 176.600 -0.422 0.000 0.988 198 E CA 1.133 56.793 56.400 -1.234 0.000 0.804 198 E CB 0.054 29.063 29.700 -1.152 0.000 0.745 198 E HN 0.686 nan 8.360 nan 0.000 0.458 199 E N -0.497 119.549 120.200 -0.257 0.000 2.085 199 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 199 E C 1.830 178.396 176.600 -0.056 0.000 0.994 199 E CA 1.881 58.211 56.400 -0.118 0.000 0.801 199 E CB 0.007 29.652 29.700 -0.091 0.000 0.743 199 E HN 0.254 nan 8.360 nan 0.000 0.453 200 T N -0.106 114.419 114.554 -0.049 0.000 2.821 200 T HA -0.173 4.176 4.350 -0.000 0.000 0.267 200 T C 1.424 176.143 174.700 0.032 0.000 1.046 200 T CA 1.298 63.394 62.100 -0.006 0.000 1.139 200 T CB -0.480 68.387 68.868 -0.001 0.000 0.871 200 T HN 0.323 nan 8.240 nan 0.000 0.454 201 Y N 2.251 122.524 120.300 -0.045 0.000 2.114 201 Y HA -0.126 4.424 4.550 -0.000 0.000 0.284 201 Y C 2.560 178.505 175.900 0.075 0.000 1.143 201 Y CA 1.308 59.437 58.100 0.047 0.000 1.135 201 Y CB -0.153 38.403 38.460 0.160 0.000 0.980 201 Y HN -0.020 nan 8.280 nan 0.000 0.499 202 R N -0.118 120.522 120.500 0.233 0.000 2.105 202 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 202 R C 2.441 178.804 176.300 0.105 0.000 1.135 202 R CA 1.214 57.422 56.100 0.180 0.000 0.967 202 R CB -0.702 29.654 30.300 0.094 0.000 0.861 202 R HN 0.460 nan 8.270 nan 0.000 0.442 203 A N 1.167 124.016 122.820 0.048 0.000 1.873 203 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 203 A C 2.200 179.791 177.584 0.012 0.000 1.186 203 A CA 1.025 53.077 52.037 0.025 0.000 0.616 203 A CB -0.439 18.565 19.000 0.007 0.000 0.823 203 A HN 0.153 nan 8.150 nan 0.000 0.442 204 L N -1.715 119.499 121.223 -0.016 0.000 2.056 204 L HA -0.167 4.172 4.340 -0.000 0.000 0.207 204 L C 2.634 179.485 176.870 -0.033 0.000 1.078 204 L CA 1.722 56.540 54.840 -0.038 0.000 0.749 204 L CB -0.673 41.338 42.059 -0.080 0.000 0.901 204 L HN 0.623 nan 8.230 nan 0.000 0.433 205 H N 0.284 119.256 119.070 -0.163 0.000 2.352 205 H HA -0.222 4.334 4.556 -0.000 0.000 0.299 205 H C 2.215 177.537 175.328 -0.011 0.000 1.097 205 H CA 2.087 58.069 56.048 -0.111 0.000 1.311 205 H CB -0.041 29.651 29.762 -0.116 0.000 1.377 205 H HN 0.229 nan 8.280 nan 0.000 0.504 206 N N 0.339 119.062 118.700 0.038 0.000 2.166 206 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 206 N C 1.910 177.395 175.510 -0.041 0.000 1.019 206 N CA 1.533 54.583 53.050 -0.001 0.000 0.856 206 N CB -0.116 38.401 38.487 0.049 0.000 0.993 206 N HN 0.496 nan 8.380 nan 0.000 0.426 207 E N -0.201 119.990 120.200 -0.014 0.000 2.077 207 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 207 E C -0.176 176.455 176.600 0.051 0.000 0.989 207 E CA 1.277 57.685 56.400 0.014 0.000 0.800 207 E CB 0.023 29.739 29.700 0.025 0.000 0.746 207 E HN 0.381 nan 8.360 nan 0.000 0.452 208 H N -1.727 117.278 119.070 -0.109 0.000 3.098 208 H HA 0.099 4.655 4.556 -0.000 0.000 0.293 208 H C 0.353 175.583 175.328 -0.162 0.000 1.231 208 H CA 0.258 56.234 56.048 -0.119 0.000 1.592 208 H CB 0.370 30.101 29.762 -0.053 0.000 2.251 208 H HN 0.138 nan 8.280 nan 0.000 0.415 209 R N 3.395 123.847 120.500 -0.080 0.000 2.119 209 R HA -0.157 4.183 4.340 -0.000 0.000 0.246 209 R C 1.736 178.180 176.300 0.241 0.000 1.146 209 R CA 1.917 57.998 56.100 -0.032 0.000 0.962 209 R CB -0.352 29.944 30.300 -0.006 0.000 0.863 209 R HN 0.404 nan 8.270 nan 0.000 0.442 210 L N 0.973 122.428 121.223 0.387 0.000 2.042 210 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 210 L C 2.456 179.389 176.870 0.105 0.000 1.076 210 L CA 1.447 56.404 54.840 0.193 0.000 0.749 210 L CB -0.140 41.941 42.059 0.038 0.000 0.893 210 L HN 0.258 nan 8.230 nan 0.000 0.432 211 I N -0.104 120.496 120.570 0.051 0.000 2.163 211 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 211 I C 2.748 178.884 176.117 0.033 0.000 1.085 211 I CA 1.260 62.570 61.300 0.015 0.000 1.347 211 I CB -0.666 37.332 38.000 -0.003 0.000 1.044 211 I HN 0.326 nan 8.210 nan 0.000 0.408 212 A N 0.227 123.064 122.820 0.028 0.000 1.930 212 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 212 A C 1.971 179.643 177.584 0.148 0.000 1.175 212 A CA 2.181 54.185 52.037 -0.055 0.000 0.627 212 A CB -0.698 18.138 19.000 -0.274 0.000 0.815 212 A HN 0.432 nan 8.150 nan 0.000 0.443 213 D N -0.375 120.195 120.400 0.282 0.000 2.104 213 D HA -0.131 4.508 4.640 -0.000 0.000 0.194 213 D C 1.762 178.253 176.300 0.319 0.000 0.994 213 D CA 1.744 56.006 54.000 0.437 0.000 0.830 213 D CB -0.012 41.003 40.800 0.358 0.000 0.959 213 D HN 0.194 nan 8.370 nan 0.000 0.452 214 V N -0.510 119.498 119.914 0.158 0.000 2.719 214 V HA -0.085 4.035 4.120 -0.000 0.000 0.252 214 V C 2.181 178.293 176.094 0.030 0.000 1.065 214 V CA 0.988 63.326 62.300 0.063 0.000 1.086 214 V CB 0.131 31.978 31.823 0.041 0.000 0.700 214 V HN 0.138 nan 8.190 nan 0.000 0.467 215 V N -1.754 118.178 119.914 0.030 0.000 3.263 215 V HA -0.012 4.108 4.120 -0.000 0.000 0.248 215 V C 1.927 177.992 176.094 -0.048 0.000 1.145 215 V CA 0.987 63.277 62.300 -0.016 0.000 1.107 215 V CB 0.056 31.864 31.823 -0.024 0.000 0.797 215 V HN 0.590 nan 8.190 nan 0.000 0.467 216 C N -0.030 119.226 119.300 -0.073 0.000 2.626 216 C HA 0.384 4.844 4.460 -0.000 0.000 0.266 216 C C 0.557 175.206 174.990 -0.568 0.000 1.317 216 C CA -0.459 58.415 59.018 -0.239 0.000 1.716 216 C CB -1.720 25.912 27.740 -0.181 0.000 1.819 216 C HN 0.354 nan 8.230 nan 0.000 0.578 217 F N 0.158 120.095 119.950 -0.021 0.000 2.563 217 F HA 0.445 4.972 4.527 -0.000 0.000 0.316 217 F C -1.435 174.266 175.800 -0.164 0.000 1.076 217 F CA -2.137 55.801 58.000 -0.103 0.000 0.921 217 F CB 0.404 39.327 39.000 -0.129 0.000 1.209 217 F HN -0.206 nan 8.300 nan 0.000 0.462 218 P HA -0.154 nan 4.420 nan 0.000 0.218 218 P C 0.855 178.075 177.300 -0.134 0.000 1.073 218 P CA 1.386 64.427 63.100 -0.099 0.000 0.944 218 P CB -0.226 31.395 31.700 -0.132 0.000 0.572 219 G N -1.433 107.281 108.800 -0.142 0.000 2.522 219 G HA2 0.095 4.055 3.960 -0.000 0.000 0.223 219 G HA3 0.095 4.055 3.960 -0.000 0.000 0.223 219 G C -0.310 174.452 174.900 -0.232 0.000 1.565 219 G CA 0.522 45.483 45.100 -0.232 0.000 1.053 219 G HN 0.697 nan 8.290 nan 0.000 0.547 220 C N -0.286 118.886 119.300 -0.213 0.000 2.787 220 C HA 0.616 5.076 4.460 -0.000 0.000 0.265 220 C C 0.214 175.230 174.990 0.043 0.000 1.190 220 C CA -1.576 57.349 59.018 -0.154 0.000 1.616 220 C CB -1.663 26.050 27.740 -0.045 0.000 1.732 220 C HN 0.809 nan 8.230 nan 0.000 0.433 221 H N 0.154 119.283 119.070 0.099 0.000 3.058 221 H HA 0.289 4.845 4.556 -0.000 0.000 0.347 221 H C 0.010 175.494 175.328 0.260 0.000 1.087 221 H CA -0.694 55.469 56.048 0.191 0.000 1.375 221 H CB 0.176 29.981 29.762 0.073 0.000 1.312 221 H HN 0.651 nan 8.280 nan 0.000 0.607 222 I N 2.144 122.999 120.570 0.475 0.000 2.598 222 I HA -0.103 4.067 4.170 -0.000 0.000 0.284 222 I C 1.096 177.351 176.117 0.230 0.000 1.140 222 I CA 0.530 61.973 61.300 0.238 0.000 1.420 222 I CB 0.048 38.053 38.000 0.008 0.000 1.387 222 I HN 0.678 nan 8.210 nan 0.000 0.553 223 N N 3.616 122.392 118.700 0.127 0.000 2.207 223 N HA -0.062 4.678 4.740 -0.000 0.000 0.182 223 N C -0.331 175.238 175.510 0.097 0.000 1.020 223 N CA 0.654 53.781 53.050 0.128 0.000 0.858 223 N CB 0.139 38.656 38.487 0.051 0.000 0.991 223 N HN 0.747 nan 8.380 nan 0.000 0.427 224 H N -2.028 117.016 119.070 -0.044 0.000 3.060 224 H HA 0.396 4.952 4.556 -0.000 0.000 0.330 224 H C -1.833 173.313 175.328 -0.304 0.000 1.305 224 H CA -0.787 55.165 56.048 -0.161 0.000 1.209 224 H CB 0.593 30.345 29.762 -0.016 0.000 1.913 224 H HN -0.184 nan 8.280 nan 0.000 0.534 225 L N 2.479 123.500 121.223 -0.337 0.000 2.343 225 L HA 0.527 4.867 4.340 -0.000 0.000 0.278 225 L C -0.816 176.048 176.870 -0.010 0.000 0.996 225 L CA -0.519 54.130 54.840 -0.319 0.000 0.831 225 L CB 1.835 43.343 42.059 -0.918 0.000 1.232 225 L HN 0.923 nan 8.230 nan 0.000 0.413 226 T N 5.412 119.960 114.554 -0.009 0.000 2.770 226 T HA 0.397 4.747 4.350 -0.000 0.000 0.297 226 T C -2.462 172.173 174.700 -0.107 0.000 0.997 226 T CA -1.158 60.844 62.100 -0.163 0.000 0.949 226 T CB 1.333 69.777 68.868 -0.707 0.000 0.941 226 T HN 0.384 nan 8.240 nan 0.000 0.457 227 P HA 0.323 nan 4.420 nan 0.000 0.276 227 P C -0.529 176.765 177.300 -0.009 0.000 1.261 227 P CA -0.826 62.308 63.100 0.056 0.000 0.800 227 P CB 1.349 33.096 31.700 0.078 0.000 1.066 228 R N -0.051 120.446 120.500 -0.005 0.000 2.532 228 R HA 0.574 4.914 4.340 -0.000 0.000 0.295 228 R C -0.656 175.636 176.300 -0.013 0.000 0.968 228 R CA -0.385 55.705 56.100 -0.016 0.000 0.916 228 R CB 1.144 31.437 30.300 -0.011 0.000 1.124 228 R HN 0.520 nan 8.270 nan 0.000 0.463 229 T N 3.004 117.547 114.554 -0.018 0.000 2.907 229 T HA 0.291 4.641 4.350 -0.000 0.000 0.292 229 T C 0.680 175.369 174.700 -0.020 0.000 1.043 229 T CA -0.864 61.225 62.100 -0.019 0.000 1.003 229 T CB 1.196 70.050 68.868 -0.023 0.000 1.084 229 T HN 0.465 nan 8.240 nan 0.000 0.483 230 L N 1.870 123.083 121.223 -0.017 0.000 2.558 230 L HA 0.332 4.672 4.340 -0.000 0.000 0.225 230 L C 0.520 177.377 176.870 -0.021 0.000 1.128 230 L CA 1.119 55.950 54.840 -0.016 0.000 0.868 230 L CB -0.235 41.820 42.059 -0.006 0.000 1.006 230 L HN 0.722 nan 8.230 nan 0.000 0.454 231 D N -0.523 119.863 120.400 -0.024 0.000 2.318 231 D HA 0.060 4.700 4.640 -0.000 0.000 0.233 231 D C 0.774 177.056 176.300 -0.031 0.000 1.348 231 D CA -0.104 53.879 54.000 -0.028 0.000 0.983 231 D CB 1.158 41.943 40.800 -0.025 0.000 1.416 231 D HN -0.018 nan 8.370 nan 0.000 0.558 232 I N 2.636 123.186 120.570 -0.033 0.000 2.208 232 I HA -0.234 3.935 4.170 -0.000 0.000 0.245 232 I C 1.468 177.566 176.117 -0.032 0.000 1.097 232 I CA 1.381 62.662 61.300 -0.031 0.000 1.363 232 I CB 0.348 38.330 38.000 -0.030 0.000 1.051 232 I HN 0.342 nan 8.210 nan 0.000 0.413 233 D N 0.277 120.658 120.400 -0.033 0.000 2.123 233 D HA -0.271 4.369 4.640 -0.000 0.000 0.196 233 D C 2.141 178.422 176.300 -0.032 0.000 0.992 233 D CA 1.263 55.245 54.000 -0.031 0.000 0.833 233 D CB -0.285 40.497 40.800 -0.031 0.000 0.954 233 D HN 0.259 nan 8.370 nan 0.000 0.455 234 R N 1.403 121.883 120.500 -0.032 0.000 2.081 234 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 234 R C 2.223 178.498 176.300 -0.042 0.000 1.131 234 R CA 0.938 57.017 56.100 -0.034 0.000 0.960 234 R CB -0.789 29.493 30.300 -0.031 0.000 0.856 234 R HN 0.010 nan 8.270 nan 0.000 0.436 235 V N 0.903 120.789 119.914 -0.046 0.000 2.295 235 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 235 V C 2.486 178.537 176.094 -0.072 0.000 1.049 235 V CA 2.256 64.520 62.300 -0.061 0.000 1.024 235 V CB -0.670 31.117 31.823 -0.059 0.000 0.648 235 V HN 0.505 nan 8.190 nan 0.000 0.447 236 Q N 0.677 120.444 119.800 -0.057 0.000 2.135 236 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 236 Q C 1.510 177.478 176.000 -0.053 0.000 0.981 236 Q CA 1.525 57.295 55.803 -0.054 0.000 0.856 236 Q CB -0.035 28.684 28.738 -0.031 0.000 0.902 236 Q HN 0.802 nan 8.270 nan 0.000 0.425 241 E N 0.262 120.431 120.200 -0.051 0.000 2.265 241 E HA -0.052 4.298 4.350 -0.000 0.000 0.196 241 E C 0.386 176.956 176.600 -0.051 0.000 0.996 241 E CA 1.405 57.778 56.400 -0.045 0.000 0.832 241 E CB -0.044 29.631 29.700 -0.042 0.000 0.756 241 E HN 0.369 nan 8.360 nan 0.000 0.491 242 C N 0.009 119.269 119.300 -0.066 0.000 2.884 242 C HA 0.446 4.906 4.460 -0.000 0.000 0.287 242 C C 1.196 176.144 174.990 -0.070 0.000 1.310 242 C CA 0.084 59.060 59.018 -0.070 0.000 1.725 242 C CB -0.492 27.195 27.740 -0.088 0.000 2.060 242 C HN 0.620 nan 8.230 nan 0.000 0.618 243 G N 1.566 110.330 108.800 -0.060 0.000 2.137 243 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.237 243 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.237 243 G C -0.238 174.630 174.900 -0.053 0.000 1.002 243 G CA -0.077 44.995 45.100 -0.047 0.000 0.702 243 G HN 0.588 nan 8.290 nan 0.000 0.515 244 I N 0.348 120.864 120.570 -0.091 0.000 2.410 244 I HA 0.334 4.504 4.170 -0.000 0.000 0.286 244 I C -0.160 175.901 176.117 -0.094 0.000 1.009 244 I CA -0.740 60.482 61.300 -0.131 0.000 1.111 244 I CB 1.781 39.575 38.000 -0.344 0.000 1.262 244 I HN 0.032 nan 8.210 nan 0.000 0.443 245 E N 8.228 128.426 120.200 -0.003 0.000 1.936 245 E HA 0.221 4.571 4.350 -0.000 0.000 0.267 245 E C -2.075 174.568 176.600 0.071 0.000 1.076 245 E CA -1.592 54.825 56.400 0.028 0.000 0.870 245 E CB 0.509 30.244 29.700 0.058 0.000 1.093 245 E HN 0.374 nan 8.360 nan 0.000 0.411 246 P HA 0.001 nan 4.420 nan 0.000 0.282 246 P C -0.864 176.489 177.300 0.088 0.000 1.286 246 P CA -0.342 62.796 63.100 0.063 0.000 0.777 246 P CB 0.659 32.351 31.700 -0.014 0.000 1.184 247 K N -0.062 120.391 120.400 0.088 0.000 2.463 247 K HA 0.272 4.592 4.320 -0.000 0.000 0.255 247 K C 1.220 177.846 176.600 0.044 0.000 0.942 247 K CA -0.828 55.498 56.287 0.064 0.000 0.814 247 K CB 1.229 33.764 32.500 0.059 0.000 1.122 247 K HN 0.003 nan 8.250 nan 0.000 0.425 248 I N 1.409 122.002 120.570 0.037 0.000 2.188 248 I HA -0.316 3.854 4.170 -0.000 0.000 0.246 248 I C 1.246 177.389 176.117 0.043 0.000 1.033 248 I CA 1.280 62.602 61.300 0.036 0.000 1.307 248 I CB -1.566 36.459 38.000 0.041 0.000 1.005 248 I HN 0.745 nan 8.210 nan 0.000 0.421 249 L N 1.821 123.072 121.223 0.047 0.000 2.490 249 L HA 0.158 4.498 4.340 -0.000 0.000 0.274 249 L C -0.024 176.872 176.870 0.042 0.000 1.201 249 L CA 0.848 55.723 54.840 0.058 0.000 0.869 249 L CB 0.042 42.125 42.059 0.041 0.000 1.123 249 L HN 0.055 nan 8.230 nan 0.000 0.484 250 I N 5.438 126.037 120.570 0.047 0.000 2.476 250 I HA 0.248 4.418 4.170 -0.000 0.000 0.281 250 I C -0.317 175.816 176.117 0.027 0.000 1.040 250 I CA -0.557 60.756 61.300 0.021 0.000 1.094 250 I CB 1.202 39.201 38.000 -0.002 0.000 1.219 250 I HN 0.663 nan 8.210 nan 0.000 0.450 251 E N 4.531 124.748 120.200 0.028 0.000 2.373 251 E HA 0.590 4.940 4.350 -0.000 0.000 0.263 251 E C 0.503 177.122 176.600 0.031 0.000 1.073 251 E CA -0.113 56.314 56.400 0.045 0.000 0.894 251 E CB 1.301 31.027 29.700 0.043 0.000 1.008 251 E HN 0.805 nan 8.360 nan 0.000 0.420 252 G N 1.715 110.557 108.800 0.069 0.000 2.483 252 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.521 252 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.521 252 G C -2.763 172.140 174.900 0.005 0.000 1.278 252 G CA -0.774 44.362 45.100 0.059 0.000 0.965 252 G HN 0.470 nan 8.290 nan 0.000 0.504 253 P HA 0.405 nan 4.420 nan 0.000 0.277 253 P C -2.538 174.525 177.300 -0.394 0.000 1.276 253 P CA -0.804 62.035 63.100 -0.434 0.000 0.788 253 P CB 0.543 31.921 31.700 -0.537 0.000 1.114 254 P HA 0.219 nan 4.420 nan 0.000 0.280 254 P C -0.045 177.127 177.300 -0.213 0.000 1.272 254 P CA -0.675 62.256 63.100 -0.282 0.000 0.819 254 P CB 0.758 32.308 31.700 -0.249 0.000 1.122 255 R N 1.684 122.101 120.500 -0.137 0.000 2.566 255 R HA 0.012 4.352 4.340 -0.000 0.000 0.273 255 R C -0.044 176.198 176.300 -0.096 0.000 0.981 255 R CA 0.906 56.944 56.100 -0.103 0.000 1.091 255 R CB -0.027 30.232 30.300 -0.068 0.000 0.924 255 R HN 0.553 nan 8.270 nan 0.000 0.411 256 R N 2.229 122.675 120.500 -0.090 0.000 2.774 256 R HA 0.087 4.427 4.340 -0.000 0.000 0.272 256 R C 0.292 176.566 176.300 -0.042 0.000 1.000 256 R CA -0.863 55.197 56.100 -0.067 0.000 0.906 256 R CB 1.029 31.267 30.300 -0.102 0.000 1.227 256 R HN 0.518 nan 8.270 nan 0.000 0.468 257 E N 0.330 120.522 120.200 -0.014 0.000 2.051 257 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 257 E C 0.023 176.619 176.600 -0.006 0.000 0.991 257 E CA 1.237 57.637 56.400 -0.000 0.000 0.799 257 E CB 0.289 30.002 29.700 0.023 0.000 0.748 257 E HN 0.257 nan 8.360 nan 0.000 0.449 258 V N 2.716 122.626 119.914 -0.007 0.000 2.277 258 V HA 0.280 4.400 4.120 -0.000 0.000 0.269 258 V C -2.329 173.717 176.094 -0.081 0.000 1.036 258 V CA -1.849 60.441 62.300 -0.016 0.000 0.821 258 V CB 0.756 32.599 31.823 0.033 0.000 1.052 258 V HN 0.068 nan 8.190 nan 0.000 0.462 259 P HA 0.250 nan 4.420 nan 0.000 0.268 259 P C -0.403 176.770 177.300 -0.211 0.000 1.208 259 P CA 0.209 63.216 63.100 -0.154 0.000 0.777 259 P CB 0.499 32.127 31.700 -0.120 0.000 0.875 260 I N -0.935 119.457 120.570 -0.297 0.000 2.686 260 I HA 0.454 4.624 4.170 -0.000 0.000 0.295 260 I C 0.408 176.250 176.117 -0.459 0.000 1.114 260 I CA -1.144 59.922 61.300 -0.389 0.000 1.038 260 I CB 1.645 39.329 38.000 -0.527 0.000 1.238 260 I HN 0.324 nan 8.210 nan 0.000 0.420 261 L N 2.059 122.938 121.223 -0.573 0.000 5.323 261 L HA -0.314 4.026 4.340 -0.000 0.000 0.053 261 L C -0.524 176.166 176.870 -0.299 0.000 3.097 261 L CA 1.731 56.071 54.840 -0.834 0.000 1.447 261 L CB -1.394 40.109 42.059 -0.927 0.000 2.992 261 L HN 0.849 nan 8.230 nan 0.000 0.968 262 L N -2.323 118.767 121.223 -0.222 0.000 2.710 262 L HA 0.753 5.092 4.340 -0.000 0.000 0.260 262 L C -0.926 175.895 176.870 -0.082 0.000 0.993 262 L CA -0.679 54.115 54.840 -0.078 0.000 0.877 262 L CB 2.016 44.097 42.059 0.037 0.000 1.461 262 L HN 0.350 nan 8.230 nan 0.000 0.413 263 R N 1.212 121.677 120.500 -0.058 0.000 2.740 263 R HA 0.831 5.171 4.340 -0.000 0.000 0.282 263 R C -1.302 174.989 176.300 -0.015 0.000 0.969 263 R CA -0.732 55.340 56.100 -0.046 0.000 0.918 263 R CB 2.207 32.467 30.300 -0.066 0.000 1.175 263 R HN 0.890 nan 8.270 nan 0.000 0.464 264 Q N 0.360 120.159 119.800 -0.001 0.000 2.482 264 Q HA 0.610 4.950 4.340 -0.000 0.000 0.286 264 Q C -1.452 174.553 176.000 0.008 0.000 1.007 264 Q CA -0.939 54.869 55.803 0.009 0.000 0.801 264 Q CB 2.654 31.407 28.738 0.026 0.000 1.455 264 Q HN 0.506 nan 8.270 nan 0.000 0.398 265 T N 0.715 115.280 114.554 0.018 0.000 2.853 265 T HA 0.642 4.992 4.350 -0.000 0.000 0.311 265 T C -0.972 173.770 174.700 0.069 0.000 1.307 265 T CA -0.413 61.708 62.100 0.034 0.000 1.019 265 T CB 1.728 70.626 68.868 0.050 0.000 1.264 265 T HN 0.813 nan 8.240 nan 0.000 0.497 266 S N 0.728 116.471 115.700 0.072 0.000 0.000 266 S HA 1.009 5.479 4.470 -0.000 0.000 0.000 266 S C -1.302 173.464 174.600 0.276 0.000 0.000 266 S CA -0.982 57.268 58.200 0.082 0.000 0.000 266 S CB 1.604 64.725 63.200 -0.132 0.000 0.000 266 S HN 1.106 nan 8.310 nan 0.000 0.000 267 F N -2.272 117.742 119.950 0.107 0.000 2.765 267 F HA 0.579 5.106 4.527 -0.000 0.000 0.313 267 F C -1.243 174.761 175.800 0.341 0.000 1.136 267 F CA -1.221 56.882 58.000 0.172 0.000 0.952 267 F CB 1.098 40.155 39.000 0.096 0.000 1.268 267 F HN 0.734 nan 8.300 nan 0.000 0.441 268 K N 1.914 122.521 120.400 0.346 0.000 2.349 268 K HA 0.671 4.991 4.320 -0.000 0.000 0.289 268 K C 0.428 177.057 176.600 0.048 0.000 1.064 268 K CA 0.381 56.722 56.287 0.091 0.000 0.947 268 K CB 1.265 33.801 32.500 0.060 0.000 1.007 268 K HN 0.896 nan 8.250 nan 0.000 0.478 269 A N 5.605 128.323 122.820 -0.170 0.000 2.195 269 A HA 0.182 4.502 4.320 -0.000 0.000 0.210 269 A C 0.036 177.567 177.584 -0.088 0.000 1.165 269 A CA 0.039 52.066 52.037 -0.015 0.000 0.806 269 A CB -0.042 18.899 19.000 -0.098 0.000 0.847 269 A HN 0.633 nan 8.150 nan 0.000 0.482 270 L N -1.305 119.804 121.223 -0.190 0.000 3.285 270 L HA 0.334 4.674 4.340 -0.000 0.000 0.232 270 L C -2.430 174.278 176.870 -0.269 0.000 0.996 270 L CA -0.316 54.397 54.840 -0.213 0.000 1.046 270 L CB 0.969 42.874 42.059 -0.256 0.000 1.549 270 L HN 0.129 nan 8.230 nan 0.000 0.427 271 E N 2.496 122.569 120.200 -0.213 0.000 2.129 271 E HA 0.521 4.871 4.350 -0.000 0.000 0.268 271 E C -0.830 175.668 176.600 -0.170 0.000 0.900 271 E CA -0.155 56.133 56.400 -0.186 0.000 0.755 271 E CB 1.305 30.911 29.700 -0.156 0.000 1.117 271 E HN 0.536 nan 8.360 nan 0.000 0.410 272 E N 2.231 122.328 120.200 -0.173 0.000 2.283 272 E HA 0.352 4.702 4.350 -0.000 0.000 0.271 272 E C -0.882 175.736 176.600 0.030 0.000 1.031 272 E CA -0.449 55.868 56.400 -0.138 0.000 0.868 272 E CB 1.167 30.691 29.700 -0.295 0.000 1.094 272 E HN 0.399 nan 8.360 nan 0.000 0.401 273 T N 2.306 116.889 114.554 0.047 0.000 2.806 273 T HA 0.377 4.727 4.350 -0.000 0.000 0.290 273 T C -0.733 174.024 174.700 0.095 0.000 0.966 273 T CA -0.526 61.619 62.100 0.076 0.000 1.060 273 T CB 0.662 69.552 68.868 0.038 0.000 0.927 273 T HN 0.231 nan 8.240 nan 0.000 0.485 274 V N 5.830 125.756 119.914 0.020 0.000 2.394 274 V HA 0.442 4.561 4.120 -0.000 0.000 0.282 274 V C 0.091 175.956 176.094 -0.381 0.000 1.031 274 V CA -0.663 61.561 62.300 -0.126 0.000 0.881 274 V CB 0.997 32.661 31.823 -0.265 0.000 0.982 274 V HN 0.698 nan 8.190 nan 0.000 0.451 275 L N 4.371 125.344 121.223 -0.416 0.000 2.332 275 L HA 0.696 5.036 4.340 -0.000 0.000 0.269 275 L C -1.079 175.319 176.870 -0.788 0.000 1.016 275 L CA -0.551 54.029 54.840 -0.432 0.000 0.809 275 L CB 1.769 43.736 42.059 -0.153 0.000 1.280 275 L HN 0.425 nan 8.230 nan 0.000 0.447 276 F N 0.215 120.130 119.950 -0.058 0.000 2.547 276 F HA 0.544 5.071 4.527 -0.000 0.000 0.316 276 F C 0.426 176.201 175.800 -0.041 0.000 1.121 276 F CA -0.818 57.142 58.000 -0.068 0.000 0.911 276 F CB 1.702 40.656 39.000 -0.076 0.000 1.179 276 F HN 0.402 nan 8.300 nan 0.000 0.443 277 A N 1.680 124.567 122.820 0.112 0.000 2.511 277 A HA 0.447 4.767 4.320 -0.000 0.000 0.242 277 A C 1.246 178.870 177.584 0.067 0.000 1.069 277 A CA 0.828 52.901 52.037 0.059 0.000 0.763 277 A CB -0.619 18.399 19.000 0.030 0.000 1.001 277 A HN 1.784 nan 8.150 nan 0.000 0.498 278 G N 0.749 109.575 108.800 0.044 0.000 2.176 278 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.253 278 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.253 278 G C 0.044 174.968 174.900 0.040 0.000 0.979 278 G CA 0.731 45.852 45.100 0.035 0.000 0.641 278 G HN 1.873 nan 8.290 nan 0.000 0.530 279 Q N -1.374 118.463 119.800 0.061 0.000 2.462 279 Q HA 0.717 5.057 4.340 -0.000 0.000 0.285 279 Q C 0.638 176.678 176.000 0.067 0.000 1.035 279 Q CA -0.841 54.997 55.803 0.058 0.000 0.799 279 Q CB 1.115 29.887 28.738 0.057 0.000 1.452 279 Q HN 0.063 nan 8.270 nan 0.000 0.404 280 K N 0.287 120.717 120.400 0.050 0.000 2.007 280 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 280 K C 0.561 177.199 176.600 0.063 0.000 1.047 280 K CA 1.079 57.393 56.287 0.046 0.000 0.937 280 K CB 0.049 32.568 32.500 0.032 0.000 0.718 280 K HN 0.554 nan 8.250 nan 0.000 0.438 281 Q N 0.910 120.752 119.800 0.070 0.000 2.274 281 Q HA 0.117 4.457 4.340 -0.000 0.000 0.280 281 Q C -0.306 175.789 176.000 0.159 0.000 1.047 281 Q CA 0.342 56.196 55.803 0.086 0.000 0.907 281 Q CB 0.994 29.767 28.738 0.059 0.000 1.171 281 Q HN 0.281 nan 8.270 nan 0.000 0.381 282 G N 1.646 110.531 108.800 0.142 0.000 3.211 282 G HA2 0.660 4.620 3.960 -0.000 0.000 0.262 282 G HA3 0.660 4.620 3.960 -0.000 0.000 0.262 282 G C -0.903 174.082 174.900 0.142 0.000 1.352 282 G CA 0.088 45.290 45.100 0.170 0.000 1.004 282 G HN 0.667 nan 8.290 nan 0.000 0.559 283 T N -2.182 112.410 114.554 0.063 0.000 2.544 283 T HA 0.651 5.001 4.350 -0.000 0.000 0.244 283 T C -1.389 173.331 174.700 0.033 0.000 0.829 283 T CA -0.148 61.959 62.100 0.012 0.000 1.210 283 T CB 0.852 69.667 68.868 -0.089 0.000 1.487 283 T HN 1.034 nan 8.240 nan 0.000 0.488 284 H N -0.865 118.200 119.070 -0.008 0.000 2.981 284 H HA 0.660 5.216 4.556 -0.000 0.000 0.327 284 H C -1.475 173.889 175.328 0.059 0.000 1.342 284 H CA -0.593 55.464 56.048 0.014 0.000 1.123 284 H CB 1.299 31.060 29.762 -0.002 0.000 1.851 284 H HN 0.728 nan 8.280 nan 0.000 0.531 285 T N -0.340 114.341 114.554 0.212 0.000 2.843 285 T HA 0.660 5.010 4.350 -0.000 0.000 0.302 285 T C -1.391 173.331 174.700 0.037 0.000 1.232 285 T CA -0.048 62.156 62.100 0.173 0.000 1.009 285 T CB 1.571 70.597 68.868 0.262 0.000 1.254 285 T HN 0.985 nan 8.240 nan 0.000 0.504 286 A N 2.945 125.730 122.820 -0.059 0.000 2.292 286 A HA 0.789 5.109 4.320 -0.000 0.000 0.319 286 A C -0.185 177.096 177.584 -0.506 0.000 1.206 286 A CA -0.713 51.107 52.037 -0.362 0.000 0.835 286 A CB 0.587 19.239 19.000 -0.579 0.000 1.164 286 A HN 0.784 nan 8.150 nan 0.000 0.505 287 R N 1.889 122.057 120.500 -0.553 0.000 2.265 287 R HA 0.424 4.764 4.340 -0.000 0.000 0.328 287 R C -1.658 174.362 176.300 -0.467 0.000 0.969 287 R CA -0.141 55.693 56.100 -0.443 0.000 0.832 287 R CB 0.963 30.973 30.300 -0.484 0.000 1.139 287 R HN 0.591 nan 8.270 nan 0.000 0.457 288 F N 0.741 120.618 119.950 -0.121 0.000 2.404 288 F HA 0.387 4.914 4.527 -0.000 0.000 0.339 288 F C 1.334 176.923 175.800 -0.352 0.000 1.105 288 F CA -0.312 57.544 58.000 -0.240 0.000 1.087 288 F CB 1.500 40.411 39.000 -0.149 0.000 1.143 288 F HN 0.518 nan 8.300 nan 0.000 0.491 289 G N 1.559 109.944 108.800 -0.692 0.000 2.477 289 G HA2 0.532 4.492 3.960 -0.000 0.000 0.304 289 G HA3 0.532 4.492 3.960 -0.000 0.000 0.304 289 G C -1.480 173.073 174.900 -0.578 0.000 1.175 289 G CA -0.379 44.221 45.100 -0.833 0.000 0.907 289 G HN 0.629 nan 8.290 nan 0.000 0.509 290 E N -0.842 119.311 120.200 -0.079 0.000 2.383 290 E HA 0.559 4.909 4.350 -0.000 0.000 0.275 290 E C -1.899 174.781 176.600 0.132 0.000 0.918 290 E CA -0.781 55.602 56.400 -0.028 0.000 0.764 290 E CB 2.561 32.018 29.700 -0.405 0.000 1.252 290 E HN 0.358 nan 8.360 nan 0.000 0.449 291 I N 1.879 122.509 120.570 0.100 0.000 2.769 291 I HA 0.421 4.591 4.170 -0.000 0.000 0.298 291 I C -1.749 174.372 176.117 0.007 0.000 1.128 291 I CA -0.297 61.041 61.300 0.062 0.000 1.031 291 I CB 1.928 39.974 38.000 0.077 0.000 1.235 291 I HN 0.692 nan 8.210 nan 0.000 0.423 292 E N 4.774 124.963 120.200 -0.018 0.000 2.446 292 E HA 0.564 4.914 4.350 -0.000 0.000 0.276 292 E C -1.700 174.887 176.600 -0.022 0.000 0.969 292 E CA -1.030 55.361 56.400 -0.015 0.000 0.800 292 E CB 1.828 31.525 29.700 -0.004 0.000 1.341 292 E HN 0.571 nan 8.360 nan 0.000 0.460 293 Q N 0.902 120.688 119.800 -0.025 0.000 2.305 293 Q HA 0.390 4.730 4.340 -0.000 0.000 0.271 293 Q C -1.452 174.526 176.000 -0.036 0.000 1.046 293 Q CA -0.765 55.018 55.803 -0.032 0.000 0.798 293 Q CB 1.828 30.542 28.738 -0.040 0.000 1.286 293 Q HN 0.551 nan 8.270 nan 0.000 0.435 294 R N 1.864 122.345 120.500 -0.033 0.000 2.494 294 R HA 0.636 4.976 4.340 -0.000 0.000 0.305 294 R C -0.066 176.210 176.300 -0.041 0.000 0.959 294 R CA -0.553 55.533 56.100 -0.024 0.000 0.864 294 R CB 1.910 32.203 30.300 -0.011 0.000 1.159 294 R HN 0.714 nan 8.270 nan 0.000 0.446 295 G N 1.068 109.827 108.800 -0.068 0.000 2.890 295 G HA2 0.342 4.302 3.960 -0.000 0.000 0.189 295 G HA3 0.342 4.302 3.960 -0.000 0.000 0.189 295 G C -0.764 174.067 174.900 -0.114 0.000 1.342 295 G CA -0.497 44.539 45.100 -0.107 0.000 1.026 295 G HN 0.338 nan 8.290 nan 0.000 0.579 296 V N 0.405 120.213 119.914 -0.177 0.000 2.775 296 V HA 0.525 4.645 4.120 -0.000 0.000 0.299 296 V C 0.872 176.820 176.094 -0.244 0.000 1.062 296 V CA -0.113 62.055 62.300 -0.219 0.000 1.063 296 V CB 1.004 32.644 31.823 -0.304 0.000 0.994 296 V HN 0.987 nan 8.190 nan 0.000 0.483 297 A N 6.978 129.660 122.820 -0.230 0.000 2.401 297 A HA 0.547 4.867 4.320 -0.000 0.000 0.259 297 A C -0.323 177.172 177.584 -0.150 0.000 1.103 297 A CA -0.339 51.540 52.037 -0.264 0.000 0.789 297 A CB 0.004 18.523 19.000 -0.801 0.000 1.035 297 A HN 0.829 nan 8.150 nan 0.000 0.491 298 L N 1.673 122.824 121.223 -0.121 0.000 2.357 298 L HA 0.340 4.680 4.340 -0.000 0.000 0.273 298 L C 1.096 178.025 176.870 0.098 0.000 1.080 298 L CA -0.464 54.347 54.840 -0.049 0.000 0.803 298 L CB 1.487 43.534 42.059 -0.020 0.000 1.174 298 L HN 0.760 nan 8.230 nan 0.000 0.443 299 T N 1.943 116.337 114.554 -0.267 0.000 2.828 299 T HA 0.140 4.490 4.350 -0.000 0.000 0.290 299 T C -1.638 173.017 174.700 -0.075 0.000 1.019 299 T CA -1.251 60.600 62.100 -0.414 0.000 1.031 299 T CB 1.373 69.808 68.868 -0.721 0.000 1.001 299 T HN 0.390 nan 8.240 nan 0.000 0.531 300 P HA -0.053 nan 4.420 nan 0.000 0.216 300 P C 1.356 178.523 177.300 -0.222 0.000 1.150 300 P CA 1.080 63.861 63.100 -0.533 0.000 0.837 300 P CB 0.148 31.532 31.700 -0.527 0.000 0.786 301 K N -0.366 119.928 120.400 -0.177 0.000 2.097 301 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 301 K C 2.120 178.664 176.600 -0.093 0.000 1.050 301 K CA 1.713 57.922 56.287 -0.131 0.000 0.938 301 K CB -0.880 31.531 32.500 -0.148 0.000 0.718 301 K HN 0.088 nan 8.250 nan 0.000 0.442 302 G N 0.552 109.315 108.800 -0.063 0.000 2.430 302 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 302 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 302 G C 1.593 176.630 174.900 0.228 0.000 1.146 302 G CA -0.131 45.001 45.100 0.053 0.000 0.793 302 G HN 0.098 nan 8.290 nan 0.000 0.537 303 R N 0.425 121.042 120.500 0.195 0.000 2.115 303 R HA 0.007 4.346 4.340 -0.000 0.000 0.230 303 R C 2.454 178.920 176.300 0.277 0.000 1.111 303 R CA 1.311 57.587 56.100 0.292 0.000 0.976 303 R CB -0.625 29.921 30.300 0.409 0.000 0.870 303 R HN 0.583 nan 8.270 nan 0.000 0.445 304 Q N -0.077 119.808 119.800 0.141 0.000 2.119 304 Q HA -0.134 4.206 4.340 -0.000 0.000 0.201 304 Q C 1.925 177.969 176.000 0.073 0.000 0.972 304 Q CA 1.143 56.997 55.803 0.085 0.000 0.847 304 Q CB -0.055 28.685 28.738 0.004 0.000 0.903 304 Q HN 0.162 nan 8.270 nan 0.000 0.433 305 L N 0.142 121.400 121.223 0.059 0.000 2.056 305 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 305 L C 2.154 179.096 176.870 0.119 0.000 1.078 305 L CA 1.840 56.675 54.840 -0.009 0.000 0.749 305 L CB -0.957 40.984 42.059 -0.196 0.000 0.901 305 L HN 0.352 nan 8.230 nan 0.000 0.433 306 Y N 0.523 120.960 120.300 0.228 0.000 2.128 306 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 306 Y C 2.239 178.239 175.900 0.168 0.000 1.154 306 Y CA 2.193 60.475 58.100 0.304 0.000 1.149 306 Y CB -0.418 38.239 38.460 0.328 0.000 0.976 306 Y HN 0.323 nan 8.280 nan 0.000 0.505 307 D N 0.172 120.661 120.400 0.147 0.000 2.123 307 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 307 D C 1.729 177.989 176.300 -0.065 0.000 0.992 307 D CA 1.671 55.686 54.000 0.025 0.000 0.833 307 D CB -0.426 40.455 40.800 0.133 0.000 0.954 307 D HN 0.450 nan 8.370 nan 0.000 0.455 308 D N 0.424 120.791 120.400 -0.055 0.000 2.084 308 D HA -0.086 4.554 4.640 -0.000 0.000 0.194 308 D C 2.414 178.618 176.300 -0.160 0.000 0.990 308 D CA 0.367 54.315 54.000 -0.086 0.000 0.826 308 D CB -0.513 40.239 40.800 -0.081 0.000 0.971 308 D HN 0.185 nan 8.370 nan 0.000 0.453 309 L N 0.377 121.441 121.223 -0.265 0.000 2.043 309 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 309 L C 2.604 179.272 176.870 -0.337 0.000 1.075 309 L CA 0.758 55.334 54.840 -0.439 0.000 0.752 309 L CB -0.307 41.194 42.059 -0.930 0.000 0.891 309 L HN 0.100 nan 8.230 nan 0.000 0.432 310 L N -0.581 120.472 121.223 -0.283 0.000 2.056 310 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 310 L C 2.552 179.381 176.870 -0.069 0.000 1.078 310 L CA 1.107 55.864 54.840 -0.139 0.000 0.749 310 L CB -0.340 41.592 42.059 -0.212 0.000 0.901 310 L HN 0.245 nan 8.230 nan 0.000 0.433 311 R N -0.031 120.424 120.500 -0.075 0.000 2.369 311 R HA -0.127 4.213 4.340 -0.000 0.000 0.200 311 R C 1.673 177.958 176.300 -0.025 0.000 1.046 311 R CA 0.501 56.582 56.100 -0.031 0.000 1.057 311 R CB -0.099 30.186 30.300 -0.026 0.000 0.888 311 R HN 0.353 nan 8.270 nan 0.000 0.474 312 N N -0.623 118.050 118.700 -0.045 0.000 2.407 312 N HA 0.071 4.811 4.740 -0.000 0.000 0.182 312 N C -0.083 175.446 175.510 0.031 0.000 1.079 312 N CA 0.391 53.423 53.050 -0.029 0.000 0.882 312 N CB 0.528 38.963 38.487 -0.088 0.000 1.106 312 N HN 0.164 nan 8.380 nan 0.000 0.461 326 L N 0.845 122.004 121.223 -0.106 0.000 1.994 326 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 326 L C 2.258 179.147 176.870 0.033 0.000 1.071 326 L CA 2.407 57.200 54.840 -0.078 0.000 0.745 326 L CB -0.267 41.694 42.059 -0.163 0.000 0.892 326 L HN 0.453 nan 8.230 nan 0.000 0.431 327 Q N -0.417 119.372 119.800 -0.019 0.000 2.135 327 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 327 Q C 2.023 178.057 176.000 0.056 0.000 0.981 327 Q CA 1.749 57.563 55.803 0.017 0.000 0.856 327 Q CB 0.111 28.840 28.738 -0.015 0.000 0.902 327 Q HN 0.403 nan 8.270 nan 0.000 0.425 328 E N -0.416 119.796 120.200 0.021 0.000 2.038 328 E HA -0.163 4.186 4.350 -0.000 0.000 0.195 328 E C 2.104 178.703 176.600 -0.001 0.000 1.000 328 E CA 1.864 58.275 56.400 0.019 0.000 0.803 328 E CB -0.514 29.207 29.700 0.037 0.000 0.750 328 E HN 0.428 nan 8.360 nan 0.000 0.448 329 T N 0.992 115.502 114.554 -0.073 0.000 2.684 329 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 329 T C 1.559 176.218 174.700 -0.069 0.000 1.036 329 T CA 1.113 63.141 62.100 -0.120 0.000 1.148 329 T CB -0.434 68.298 68.868 -0.227 0.000 0.863 329 T HN 0.071 nan 8.240 nan 0.000 0.436 330 F N 1.547 121.470 119.950 -0.046 0.000 2.771 330 F HA 0.136 4.663 4.527 -0.000 0.000 0.299 330 F C 2.121 177.958 175.800 0.061 0.000 1.177 330 F CA 0.097 58.116 58.000 0.031 0.000 1.450 330 F CB -0.457 38.558 39.000 0.025 0.000 1.114 330 F HN 0.010 nan 8.300 nan 0.000 0.587 331 R N -0.861 119.728 120.500 0.148 0.000 2.241 331 R HA -0.095 4.245 4.340 -0.000 0.000 0.224 331 R C 1.863 178.217 176.300 0.091 0.000 1.101 331 R CA 1.461 57.627 56.100 0.110 0.000 0.995 331 R CB -0.676 29.660 30.300 0.061 0.000 0.870 331 R HN 0.189 nan 8.270 nan 0.000 0.463 332 T N 0.288 114.872 114.554 0.050 0.000 2.904 332 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 332 T C 0.243 174.958 174.700 0.025 0.000 1.059 332 T CA 0.644 62.738 62.100 -0.009 0.000 1.137 332 T CB -0.109 68.700 68.868 -0.099 0.000 0.879 332 T HN 0.017 nan 8.240 nan 0.000 0.467 333 F N 3.608 123.559 119.950 0.001 0.000 2.444 333 F HA 0.338 4.865 4.527 -0.000 0.000 0.360 333 F C -2.327 173.513 175.800 0.066 0.000 1.106 333 F CA -3.665 54.369 58.000 0.056 0.000 1.170 333 F CB 0.334 39.458 39.000 0.207 0.000 1.113 333 F HN -0.090 nan 8.300 nan 0.000 0.521 334 P HA -0.099 nan 4.420 nan 0.000 0.261 334 P C -0.474 177.002 177.300 0.294 0.000 1.165 334 P CA 0.616 63.839 63.100 0.204 0.000 0.759 334 P CB 0.421 32.168 31.700 0.078 0.000 0.772 335 D N 1.380 121.889 120.400 0.181 0.000 2.894 335 D HA 0.164 4.804 4.640 -0.000 0.000 0.273 335 D C -0.755 175.615 176.300 0.117 0.000 1.328 335 D CA 0.033 54.116 54.000 0.139 0.000 0.845 335 D CB -0.241 40.620 40.800 0.101 0.000 1.072 335 D HN 0.213 nan 8.370 nan 0.000 0.484 336 S N -1.186 114.597 115.700 0.138 0.000 2.668 336 S HA 0.234 4.704 4.470 -0.000 0.000 0.277 336 S C 0.934 175.633 174.600 0.166 0.000 1.170 336 S CA -0.679 57.608 58.200 0.146 0.000 0.994 336 S CB 1.563 64.862 63.200 0.165 0.000 1.051 336 S HN 0.021 nan 8.310 nan 0.000 0.484 337 E N 1.542 121.854 120.200 0.186 0.000 2.169 337 E HA -0.204 4.146 4.350 -0.000 0.000 0.202 337 E C 1.208 177.850 176.600 0.071 0.000 1.016 337 E CA 1.931 58.467 56.400 0.226 0.000 0.817 337 E CB -0.294 29.558 29.700 0.255 0.000 0.736 337 E HN 0.795 nan 8.360 nan 0.000 0.462 338 F N 1.494 121.424 119.950 -0.033 0.000 2.102 338 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 338 F C 1.091 176.859 175.800 -0.052 0.000 1.105 338 F CA 0.945 58.900 58.000 -0.075 0.000 1.239 338 F CB -0.260 38.714 39.000 -0.042 0.000 0.991 338 F HN -0.180 nan 8.300 nan 0.000 0.474 342 Q N 1.069 120.674 119.800 -0.325 0.000 2.084 342 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 342 Q C 0.742 176.621 176.000 -0.201 0.000 0.978 342 Q CA 1.854 57.470 55.803 -0.312 0.000 0.844 342 Q CB 0.129 28.535 28.738 -0.552 0.000 0.898 342 Q HN 0.461 nan 8.270 nan 0.000 0.426 343 Q N -0.753 118.931 119.800 -0.192 0.000 2.247 343 Q HA 0.173 4.513 4.340 -0.000 0.000 0.205 343 Q C 0.219 176.137 176.000 -0.137 0.000 0.896 343 Q CA 0.239 55.948 55.803 -0.157 0.000 0.950 343 Q CB 0.698 29.332 28.738 -0.174 0.000 1.054 343 Q HN 0.574 nan 8.270 nan 0.000 0.482 344 G N 1.398 110.129 108.800 -0.116 0.000 2.366 344 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.299 344 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.299 344 G C 0.396 175.188 174.900 -0.180 0.000 1.020 344 G CA 0.247 45.270 45.100 -0.127 0.000 1.026 344 G HN 0.434 nan 8.290 nan 0.000 0.512 345 L N -1.371 119.779 121.223 -0.122 0.000 2.463 345 L HA 0.527 4.867 4.340 -0.000 0.000 0.219 345 L C 1.544 178.349 176.870 -0.107 0.000 1.088 345 L CA 0.983 55.757 54.840 -0.110 0.000 0.849 345 L CB -0.046 41.972 42.059 -0.067 0.000 1.012 345 L HN 0.608 nan 8.230 nan 0.000 0.468 346 A N -1.379 121.386 122.820 -0.092 0.000 2.530 346 A HA 0.595 4.915 4.320 -0.000 0.000 0.288 346 A C -2.243 175.188 177.584 -0.254 0.000 1.172 346 A CA -0.492 51.417 52.037 -0.214 0.000 0.733 346 A CB 0.589 19.520 19.000 -0.115 0.000 1.320 346 A HN 0.138 nan 8.150 nan 0.000 0.419 347 W N 0.180 121.394 121.300 -0.144 0.000 2.335 347 W HA 0.630 5.290 4.660 0.000 0.000 0.307 347 W C -1.109 175.206 176.519 -0.341 0.000 1.117 347 W CA -0.058 57.245 57.345 -0.070 0.000 1.228 347 W CB 1.071 30.508 29.460 -0.039 0.000 1.240 347 W HN 0.422 nan 8.180 nan 0.000 0.468 348 F N 1.728 121.839 119.950 0.269 0.000 2.546 348 F HA 0.483 5.009 4.527 -0.000 0.000 0.320 348 F C 0.247 176.040 175.800 -0.011 0.000 1.076 348 F CA -1.551 56.447 58.000 -0.003 0.000 0.928 348 F CB 1.804 40.627 39.000 -0.294 0.000 1.189 348 F HN 0.133 nan 8.300 nan 0.000 0.465 349 R N 2.468 123.025 120.500 0.095 0.000 2.215 349 R HA 0.356 4.696 4.340 -0.000 0.000 0.337 349 R C -1.666 174.658 176.300 0.040 0.000 1.010 349 R CA -0.482 55.689 56.100 0.118 0.000 0.871 349 R CB 0.214 30.572 30.300 0.097 0.000 1.134 349 R HN 0.633 nan 8.270 nan 0.000 0.477 350 Y N 3.479 123.888 120.300 0.181 0.000 2.402 350 Y HA 0.255 4.805 4.550 -0.000 0.000 0.333 350 Y C 0.602 176.569 175.900 0.113 0.000 1.076 350 Y CA 0.004 58.191 58.100 0.144 0.000 1.299 350 Y CB 0.857 39.394 38.460 0.130 0.000 1.197 350 Y HN 0.299 nan 8.280 nan 0.000 0.517 351 R N 3.201 123.827 120.500 0.209 0.000 2.750 351 R HA 0.526 4.866 4.340 -0.000 0.000 0.281 351 R C -1.160 175.226 176.300 0.143 0.000 0.972 351 R CA -1.084 55.105 56.100 0.149 0.000 0.912 351 R CB 2.044 32.405 30.300 0.103 0.000 1.187 351 R HN 0.598 nan 8.270 nan 0.000 0.464 352 L N 0.961 122.251 121.223 0.111 0.000 2.417 352 L HA 0.242 4.582 4.340 -0.000 0.000 0.268 352 L C 0.746 177.664 176.870 0.080 0.000 1.158 352 L CA 0.102 54.999 54.840 0.096 0.000 0.819 352 L CB 1.395 43.485 42.059 0.052 0.000 1.112 352 L HN 0.545 nan 8.230 nan 0.000 0.458 353 T N 2.288 116.897 114.554 0.091 0.000 2.918 353 T HA 0.217 4.567 4.350 -0.000 0.000 0.283 353 T C -1.650 173.070 174.700 0.034 0.000 1.001 353 T CA -1.531 60.619 62.100 0.083 0.000 1.041 353 T CB 1.758 70.709 68.868 0.140 0.000 1.028 353 T HN 0.363 nan 8.240 nan 0.000 0.511 354 P HA -0.146 nan 4.420 nan 0.000 0.216 354 P C 1.718 178.995 177.300 -0.039 0.000 1.157 354 P CA 1.068 64.165 63.100 -0.005 0.000 0.880 354 P CB 0.057 31.763 31.700 0.009 0.000 0.791 355 S N -1.060 114.644 115.700 0.007 0.000 2.370 355 S HA -0.137 4.333 4.470 -0.000 0.000 0.226 355 S C 2.176 176.647 174.600 -0.214 0.000 1.033 355 S CA 1.847 60.046 58.200 -0.001 0.000 1.011 355 S CB -1.476 61.836 63.200 0.187 0.000 0.852 355 S HN 0.207 nan 8.310 nan 0.000 0.457 356 G N 0.912 109.623 108.800 -0.149 0.000 2.421 356 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 356 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 356 G C 1.395 176.141 174.900 -0.257 0.000 1.171 356 G CA 0.803 45.759 45.100 -0.240 0.000 0.775 356 G HN 0.640 nan 8.290 nan 0.000 0.543 357 E N 0.739 120.848 120.200 -0.150 0.000 2.110 357 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 357 E C 2.945 179.414 176.600 -0.219 0.000 0.988 357 E CA 0.730 57.048 56.400 -0.138 0.000 0.804 357 E CB -0.211 29.440 29.700 -0.081 0.000 0.745 357 E HN 0.410 nan 8.360 nan 0.000 0.458 358 A N 1.815 124.458 122.820 -0.295 0.000 1.865 358 A HA -0.186 4.133 4.320 -0.000 0.000 0.217 358 A C 1.657 178.904 177.584 -0.563 0.000 1.191 358 A CA 1.348 53.134 52.037 -0.418 0.000 0.623 358 A CB -0.695 17.999 19.000 -0.510 0.000 0.826 358 A HN 0.293 nan 8.150 nan 0.000 0.444 359 H N -1.244 117.488 119.070 -0.563 0.000 2.592 359 H HA 0.144 4.700 4.556 -0.000 0.000 0.291 359 H C 1.697 176.727 175.328 -0.496 0.000 1.052 359 H CA 0.387 56.026 56.048 -0.683 0.000 1.175 359 H CB -0.153 28.684 29.762 -1.542 0.000 1.378 359 H HN 0.541 nan 8.280 nan 0.000 0.576 360 R N 0.856 121.200 120.500 -0.261 0.000 2.133 360 R HA -0.153 4.186 4.340 -0.000 0.000 0.247 360 R C 1.294 177.528 176.300 -0.109 0.000 1.151 360 R CA 1.201 57.211 56.100 -0.151 0.000 0.971 360 R CB 0.199 30.435 30.300 -0.107 0.000 0.866 360 R HN 0.206 nan 8.270 nan 0.000 0.447 361 Q N -1.078 118.669 119.800 -0.088 0.000 2.387 361 Q HA 0.021 4.361 4.340 -0.000 0.000 0.211 361 Q C 0.575 176.563 176.000 -0.020 0.000 0.952 361 Q CA 0.725 56.517 55.803 -0.019 0.000 0.957 361 Q CB 1.047 29.791 28.738 0.010 0.000 1.002 361 Q HN 0.413 nan 8.270 nan 0.000 0.502 362 A N -0.533 122.212 122.820 -0.125 0.000 2.456 362 A HA 0.268 4.588 4.320 -0.000 0.000 0.237 362 A C 0.677 177.992 177.584 -0.448 0.000 1.217 362 A CA -0.268 51.686 52.037 -0.139 0.000 0.962 362 A CB 0.676 19.758 19.000 0.138 0.000 1.079 362 A HN 0.199 nan 8.150 nan 0.000 0.536 363 I N 2.538 122.880 120.570 -0.380 0.000 2.315 363 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 363 I C -0.504 175.373 176.117 -0.400 0.000 1.006 363 I CA -0.459 60.676 61.300 -0.275 0.000 1.265 363 I CB 0.694 38.670 38.000 -0.040 0.000 1.387 363 I HN 0.246 nan 8.210 nan 0.000 0.475 364 H N 5.724 124.833 119.070 0.066 0.000 2.679 364 H HA 0.415 4.971 4.556 -0.000 0.000 0.367 364 H C -2.483 172.862 175.328 0.029 0.000 1.162 364 H CA -2.634 53.439 56.048 0.043 0.000 1.181 364 H CB 1.510 31.296 29.762 0.040 0.000 1.693 364 H HN 0.224 nan 8.280 nan 0.000 0.538 365 P HA 0.037 nan 4.420 nan 0.000 0.264 365 P C 0.943 178.282 177.300 0.066 0.000 1.193 365 P CA 1.660 64.807 63.100 0.079 0.000 0.763 365 P CB 0.394 32.132 31.700 0.064 0.000 0.810 366 G N 2.039 110.860 108.800 0.035 0.000 2.217 366 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.246 366 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.246 366 G C 0.037 174.949 174.900 0.021 0.000 0.990 366 G CA -0.291 44.824 45.100 0.025 0.000 0.627 366 G HN 0.489 nan 8.290 nan 0.000 0.522 367 D N 1.146 121.566 120.400 0.033 0.000 2.400 367 D HA 0.419 5.059 4.640 -0.000 0.000 0.238 367 D C 0.265 176.561 176.300 -0.006 0.000 1.157 367 D CA 0.064 54.080 54.000 0.027 0.000 0.889 367 D CB 0.675 41.502 40.800 0.044 0.000 1.199 367 D HN 0.211 nan 8.370 nan 0.000 0.436 368 D N 0.687 121.086 120.400 -0.001 0.000 2.317 368 D HA 0.137 4.777 4.640 -0.000 0.000 0.252 368 D C -1.849 174.448 176.300 -0.006 0.000 1.174 368 D CA -1.867 52.127 54.000 -0.009 0.000 0.866 368 D CB 1.324 42.125 40.800 0.002 0.000 1.127 368 D HN -0.025 nan 8.370 nan 0.000 0.467 369 P HA -0.112 nan 4.420 nan 0.000 0.221 369 P C 1.130 178.472 177.300 0.071 0.000 1.150 369 P CA 0.598 63.715 63.100 0.028 0.000 0.800 369 P CB 0.334 32.040 31.700 0.011 0.000 0.787 370 Q N 0.423 120.263 119.800 0.067 0.000 2.062 370 Q HA -0.170 4.170 4.340 -0.000 0.000 0.209 370 Q C -0.653 175.359 176.000 0.019 0.000 0.996 370 Q CA 2.753 58.603 55.803 0.079 0.000 0.859 370 Q CB -2.053 26.751 28.738 0.110 0.000 0.920 370 Q HN 0.201 nan 8.270 nan 0.000 0.415 371 P HA -0.133 nan 4.420 nan 0.000 0.215 371 P C 1.032 178.256 177.300 -0.127 0.000 1.157 371 P CA 1.291 64.345 63.100 -0.077 0.000 0.868 371 P CB -0.157 31.497 31.700 -0.077 0.000 0.788 372 L N -1.653 119.524 121.223 -0.076 0.000 2.191 372 L HA -0.134 4.205 4.340 -0.000 0.000 0.212 372 L C 2.327 179.191 176.870 -0.009 0.000 1.103 372 L CA 1.187 55.992 54.840 -0.059 0.000 0.769 372 L CB -0.761 41.357 42.059 0.098 0.000 0.908 372 L HN -0.036 nan 8.230 nan 0.000 0.438 373 I N -0.427 120.156 120.570 0.021 0.000 2.333 373 I HA -0.191 3.979 4.170 -0.000 0.000 0.246 373 I C 2.278 178.382 176.117 -0.021 0.000 1.106 373 I CA 1.099 62.424 61.300 0.042 0.000 1.411 373 I CB -0.207 37.833 38.000 0.067 0.000 1.082 373 I HN 0.221 nan 8.210 nan 0.000 0.420 374 E N 0.547 120.706 120.200 -0.069 0.000 2.268 374 E HA -0.189 4.160 4.350 -0.000 0.000 0.195 374 E C 2.136 178.651 176.600 -0.142 0.000 0.995 374 E CA 0.515 56.853 56.400 -0.103 0.000 0.836 374 E CB -0.032 29.596 29.700 -0.120 0.000 0.763 374 E HN 0.314 nan 8.360 nan 0.000 0.491 375 R N -0.323 120.044 120.500 -0.222 0.000 2.236 375 R HA -0.046 4.294 4.340 -0.000 0.000 0.208 375 R C 1.069 177.209 176.300 -0.266 0.000 1.036 375 R CA 0.893 56.761 56.100 -0.387 0.000 1.001 375 R CB 0.180 30.010 30.300 -0.783 0.000 0.896 375 R HN 0.264 nan 8.270 nan 0.000 0.464 376 G N -1.050 107.705 108.800 -0.075 0.000 2.157 376 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.239 376 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.239 376 G C 0.238 175.327 174.900 0.314 0.000 0.982 376 G CA 0.236 45.395 45.100 0.099 0.000 0.650 376 G HN 0.286 nan 8.290 nan 0.000 0.527 377 W N -0.161 121.155 121.300 0.027 0.000 2.576 377 W HA 0.550 5.210 4.660 0.000 0.000 0.275 377 W C 1.101 177.656 176.519 0.058 0.000 1.241 377 W CA 0.224 57.597 57.345 0.046 0.000 1.328 377 W CB -0.261 29.218 29.460 0.032 0.000 1.092 377 W HN 0.183 nan 8.180 nan 0.000 0.586 378 V N 0.423 120.509 119.914 0.288 0.000 2.864 378 V HA 0.580 4.700 4.120 -0.000 0.000 0.314 378 V C -0.644 175.553 176.094 0.172 0.000 1.073 378 V CA -1.234 61.201 62.300 0.225 0.000 0.956 378 V CB 2.452 34.421 31.823 0.244 0.000 1.023 378 V HN -0.375 nan 8.190 nan 0.000 0.435 379 V N 2.888 122.895 119.914 0.156 0.000 2.638 379 V HA 0.876 4.995 4.120 -0.000 0.000 0.306 379 V C -0.150 175.977 176.094 0.054 0.000 1.052 379 V CA -0.292 62.067 62.300 0.098 0.000 0.885 379 V CB 1.856 33.730 31.823 0.085 0.000 0.999 379 V HN 1.128 nan 8.190 nan 0.000 0.424 380 A N 6.166 128.972 122.820 -0.023 0.000 2.341 380 A HA 0.563 4.883 4.320 -0.000 0.000 0.326 380 A C -0.120 177.506 177.584 0.070 0.000 1.402 380 A CA -0.382 51.546 52.037 -0.182 0.000 0.957 380 A CB 0.555 19.300 19.000 -0.425 0.000 1.151 380 A HN 0.864 nan 8.150 nan 0.000 0.533 381 Q N 3.133 122.973 119.800 0.068 0.000 2.261 381 Q HA 0.333 4.673 4.340 -0.000 0.000 0.252 381 Q C -2.658 173.407 176.000 0.109 0.000 0.915 381 Q CA -1.771 54.091 55.803 0.099 0.000 0.915 381 Q CB 1.153 29.923 28.738 0.053 0.000 1.204 381 Q HN 0.356 nan 8.270 nan 0.000 0.421 382 P HA 0.245 nan 4.420 nan 0.000 0.280 382 P C -0.704 176.487 177.300 -0.181 0.000 1.244 382 P CA -0.055 62.871 63.100 -0.289 0.000 0.784 382 P CB 0.652 32.194 31.700 -0.263 0.000 0.913 383 I N 2.237 122.685 120.570 -0.203 0.000 2.416 383 I HA 0.097 4.267 4.170 -0.000 0.000 0.288 383 I C 0.823 176.891 176.117 -0.081 0.000 1.051 383 I CA -0.065 61.199 61.300 -0.060 0.000 1.375 383 I CB 0.457 38.479 38.000 0.037 0.000 1.407 383 I HN 0.231 nan 8.210 nan 0.000 0.516 384 T N 5.347 119.887 114.554 -0.022 0.000 2.932 384 T HA -0.043 4.307 4.350 -0.000 0.000 0.312 384 T C -0.317 174.401 174.700 0.030 0.000 1.071 384 T CA 0.219 62.314 62.100 -0.009 0.000 1.128 384 T CB 0.115 68.988 68.868 0.008 0.000 0.984 384 T HN 0.234 nan 8.240 nan 0.000 0.549 385 Y N 2.761 122.978 120.300 -0.139 0.000 2.393 385 Y HA 0.172 4.722 4.550 -0.000 0.000 0.338 385 Y C 1.208 177.084 175.900 -0.040 0.000 1.029 385 Y CA -0.934 57.080 58.100 -0.143 0.000 1.239 385 Y CB 0.481 38.830 38.460 -0.186 0.000 1.170 385 Y HN 0.629 nan 8.280 nan 0.000 0.515 386 E N 3.120 123.166 120.200 -0.257 0.000 2.476 386 E HA 0.045 4.395 4.350 -0.000 0.000 0.199 386 E C -0.197 176.068 176.600 -0.559 0.000 1.021 386 E CA 0.359 56.588 56.400 -0.286 0.000 0.907 386 E CB 0.566 30.205 29.700 -0.102 0.000 0.974 386 E HN 0.745 nan 8.360 nan 0.000 0.489 387 D N -0.360 119.424 120.400 -1.026 0.000 2.494 387 D HA 0.389 5.029 4.640 -0.000 0.000 0.256 387 D C 0.032 175.784 176.300 -0.914 0.000 1.197 387 D CA -0.354 53.169 54.000 -0.796 0.000 1.096 387 D CB 0.503 41.075 40.800 -0.380 0.000 1.191 387 D HN -0.181 nan 8.370 nan 0.000 0.608 388 F N -0.519 119.462 119.950 0.052 0.000 2.679 388 F HA 0.396 4.923 4.527 -0.000 0.000 0.341 388 F C 0.139 176.171 175.800 0.386 0.000 1.095 388 F CA -0.949 57.136 58.000 0.141 0.000 1.004 388 F CB 0.711 39.564 39.000 -0.244 0.000 1.388 388 F HN -0.081 nan 8.300 nan 0.000 0.505 389 L N 3.521 124.990 121.223 0.411 0.000 2.416 389 L HA 0.254 4.594 4.340 -0.000 0.000 0.272 389 L C -2.038 175.072 176.870 0.401 0.000 1.161 389 L CA -1.663 53.365 54.840 0.313 0.000 0.845 389 L CB 0.275 42.452 42.059 0.197 0.000 1.119 389 L HN 0.255 nan 8.230 nan 0.000 0.464 390 P HA 0.009 nan 4.420 nan 0.000 0.271 390 P C -0.551 176.926 177.300 0.295 0.000 1.216 390 P CA -0.207 63.113 63.100 0.367 0.000 0.776 390 P CB 1.531 33.420 31.700 0.315 0.000 0.881 391 V N 3.184 123.254 119.914 0.261 0.000 2.488 391 V HA 0.105 4.225 4.120 -0.000 0.000 0.277 391 V C 0.418 176.595 176.094 0.140 0.000 1.046 391 V CA 0.186 62.592 62.300 0.176 0.000 0.986 391 V CB 0.259 32.171 31.823 0.148 0.000 0.989 391 V HN 0.652 nan 8.190 nan 0.000 0.475 413 A N -0.380 122.448 122.820 0.013 0.000 2.225 413 A HA 0.013 4.333 4.320 -0.000 0.000 0.215 413 A C 1.754 179.361 177.584 0.040 0.000 1.164 413 A CA 2.079 54.127 52.037 0.019 0.000 0.710 413 A CB -1.313 17.701 19.000 0.024 0.000 0.780 413 A HN 0.688 nan 8.150 nan 0.000 0.473 414 S N -0.625 115.107 115.700 0.053 0.000 2.427 414 S HA -0.023 4.447 4.470 -0.000 0.000 0.224 414 S C 1.972 176.598 174.600 0.043 0.000 1.047 414 S CA 0.600 58.889 58.200 0.148 0.000 0.953 414 S CB -0.377 62.968 63.200 0.243 0.000 0.824 414 S HN 0.614 nan 8.310 nan 0.000 0.502 415 R N 1.510 121.819 120.500 -0.317 0.000 2.070 415 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 415 R C 2.486 178.624 176.300 -0.271 0.000 1.138 415 R CA 1.720 57.343 56.100 -0.795 0.000 0.936 415 R CB -0.455 29.426 30.300 -0.698 0.000 0.839 415 R HN 0.621 nan 8.270 nan 0.000 0.429 416 E N -0.235 119.887 120.200 -0.130 0.000 2.085 416 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 416 E C 1.773 178.375 176.600 0.003 0.000 0.994 416 E CA 1.255 57.627 56.400 -0.048 0.000 0.801 416 E CB -0.115 29.568 29.700 -0.028 0.000 0.743 416 E HN 0.503 nan 8.360 nan 0.000 0.453 417 A N 0.893 123.740 122.820 0.045 0.000 1.851 417 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 417 A C 2.038 179.688 177.584 0.110 0.000 1.195 417 A CA 1.600 53.693 52.037 0.093 0.000 0.622 417 A CB -1.147 17.945 19.000 0.154 0.000 0.831 417 A HN 0.511 nan 8.150 nan 0.000 0.444 418 F N 1.049 121.018 119.950 0.031 0.000 2.091 418 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 418 F C 2.308 178.060 175.800 -0.080 0.000 1.103 418 F CA 2.412 60.369 58.000 -0.071 0.000 1.228 418 F CB -0.243 38.612 39.000 -0.241 0.000 0.984 418 F HN 0.393 nan 8.300 nan 0.000 0.477 419 E N -0.489 119.757 120.200 0.076 0.000 2.153 419 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 419 E C 2.199 178.763 176.600 -0.060 0.000 0.988 419 E CA 1.093 57.500 56.400 0.012 0.000 0.811 419 E CB -0.367 29.345 29.700 0.020 0.000 0.746 419 E HN 0.602 nan 8.360 nan 0.000 0.466 420 Q N 0.439 120.210 119.800 -0.049 0.000 2.046 420 Q HA -0.155 4.185 4.340 -0.000 0.000 0.200 420 Q C 2.245 178.196 176.000 -0.081 0.000 0.975 420 Q CA 1.340 57.116 55.803 -0.045 0.000 0.836 420 Q CB -0.086 28.641 28.738 -0.018 0.000 0.896 420 Q HN 0.235 nan 8.270 nan 0.000 0.428 421 A N 1.075 123.816 122.820 -0.132 0.000 1.908 421 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 421 A C 2.085 179.549 177.584 -0.201 0.000 1.181 421 A CA 1.065 53.002 52.037 -0.166 0.000 0.627 421 A CB -0.805 18.060 19.000 -0.224 0.000 0.818 421 A HN 0.467 nan 8.150 nan 0.000 0.445 422 L N -1.829 119.210 121.223 -0.307 0.000 2.017 422 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 422 L C 1.890 178.725 176.870 -0.058 0.000 1.073 422 L CA 1.725 56.445 54.840 -0.200 0.000 0.745 422 L CB -0.260 41.676 42.059 -0.204 0.000 0.894 422 L HN 0.649 nan 8.230 nan 0.000 0.432 423 G N -1.722 107.047 108.800 -0.050 0.000 2.192 423 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.193 423 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.193 423 G C 0.021 174.923 174.900 0.004 0.000 0.999 423 G CA -0.120 44.970 45.100 -0.017 0.000 0.659 423 G HN 0.618 nan 8.290 nan 0.000 0.503 424 C N -2.346 116.961 119.300 0.012 0.000 3.275 424 C HA 0.861 5.321 4.460 -0.000 0.000 0.340 424 C C -2.589 172.419 174.990 0.030 0.000 1.366 424 C CA -0.920 58.112 59.018 0.024 0.000 1.227 424 C CB 1.428 29.194 27.740 0.043 0.000 1.512 424 C HN 0.323 nan 8.230 nan 0.000 0.461 425 P HA 0.396 nan 4.420 nan 0.000 0.276 425 P C -0.072 177.252 177.300 0.040 0.000 1.252 425 P CA 0.181 63.296 63.100 0.025 0.000 0.802 425 P CB 1.049 32.753 31.700 0.007 0.000 1.035 426 V N 0.030 119.968 119.914 0.041 0.000 2.686 426 V HA 0.336 4.456 4.120 -0.000 0.000 0.295 426 V C 0.385 176.480 176.094 0.003 0.000 1.057 426 V CA -0.834 61.485 62.300 0.031 0.000 1.012 426 V CB 0.055 31.894 31.823 0.026 0.000 1.006 426 V HN 0.287 nan 8.190 nan 0.000 0.477 427 L N 2.537 123.755 121.223 -0.008 0.000 2.467 427 L HA 0.309 4.649 4.340 -0.000 0.000 0.270 427 L C 0.328 177.173 176.870 -0.041 0.000 1.205 427 L CA -0.037 54.787 54.840 -0.027 0.000 0.828 427 L CB 0.225 42.261 42.059 -0.038 0.000 1.101 427 L HN 0.842 nan 8.230 nan 0.000 0.479 428 D N 0.541 120.924 120.400 -0.028 0.000 2.411 428 D HA 0.109 4.749 4.640 -0.000 0.000 0.225 428 D C 0.933 177.198 176.300 -0.058 0.000 1.156 428 D CA -0.467 53.533 54.000 0.000 0.000 0.874 428 D CB 0.993 41.841 40.800 0.080 0.000 1.034 428 D HN 0.522 nan 8.370 nan 0.000 0.502 429 E N 2.097 122.201 120.200 -0.161 0.000 2.273 429 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 429 E C 1.028 177.490 176.600 -0.230 0.000 1.002 429 E CA 1.147 57.362 56.400 -0.308 0.000 0.828 429 E CB -0.435 29.081 29.700 -0.307 0.000 0.747 429 E HN 0.467 nan 8.360 nan 0.000 0.491 430 F N 1.123 121.141 119.950 0.113 0.000 2.206 430 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 430 F C 2.638 178.455 175.800 0.028 0.000 1.090 430 F CA 1.307 59.454 58.000 0.246 0.000 1.323 430 F CB -0.479 38.701 39.000 0.300 0.000 1.028 430 F HN 0.056 nan 8.300 nan 0.000 0.492 431 Q N 0.515 120.406 119.800 0.150 0.000 2.167 431 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 431 Q C 2.168 178.089 176.000 -0.132 0.000 0.970 431 Q CA 1.205 57.018 55.803 0.016 0.000 0.855 431 Q CB -0.120 28.630 28.738 0.020 0.000 0.911 431 Q HN 0.445 nan 8.270 nan 0.000 0.438 432 L N -0.450 120.637 121.223 -0.227 0.000 1.976 432 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 432 L C 2.335 178.957 176.870 -0.413 0.000 1.071 432 L CA 1.435 56.068 54.840 -0.345 0.000 0.746 432 L CB -0.825 40.936 42.059 -0.496 0.000 0.890 432 L HN 0.266 nan 8.230 nan 0.000 0.432 433 Y N 0.071 120.149 120.300 -0.369 0.000 2.165 433 Y HA -0.322 4.228 4.550 -0.000 0.000 0.286 433 Y C 2.820 178.139 175.900 -0.968 0.000 1.155 433 Y CA 1.593 59.302 58.100 -0.652 0.000 1.164 433 Y CB -0.840 37.061 38.460 -0.931 0.000 0.978 433 Y HN 0.273 nan 8.280 nan 0.000 0.513 434 Q N 0.645 119.855 119.800 -0.983 0.000 2.061 434 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 434 Q C 1.876 177.691 176.000 -0.309 0.000 0.984 434 Q CA 2.171 57.449 55.803 -0.875 0.000 0.846 434 Q CB -0.118 28.392 28.738 -0.379 0.000 0.902 434 Q HN 0.593 nan 8.270 nan 0.000 0.421 435 E N 0.223 120.298 120.200 -0.208 0.000 2.058 435 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 435 E C 2.019 178.579 176.600 -0.065 0.000 0.997 435 E CA 0.993 57.335 56.400 -0.097 0.000 0.801 435 E CB -0.252 29.396 29.700 -0.087 0.000 0.746 435 E HN 0.516 nan 8.360 nan 0.000 0.450 436 A N 1.599 124.362 122.820 -0.094 0.000 1.892 436 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 436 A C 2.116 179.726 177.584 0.043 0.000 1.188 436 A CA 1.940 53.962 52.037 -0.024 0.000 0.631 436 A CB -0.590 18.397 19.000 -0.021 0.000 0.822 436 A HN 0.320 nan 8.150 nan 0.000 0.447 437 E N -0.438 119.788 120.200 0.044 0.000 2.106 437 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 437 E C 1.932 178.658 176.600 0.209 0.000 0.984 437 E CA 1.319 57.848 56.400 0.214 0.000 0.806 437 E CB -0.132 29.793 29.700 0.374 0.000 0.750 437 E HN 0.753 nan 8.360 nan 0.000 0.458 438 E N 0.157 120.428 120.200 0.119 0.000 2.106 438 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 438 E C 2.211 178.862 176.600 0.085 0.000 0.984 438 E CA 0.595 57.056 56.400 0.103 0.000 0.806 438 E CB -0.031 29.708 29.700 0.066 0.000 0.750 438 E HN 0.122 nan 8.360 nan 0.000 0.458 439 R N 0.694 121.234 120.500 0.067 0.000 2.103 439 R HA -0.172 4.168 4.340 -0.000 0.000 0.242 439 R C 2.448 178.798 176.300 0.083 0.000 1.142 439 R CA 1.928 58.063 56.100 0.058 0.000 0.960 439 R CB -0.179 30.145 30.300 0.041 0.000 0.858 439 R HN 0.178 nan 8.270 nan 0.000 0.439 440 S N -0.044 115.730 115.700 0.123 0.000 2.428 440 S HA -0.070 4.400 4.470 -0.000 0.000 0.230 440 S C 1.688 176.387 174.600 0.165 0.000 1.014 440 S CA 0.803 59.096 58.200 0.156 0.000 0.957 440 S CB -0.041 63.286 63.200 0.213 0.000 0.784 440 S HN 0.332 nan 8.310 nan 0.000 0.499 441 K N 0.886 121.375 120.400 0.147 0.000 2.148 441 K HA 0.086 4.406 4.320 -0.000 0.000 0.204 441 K C 2.587 179.219 176.600 0.054 0.000 1.050 441 K CA 0.813 57.143 56.287 0.072 0.000 0.942 441 K CB -0.123 32.390 32.500 0.021 0.000 0.724 441 K HN 0.377 nan 8.250 nan 0.000 0.446 442 R N 0.430 120.966 120.500 0.060 0.000 2.062 442 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 442 R C 2.357 178.686 176.300 0.049 0.000 1.128 442 R CA 0.918 57.046 56.100 0.047 0.000 0.960 442 R CB -0.189 30.137 30.300 0.043 0.000 0.855 442 R HN 0.106 nan 8.270 nan 0.000 0.432 443 R N 0.256 120.792 120.500 0.059 0.000 2.159 443 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 443 R C 1.662 177.996 176.300 0.058 0.000 1.131 443 R CA 1.421 57.555 56.100 0.057 0.000 0.982 443 R CB -0.090 30.250 30.300 0.068 0.000 0.868 443 R HN 0.283 nan 8.270 nan 0.000 0.453 444 C N -1.722 117.620 119.300 0.069 0.000 2.551 444 C HA 0.324 4.784 4.460 -0.000 0.000 0.277 444 C C 1.284 176.301 174.990 0.044 0.000 1.349 444 C CA 0.475 59.534 59.018 0.068 0.000 1.750 444 C CB 0.347 28.147 27.740 0.099 0.000 2.058 444 C HN 0.766 nan 8.230 nan 0.000 0.518 445 G N 0.406 109.229 108.800 0.039 0.000 2.189 445 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.113 445 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.113 445 G C -0.494 174.428 174.900 0.036 0.000 1.038 445 G CA -0.361 44.761 45.100 0.036 0.000 0.704 445 G HN 0.385 nan 8.290 nan 0.000 0.490 446 L N 0.000 121.239 121.223 0.026 0.000 2.949 446 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 446 L CA 0.000 54.846 54.840 0.010 0.000 0.813 446 L CB 0.000 42.035 42.059 -0.041 0.000 0.961 446 L HN 0.000 nan 8.230 nan 0.000 0.502