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 1w62_1_A DATA FIRST_RESID 33 DATA SEQUENCE HQQKREIMRF KKSFTCIDMH TEGEAARIVT SGLPHIPGSN MAEKKAYLQE DATA SEQUENCE NMDYLRRGIM LEPRGHDDMF GAFLFDPIEE GADLGIVFMD TGGYLNMCGH DATA SEQUENCE NSIAAVTAAV ETGIVSVPAK ATNVPVVLDT PAGLVRGTAH LQSGTESEVS DATA SEQUENCE NASIINVPSF LYQQDVVVVL PKPYGEVRVD IAFGGNFFAI VPAEQLGIDI DATA SEQUENCE SVQNLSRLQE AGELLRTEIN RSVKVQHPQL PHINTVDCVE IYGPPTNPEA DATA SEQUENCE NYKNVVIFGN RQADRSPCGT GTSAKMATLY AKGQLRIGET FVYESILGSL DATA SEQUENCE FQGRVLGEER IPGVKVPVTK DAEEGMLVVT AEITGKAFIM GFNTMLFDPT DATA SEQUENCE DPFKNGFTLK QY 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 33 H HA 0.000 nan 4.556 nan 0.000 0.296 33 H C 0.000 175.333 175.328 0.008 0.000 0.993 33 H CA 0.000 56.051 56.048 0.005 0.000 1.023 33 H CB 0.000 nan 29.762 nan 0.000 1.292 34 Q N 0.349 120.156 119.800 0.012 0.000 2.265 34 Q HA 0.439 4.745 4.340 -0.055 0.000 0.217 34 Q C 1.886 177.898 176.000 0.020 0.000 0.916 34 Q CA 1.801 57.615 55.803 0.018 0.000 0.948 34 Q CB -1.534 nan 28.738 nan 0.000 1.020 34 Q HN 1.603 nan 8.270 nan 0.000 0.462 35 Q N -0.371 119.435 119.800 0.011 0.000 2.297 35 Q HA -0.004 4.303 4.340 -0.055 0.000 0.204 35 Q C 2.402 178.406 176.000 0.008 0.000 0.962 35 Q CA 1.837 57.642 55.803 0.003 0.000 0.879 35 Q CB -1.048 nan 28.738 nan 0.000 0.947 35 Q HN 0.944 nan 8.270 nan 0.000 0.462 36 K N 0.319 120.727 120.400 0.013 0.000 2.148 36 K HA 0.010 4.297 4.320 -0.055 0.000 0.204 36 K C 2.485 179.107 176.600 0.037 0.000 1.050 36 K CA 1.797 58.096 56.287 0.020 0.000 0.942 36 K CB -1.370 nan 32.500 nan 0.000 0.724 36 K HN 0.812 nan 8.250 nan 0.000 0.446 37 R N 1.594 122.119 120.500 0.042 0.000 2.148 37 R HA -0.051 4.256 4.340 -0.055 0.000 0.227 37 R C 2.149 178.506 176.300 0.096 0.000 1.103 37 R CA 1.613 57.748 56.100 0.059 0.000 0.983 37 R CB -0.686 29.645 30.300 0.050 0.000 0.874 37 R HN 0.696 nan 8.270 nan 0.000 0.451 38 E N 0.458 120.716 120.200 0.097 0.000 2.076 38 E HA -0.026 4.291 4.350 -0.055 0.000 0.190 38 E C 2.170 178.875 176.600 0.175 0.000 0.979 38 E CA 0.847 57.344 56.400 0.162 0.000 0.807 38 E CB -0.070 29.668 29.700 0.063 0.000 0.761 38 E HN 0.454 nan 8.360 nan 0.000 0.454 39 I N 1.674 122.288 120.570 0.074 0.000 2.091 39 I HA -0.298 3.838 4.170 -0.055 0.000 0.239 39 I C 2.527 178.722 176.117 0.129 0.000 1.061 39 I CA 1.288 62.629 61.300 0.068 0.000 1.317 39 I CB -1.382 36.635 38.000 0.029 0.000 1.031 39 I HN 0.174 nan 8.210 nan 0.000 0.401 40 M N 0.625 120.288 119.600 0.104 0.000 2.088 40 M HA -0.271 4.176 4.480 -0.055 0.000 0.256 40 M C 2.474 178.846 176.300 0.121 0.000 1.071 40 M CA 1.888 57.244 55.300 0.094 0.000 1.097 40 M CB -0.724 31.917 32.600 0.067 0.000 1.315 40 M HN 0.218 nan 8.290 nan 0.000 0.406 41 R N -1.052 119.544 120.500 0.159 0.000 2.127 41 R HA -0.161 4.146 4.340 -0.055 0.000 0.238 41 R C 1.701 178.021 176.300 0.033 0.000 1.134 41 R CA 1.545 57.707 56.100 0.105 0.000 0.975 41 R CB -0.241 30.130 30.300 0.119 0.000 0.865 41 R HN 0.389 nan 8.270 nan 0.000 0.447 42 F N 0.571 120.542 119.950 0.035 0.000 2.727 42 F HA 0.149 4.643 4.527 -0.055 0.000 0.302 42 F C 0.547 176.366 175.800 0.031 0.000 1.097 42 F CA -0.172 57.850 58.000 0.037 0.000 1.330 42 F CB 0.396 39.409 39.000 0.022 0.000 1.084 42 F HN -0.358 nan 8.300 nan 0.000 0.578 43 K N 1.567 122.065 120.400 0.164 0.000 2.447 43 K HA -0.012 4.275 4.320 -0.055 0.000 0.281 43 K C 0.542 177.184 176.600 0.070 0.000 1.031 43 K CA 0.307 56.650 56.287 0.094 0.000 1.019 43 K CB 0.285 32.829 32.500 0.074 0.000 0.918 43 K HN 0.165 nan 8.250 nan 0.000 0.476 44 K N -0.435 119.967 120.400 0.002 0.000 3.291 44 K HA -0.159 4.128 4.320 -0.055 0.000 0.290 44 K C -0.056 176.479 176.600 -0.108 0.000 1.235 44 K CA 1.003 57.237 56.287 -0.089 0.000 0.848 44 K CB -1.599 30.888 32.500 -0.023 0.000 1.295 44 K HN 0.837 nan 8.250 nan 0.000 0.497 45 S N -0.433 115.238 115.700 -0.049 0.000 2.669 45 S HA 0.748 5.185 4.470 -0.055 0.000 0.270 45 S C -0.088 174.405 174.600 -0.179 0.000 1.225 45 S CA -0.716 57.534 58.200 0.083 0.000 0.991 45 S CB 0.934 64.199 63.200 0.108 0.000 0.987 45 S HN 0.168 nan 8.310 nan 0.000 0.552 46 F N 0.081 120.193 119.950 0.269 0.000 2.551 46 F HA 0.477 4.971 4.527 -0.055 0.000 0.316 46 F C 0.569 176.468 175.800 0.164 0.000 1.089 46 F CA -0.651 57.469 58.000 0.201 0.000 0.915 46 F CB 2.493 41.628 39.000 0.225 0.000 1.186 46 F HN 0.802 nan 8.300 nan 0.000 0.456 47 T N -0.498 114.238 114.554 0.304 0.000 2.837 47 T HA 0.702 5.019 4.350 -0.055 0.000 0.285 47 T C -0.555 174.272 174.700 0.211 0.000 0.984 47 T CA -0.626 61.611 62.100 0.229 0.000 1.049 47 T CB 0.582 69.555 68.868 0.174 0.000 0.947 47 T HN 0.651 nan 8.240 nan 0.000 0.472 48 C N 3.141 122.552 119.300 0.184 0.000 2.707 48 C HA 0.666 5.093 4.460 -0.055 0.000 0.313 48 C C 0.077 175.164 174.990 0.162 0.000 1.209 48 C CA -1.331 57.768 59.018 0.135 0.000 1.635 48 C CB 0.381 28.167 27.740 0.076 0.000 2.206 48 C HN 0.943 nan 8.230 nan 0.000 0.485 49 I N 2.172 122.817 120.570 0.126 0.000 2.291 49 I HA 0.177 4.314 4.170 -0.055 0.000 0.290 49 I C -0.462 175.657 176.117 0.004 0.000 1.050 49 I CA 0.405 61.751 61.300 0.076 0.000 1.245 49 I CB 0.214 38.276 38.000 0.103 0.000 1.405 49 I HN 0.581 nan 8.210 nan 0.000 0.478 50 D N 8.165 128.542 120.400 -0.038 0.000 2.317 50 D HA 0.454 5.060 4.640 -0.055 0.000 0.252 50 D C -0.141 176.148 176.300 -0.018 0.000 1.174 50 D CA 0.409 54.403 54.000 -0.010 0.000 0.866 50 D CB 0.977 41.776 40.800 -0.002 0.000 1.127 50 D HN 0.349 nan 8.370 nan 0.000 0.467 51 M N 1.524 121.152 119.600 0.046 0.000 2.691 51 M HA 0.419 4.865 4.480 -0.055 0.000 0.293 51 M C -0.799 175.602 176.300 0.167 0.000 1.259 51 M CA -0.990 54.346 55.300 0.059 0.000 0.827 51 M CB 2.560 35.182 32.600 0.037 0.000 1.753 51 M HN 0.427 nan 8.290 nan 0.000 0.465 52 H N -1.947 117.204 119.070 0.135 0.000 2.894 52 H HA 0.550 5.072 4.556 -0.055 0.000 0.367 52 H C -1.658 173.790 175.328 0.199 0.000 1.144 52 H CA -0.753 55.382 56.048 0.146 0.000 1.180 52 H CB 1.255 31.076 29.762 0.098 0.000 1.758 52 H HN 0.432 nan 8.280 nan 0.000 0.541 53 T N 3.583 118.291 114.554 0.257 0.000 2.910 53 T HA 0.175 4.491 4.350 -0.055 0.000 0.323 53 T C -0.297 174.595 174.700 0.320 0.000 1.091 53 T CA -0.512 61.746 62.100 0.264 0.000 0.960 53 T CB -0.301 68.763 68.868 0.326 0.000 1.024 53 T HN 0.854 nan 8.240 nan 0.000 0.509 54 E N 1.973 122.428 120.200 0.425 0.000 2.360 54 E HA -0.271 4.045 4.350 -0.055 0.000 0.238 54 E C 1.148 177.835 176.600 0.145 0.000 1.186 54 E CA 0.591 57.167 56.400 0.293 0.000 0.719 54 E CB -1.551 28.228 29.700 0.131 0.000 1.236 54 E HN 1.134 nan 8.360 nan 0.000 0.386 55 G N -0.115 108.811 108.800 0.210 0.000 2.254 55 G HA2 -0.331 3.596 3.960 -0.055 0.000 0.225 55 G HA3 -0.331 3.596 3.960 -0.055 0.000 0.225 55 G C 0.045 174.897 174.900 -0.079 0.000 1.003 55 G CA 0.152 45.172 45.100 -0.134 0.000 0.622 55 G HN 0.309 nan 8.290 nan 0.000 0.507 56 E N 1.556 121.737 120.200 -0.032 0.000 2.167 56 E HA 0.696 5.012 4.350 -0.055 0.000 0.284 56 E C 0.650 177.239 176.600 -0.019 0.000 1.016 56 E CA 0.399 56.709 56.400 -0.149 0.000 0.817 56 E CB 0.770 30.180 29.700 -0.483 0.000 1.080 56 E HN 0.948 nan 8.360 nan 0.000 0.397 57 A N 3.600 126.464 122.820 0.074 0.000 2.445 57 A HA 0.534 4.821 4.320 -0.055 0.000 0.242 57 A C -0.127 177.654 177.584 0.328 0.000 1.075 57 A CA 0.315 52.469 52.037 0.195 0.000 0.777 57 A CB 0.340 19.439 19.000 0.165 0.000 1.013 57 A HN 0.732 nan 8.150 nan 0.000 0.493 58 A N 2.586 125.592 122.820 0.311 0.000 2.815 58 A HA 0.529 4.815 4.320 -0.055 0.000 0.318 58 A C 0.048 177.744 177.584 0.186 0.000 1.186 58 A CA -0.561 51.687 52.037 0.351 0.000 0.754 58 A CB 0.204 19.392 19.000 0.312 0.000 1.151 58 A HN 0.902 nan 8.150 nan 0.000 0.452 59 R N 3.346 123.919 120.500 0.122 0.000 2.272 59 R HA 0.418 4.724 4.340 -0.055 0.000 0.334 59 R C -1.048 175.231 176.300 -0.034 0.000 1.117 59 R CA -0.151 55.959 56.100 0.017 0.000 0.966 59 R CB -0.097 30.176 30.300 -0.046 0.000 1.049 59 R HN 0.622 nan 8.270 nan 0.000 0.477 60 I N 5.771 126.339 120.570 -0.004 0.000 2.301 60 I HA 0.116 4.252 4.170 -0.055 0.000 0.292 60 I C -0.194 175.903 176.117 -0.035 0.000 1.046 60 I CA -0.799 60.487 61.300 -0.023 0.000 1.282 60 I CB 1.583 39.598 38.000 0.025 0.000 1.409 60 I HN 0.332 nan 8.210 nan 0.000 0.484 61 V N 6.256 126.104 119.914 -0.111 0.000 2.455 61 V HA 0.068 4.155 4.120 -0.055 0.000 0.273 61 V C 1.254 177.372 176.094 0.039 0.000 1.045 61 V CA 0.062 62.343 62.300 -0.032 0.000 0.976 61 V CB 1.010 32.757 31.823 -0.127 0.000 0.993 61 V HN 0.903 nan 8.190 nan 0.000 0.475 62 T N -0.060 114.548 114.554 0.090 0.000 3.015 62 T HA 0.218 4.534 4.350 -0.055 0.000 0.250 62 T C 0.618 175.365 174.700 0.077 0.000 1.057 62 T CA 0.463 62.604 62.100 0.068 0.000 1.066 62 T CB 0.302 69.220 68.868 0.084 0.000 0.959 62 T HN 0.785 nan 8.240 nan 0.000 0.488 63 S N -1.361 114.423 115.700 0.140 0.000 2.615 63 S HA 0.633 5.070 4.470 -0.055 0.000 0.269 63 S C 0.545 175.257 174.600 0.186 0.000 1.161 63 S CA -0.039 58.235 58.200 0.123 0.000 0.817 63 S CB 1.253 64.496 63.200 0.071 0.000 1.131 63 S HN 1.190 nan 8.310 nan 0.000 0.467 64 G N -0.056 108.780 108.800 0.059 0.000 2.253 64 G HA2 -0.132 3.794 3.960 -0.055 0.000 0.209 64 G HA3 -0.132 3.794 3.960 -0.055 0.000 0.209 64 G C -0.147 174.677 174.900 -0.127 0.000 0.997 64 G CA -0.162 44.843 45.100 -0.158 0.000 0.640 64 G HN 0.884 nan 8.290 nan 0.000 0.496 65 L N 3.030 124.332 121.223 0.132 0.000 2.426 65 L HA 0.377 4.684 4.340 -0.055 0.000 0.271 65 L C -0.403 176.469 176.870 0.002 0.000 1.169 65 L CA -1.375 53.507 54.840 0.070 0.000 0.836 65 L CB 0.504 42.516 42.059 -0.079 0.000 1.112 65 L HN 0.183 nan 8.230 nan 0.000 0.465 66 P HA 0.067 nan 4.420 nan 0.000 0.302 66 P C -0.647 176.682 177.300 0.048 0.000 1.307 66 P CA -0.534 62.579 63.100 0.022 0.000 0.754 66 P CB 0.316 32.027 31.700 0.018 0.000 1.298 67 H N 0.400 119.451 119.070 -0.031 0.000 2.964 67 H HA 0.082 4.605 4.556 -0.055 0.000 0.328 67 H C -0.609 174.640 175.328 -0.133 0.000 1.030 67 H CA 0.050 56.068 56.048 -0.050 0.000 1.445 67 H CB 0.259 29.984 29.762 -0.062 0.000 1.449 67 H HN 0.082 nan 8.280 nan 0.000 0.581 68 I N 8.591 128.757 120.570 -0.673 0.000 2.354 68 I HA 0.210 4.347 4.170 -0.055 0.000 0.286 68 I C -2.159 173.358 176.117 -0.999 0.000 1.007 68 I CA -2.899 57.952 61.300 -0.747 0.000 1.167 68 I CB 0.863 38.627 38.000 -0.394 0.000 1.320 68 I HN 0.478 nan 8.210 nan 0.000 0.458 69 P HA 0.350 nan 4.420 nan 0.000 0.267 69 P C 0.010 177.076 177.300 -0.391 0.000 1.200 69 P CA 0.220 62.969 63.100 -0.584 0.000 0.772 69 P CB 0.661 32.109 31.700 -0.420 0.000 0.855 70 G N 0.533 109.194 108.800 -0.233 0.000 2.326 70 G HA2 0.055 3.982 3.960 -0.055 0.000 0.299 70 G HA3 0.055 3.982 3.960 -0.055 0.000 0.299 70 G C 0.407 175.214 174.900 -0.155 0.000 1.643 70 G CA -0.511 44.477 45.100 -0.187 0.000 0.916 70 G HN 0.222 nan 8.290 nan 0.000 0.700 71 S N 0.348 115.981 115.700 -0.111 0.000 2.489 71 S HA 0.078 4.515 4.470 -0.055 0.000 0.228 71 S C 1.016 175.556 174.600 -0.100 0.000 0.995 71 S CA 1.424 59.574 58.200 -0.084 0.000 0.934 71 S CB -0.243 62.920 63.200 -0.061 0.000 0.771 71 S HN 1.187 nan 8.310 nan 0.000 0.522 72 N N -1.429 117.186 118.700 -0.140 0.000 3.020 72 N HA 0.300 5.007 4.740 -0.055 0.000 0.248 72 N C 0.146 175.529 175.510 -0.212 0.000 1.480 72 N CA -0.778 52.185 53.050 -0.146 0.000 0.874 72 N CB -0.045 38.373 38.487 -0.116 0.000 1.433 72 N HN -0.300 nan 8.380 nan 0.000 0.530 73 M N -0.165 119.317 119.600 -0.197 0.000 2.254 73 M HA 0.086 4.533 4.480 -0.055 0.000 0.265 73 M C 1.831 177.989 176.300 -0.238 0.000 1.066 73 M CA 1.555 56.712 55.300 -0.238 0.000 1.123 73 M CB -1.512 30.999 32.600 -0.148 0.000 1.388 73 M HN 0.841 nan 8.290 nan 0.000 0.425 74 A N 0.452 123.120 122.820 -0.252 0.000 1.883 74 A HA -0.188 4.099 4.320 -0.055 0.000 0.217 74 A C 2.087 179.494 177.584 -0.295 0.000 1.186 74 A CA 1.803 53.615 52.037 -0.374 0.000 0.624 74 A CB -0.709 17.863 19.000 -0.713 0.000 0.822 74 A HN 0.554 nan 8.150 nan 0.000 0.444 75 E N -0.380 119.673 120.200 -0.245 0.000 2.150 75 E HA -0.141 4.176 4.350 -0.055 0.000 0.193 75 E C 1.991 178.486 176.600 -0.176 0.000 0.985 75 E CA 1.019 57.311 56.400 -0.179 0.000 0.814 75 E CB -0.093 29.521 29.700 -0.143 0.000 0.752 75 E HN 0.569 nan 8.360 nan 0.000 0.466 76 K N 0.892 121.132 120.400 -0.267 0.000 2.148 76 K HA -0.148 4.138 4.320 -0.055 0.000 0.204 76 K C 2.161 178.617 176.600 -0.240 0.000 1.050 76 K CA 0.916 57.001 56.287 -0.336 0.000 0.942 76 K CB -0.037 32.070 32.500 -0.655 0.000 0.724 76 K HN -0.022 nan 8.250 nan 0.000 0.446 77 K N 1.164 121.423 120.400 -0.236 0.000 2.062 77 K HA -0.064 4.223 4.320 -0.055 0.000 0.205 77 K C 2.121 178.515 176.600 -0.345 0.000 1.051 77 K CA 1.131 57.263 56.287 -0.258 0.000 0.941 77 K CB -0.059 32.346 32.500 -0.158 0.000 0.719 77 K HN 0.053 nan 8.250 nan 0.000 0.440 78 A N 0.375 123.063 122.820 -0.221 0.000 1.898 78 A HA -0.157 4.130 4.320 -0.055 0.000 0.216 78 A C 2.061 179.543 177.584 -0.171 0.000 1.181 78 A CA 1.211 53.136 52.037 -0.186 0.000 0.620 78 A CB -0.920 18.013 19.000 -0.113 0.000 0.819 78 A HN 0.585 nan 8.150 nan 0.000 0.442 79 Y N 0.350 120.522 120.300 -0.213 0.000 2.165 79 Y HA -0.198 4.319 4.550 -0.055 0.000 0.286 79 Y C 1.979 177.770 175.900 -0.181 0.000 1.155 79 Y CA 2.003 59.999 58.100 -0.174 0.000 1.164 79 Y CB -0.206 38.145 38.460 -0.182 0.000 0.978 79 Y HN 0.228 nan 8.280 nan 0.000 0.513 80 L N -0.024 121.173 121.223 -0.043 0.000 2.141 80 L HA -0.230 4.077 4.340 -0.055 0.000 0.209 80 L C 2.674 179.437 176.870 -0.180 0.000 1.094 80 L CA 1.624 56.413 54.840 -0.085 0.000 0.763 80 L CB -0.495 41.484 42.059 -0.133 0.000 0.908 80 L HN 0.341 nan 8.230 nan 0.000 0.437 81 Q N 0.050 119.636 119.800 -0.357 0.000 2.096 81 Q HA -0.192 4.114 4.340 -0.055 0.000 0.197 81 Q C 1.902 177.844 176.000 -0.096 0.000 0.964 81 Q CA 1.357 57.011 55.803 -0.247 0.000 0.838 81 Q CB 0.179 28.715 28.738 -0.337 0.000 0.906 81 Q HN 0.539 nan 8.270 nan 0.000 0.444 82 E N -0.373 119.728 120.200 -0.166 0.000 2.216 82 E HA -0.053 4.263 4.350 -0.055 0.000 0.192 82 E C 1.210 177.708 176.600 -0.171 0.000 0.988 82 E CA 0.641 56.950 56.400 -0.152 0.000 0.834 82 E CB 0.280 29.867 29.700 -0.188 0.000 0.772 82 E HN 0.371 nan 8.360 nan 0.000 0.479 83 N N -0.928 117.625 118.700 -0.244 0.000 2.360 83 N HA 0.165 4.872 4.740 -0.055 0.000 0.211 83 N C 0.557 176.065 175.510 -0.004 0.000 1.147 83 N CA 0.332 53.253 53.050 -0.215 0.000 0.866 83 N CB 0.794 38.944 38.487 -0.560 0.000 1.206 83 N HN 0.064 nan 8.380 nan 0.000 0.478 84 M N 0.529 120.139 119.600 0.018 0.000 3.114 84 M HA 0.163 4.610 4.480 -0.055 0.000 0.386 84 M C -0.020 176.242 176.300 -0.063 0.000 1.417 84 M CA -0.001 55.342 55.300 0.070 0.000 0.785 84 M CB 1.113 33.722 32.600 0.016 0.000 1.413 84 M HN -0.183 nan 8.290 nan 0.000 0.498 85 D N 0.289 120.743 120.400 0.089 0.000 2.269 85 D HA -0.144 4.462 4.640 -0.055 0.000 0.208 85 D C 1.789 178.131 176.300 0.070 0.000 0.963 85 D CA 1.378 55.452 54.000 0.123 0.000 0.864 85 D CB 0.156 41.056 40.800 0.167 0.000 0.936 85 D HN 0.591 nan 8.370 nan 0.000 0.505 86 Y N -0.548 119.795 120.300 0.072 0.000 2.465 86 Y HA -0.045 4.471 4.550 -0.056 0.000 0.289 86 Y C 1.545 177.475 175.900 0.050 0.000 1.150 86 Y CA 0.588 58.724 58.100 0.059 0.000 1.293 86 Y CB -0.589 37.900 38.460 0.047 0.000 0.977 86 Y HN 0.006 nan 8.280 nan 0.000 0.556 87 L N 0.370 121.206 121.223 -0.645 0.000 2.034 87 L HA -0.080 4.227 4.340 -0.055 0.000 0.203 87 L C 2.922 179.705 176.870 -0.146 0.000 1.074 87 L CA 1.475 56.056 54.840 -0.431 0.000 0.748 87 L CB -0.624 41.203 42.059 -0.388 0.000 0.905 87 L HN 0.145 nan 8.230 nan 0.000 0.439 88 R N 0.578 121.060 120.500 -0.030 0.000 2.134 88 R HA -0.240 4.067 4.340 -0.055 0.000 0.248 88 R C 2.422 178.655 176.300 -0.111 0.000 1.143 88 R CA 1.922 57.973 56.100 -0.082 0.000 0.957 88 R CB -0.169 30.061 30.300 -0.116 0.000 0.867 88 R HN 0.286 nan 8.270 nan 0.000 0.441 89 R N -1.115 119.357 120.500 -0.047 0.000 2.092 89 R HA -0.053 4.254 4.340 -0.055 0.000 0.231 89 R C 2.327 178.639 176.300 0.019 0.000 1.119 89 R CA 1.264 57.357 56.100 -0.012 0.000 0.970 89 R CB -0.278 30.056 30.300 0.055 0.000 0.864 89 R HN 0.442 nan 8.270 nan 0.000 0.440 90 G N 0.551 109.396 108.800 0.074 0.000 2.494 90 G HA2 -0.102 3.825 3.960 -0.055 0.000 0.216 90 G HA3 -0.102 3.825 3.960 -0.055 0.000 0.216 90 G C 1.405 176.424 174.900 0.199 0.000 1.140 90 G CA 0.039 45.264 45.100 0.209 0.000 0.801 90 G HN 0.118 nan 8.290 nan 0.000 0.536 91 I N 0.445 121.063 120.570 0.080 0.000 2.500 91 I HA -0.008 4.129 4.170 -0.055 0.000 0.252 91 I C 2.524 178.579 176.117 -0.104 0.000 1.142 91 I CA 0.671 61.967 61.300 -0.008 0.000 1.451 91 I CB 0.036 37.929 38.000 -0.177 0.000 1.093 91 I HN 0.083 nan 8.210 nan 0.000 0.430 92 M N -0.059 119.456 119.600 -0.142 0.000 2.486 92 M HA 0.224 4.671 4.480 -0.055 0.000 0.264 92 M C 0.869 177.048 176.300 -0.203 0.000 1.125 92 M CA 0.811 55.992 55.300 -0.198 0.000 1.144 92 M CB -0.052 32.409 32.600 -0.232 0.000 1.353 92 M HN 0.036 nan 8.290 nan 0.000 0.466 93 L N 0.139 121.265 121.223 -0.163 0.000 2.332 93 L HA 0.319 4.626 4.340 -0.055 0.000 0.269 93 L C 0.472 177.185 176.870 -0.261 0.000 1.016 93 L CA -0.924 53.792 54.840 -0.207 0.000 0.809 93 L CB 0.922 42.872 42.059 -0.182 0.000 1.280 93 L HN 0.069 nan 8.230 nan 0.000 0.447 94 E N 2.264 122.220 120.200 -0.407 0.000 2.508 94 E HA -0.078 4.239 4.350 -0.055 0.000 0.266 94 E C -1.648 174.566 176.600 -0.644 0.000 1.010 94 E CA -0.858 55.196 56.400 -0.577 0.000 0.955 94 E CB 0.493 29.636 29.700 -0.928 0.000 0.946 94 E HN 0.375 nan 8.360 nan 0.000 0.454 95 P HA 0.011 nan 4.420 nan 0.000 0.245 95 P C 0.687 177.925 177.300 -0.103 0.000 1.203 95 P CA 0.693 63.681 63.100 -0.186 0.000 0.792 95 P CB 0.393 32.085 31.700 -0.013 0.000 0.997 96 R N -0.208 120.237 120.500 -0.092 0.000 2.153 96 R HA 0.147 4.454 4.340 -0.055 0.000 0.218 96 R C 1.652 177.914 176.300 -0.062 0.000 1.072 96 R CA 1.196 57.255 56.100 -0.069 0.000 0.990 96 R CB -0.224 30.038 30.300 -0.064 0.000 0.889 96 R HN 0.243 nan 8.270 nan 0.000 0.452 97 G N -1.161 107.580 108.800 -0.098 0.000 3.252 97 G HA2 0.446 4.373 3.960 -0.055 0.000 0.181 97 G HA3 0.446 4.373 3.960 -0.055 0.000 0.181 97 G C -1.181 173.666 174.900 -0.089 0.000 1.187 97 G CA -0.481 44.538 45.100 -0.134 0.000 0.886 97 G HN 0.414 nan 8.290 nan 0.000 0.615 98 H N -3.490 115.505 119.070 -0.124 0.000 2.967 98 H HA 0.441 4.963 4.556 -0.056 0.000 0.318 98 H C -0.528 174.727 175.328 -0.121 0.000 1.375 98 H CA -0.531 55.436 56.048 -0.135 0.000 1.132 98 H CB 0.435 30.136 29.762 -0.101 0.000 1.848 98 H HN 0.211 nan 8.280 nan 0.000 0.524 99 D N -0.325 120.110 120.400 0.057 0.000 2.357 99 D HA -0.092 4.515 4.640 -0.055 0.000 0.216 99 D C -0.044 176.248 176.300 -0.013 0.000 0.973 99 D CA 1.366 55.359 54.000 -0.012 0.000 0.912 99 D CB 0.042 40.836 40.800 -0.009 0.000 0.900 99 D HN 0.530 nan 8.370 nan 0.000 0.501 100 D N -0.513 119.960 120.400 0.122 0.000 2.599 100 D HA 0.056 4.663 4.640 -0.055 0.000 0.249 100 D C 0.238 176.508 176.300 -0.050 0.000 1.313 100 D CA -0.316 53.717 54.000 0.054 0.000 0.815 100 D CB 0.417 41.306 40.800 0.148 0.000 1.077 100 D HN 0.128 nan 8.370 nan 0.000 0.492 101 M N 0.893 120.259 119.600 -0.390 0.000 2.227 101 M HA 0.465 4.911 4.480 -0.055 0.000 0.316 101 M C -1.222 175.066 176.300 -0.021 0.000 1.144 101 M CA -0.205 54.876 55.300 -0.366 0.000 1.121 101 M CB 0.875 33.116 32.600 -0.598 0.000 1.440 101 M HN -0.083 nan 8.290 nan 0.000 0.473 102 F N 1.168 121.087 119.950 -0.051 0.000 2.668 102 F HA 0.755 5.248 4.527 -0.056 0.000 0.309 102 F C -0.370 175.458 175.800 0.047 0.000 1.117 102 F CA 0.427 58.474 58.000 0.078 0.000 0.951 102 F CB 1.877 41.037 39.000 0.268 0.000 1.323 102 F HN 0.766 nan 8.300 nan 0.000 0.451 103 G N 1.201 109.853 108.800 -0.246 0.000 2.428 103 G HA2 0.764 4.691 3.960 -0.055 0.000 0.305 103 G HA3 0.764 4.691 3.960 -0.055 0.000 0.305 103 G C -2.261 172.555 174.900 -0.140 0.000 1.260 103 G CA -0.190 44.873 45.100 -0.060 0.000 0.853 103 G HN 1.450 nan 8.290 nan 0.000 0.480 104 A N -1.279 121.410 122.820 -0.219 0.000 2.599 104 A HA 0.730 5.017 4.320 -0.055 0.000 0.294 104 A C -1.936 175.399 177.584 -0.415 0.000 1.055 104 A CA -0.664 51.233 52.037 -0.233 0.000 0.683 104 A CB 0.759 19.732 19.000 -0.045 0.000 1.278 104 A HN 0.989 nan 8.150 nan 0.000 0.412 105 F N 1.299 121.173 119.950 -0.127 0.000 2.420 105 F HA 0.570 5.063 4.527 -0.056 0.000 0.342 105 F C 0.423 176.041 175.800 -0.303 0.000 1.113 105 F CA -0.468 57.390 58.000 -0.238 0.000 1.059 105 F CB 1.517 40.341 39.000 -0.292 0.000 1.128 105 F HN 0.409 nan 8.300 nan 0.000 0.475 106 L N 3.441 124.563 121.223 -0.168 0.000 2.399 106 L HA 0.476 4.783 4.340 -0.055 0.000 0.266 106 L C -0.877 175.709 176.870 -0.473 0.000 1.114 106 L CA -0.347 54.391 54.840 -0.171 0.000 0.804 106 L CB 0.871 42.883 42.059 -0.078 0.000 1.146 106 L HN 0.507 nan 8.230 nan 0.000 0.451 107 F N -1.070 118.887 119.950 0.012 0.000 2.626 107 F HA 0.283 4.777 4.527 -0.056 0.000 0.311 107 F C -0.049 175.751 175.800 -0.001 0.000 1.088 107 F CA -1.198 56.803 58.000 0.002 0.000 0.949 107 F CB 1.114 40.098 39.000 -0.027 0.000 1.322 107 F HN 0.357 nan 8.300 nan 0.000 0.461 108 D N 3.173 123.693 120.400 0.200 0.000 2.548 108 D HA 0.037 4.644 4.640 -0.055 0.000 0.231 108 D C -2.229 174.136 176.300 0.109 0.000 1.142 108 D CA -0.333 53.740 54.000 0.122 0.000 0.866 108 D CB 0.043 40.904 40.800 0.101 0.000 1.190 108 D HN 0.059 nan 8.370 nan 0.000 0.469 109 P HA 0.104 nan 4.420 nan 0.000 0.271 109 P C 0.491 177.803 177.300 0.020 0.000 1.218 109 P CA -0.045 63.078 63.100 0.038 0.000 0.780 109 P CB 1.085 32.802 31.700 0.027 0.000 0.901 110 I N -0.667 119.902 120.570 -0.001 0.000 3.194 110 I HA 0.091 4.228 4.170 -0.055 0.000 0.271 110 I C 1.122 177.233 176.117 -0.010 0.000 1.150 110 I CA 0.200 61.492 61.300 -0.013 0.000 1.440 110 I CB -0.221 37.755 38.000 -0.040 0.000 1.276 110 I HN 0.318 nan 8.210 nan 0.000 0.457 111 E N 2.649 122.843 120.200 -0.009 0.000 2.413 111 E HA -0.033 4.283 4.350 -0.055 0.000 0.263 111 E C -0.175 176.426 176.600 0.002 0.000 1.015 111 E CA 0.312 56.710 56.400 -0.004 0.000 0.916 111 E CB 0.357 30.057 29.700 -0.000 0.000 0.947 111 E HN 0.067 nan 8.360 nan 0.000 0.440 112 E N 1.874 122.076 120.200 0.003 0.000 2.324 112 E HA 0.247 4.564 4.350 -0.055 0.000 0.271 112 E C 0.439 177.043 176.600 0.006 0.000 1.028 112 E CA 0.818 57.220 56.400 0.004 0.000 0.890 112 E CB 0.416 30.118 29.700 0.003 0.000 1.004 112 E HN 0.832 nan 8.360 nan 0.000 0.431 113 G N 2.472 111.276 108.800 0.006 0.000 2.218 113 G HA2 -0.243 3.683 3.960 -0.055 0.000 0.216 113 G HA3 -0.243 3.683 3.960 -0.055 0.000 0.216 113 G C 0.222 175.127 174.900 0.008 0.000 0.994 113 G CA -0.125 44.980 45.100 0.007 0.000 0.637 113 G HN 0.750 nan 8.290 nan 0.000 0.505 114 A N 0.380 123.206 122.820 0.010 0.000 2.327 114 A HA 0.636 4.923 4.320 -0.055 0.000 0.283 114 A C 0.976 178.568 177.584 0.013 0.000 1.127 114 A CA 0.519 52.563 52.037 0.012 0.000 0.810 114 A CB 0.511 19.520 19.000 0.015 0.000 1.066 114 A HN 0.136 nan 8.150 nan 0.000 0.492 115 D N 0.738 121.146 120.400 0.013 0.000 2.240 115 D HA 0.129 4.736 4.640 -0.055 0.000 0.206 115 D C 0.076 176.389 176.300 0.022 0.000 0.963 115 D CA 1.194 55.202 54.000 0.014 0.000 0.863 115 D CB 0.226 41.031 40.800 0.008 0.000 0.973 115 D HN 0.407 nan 8.370 nan 0.000 0.501 116 L N -0.073 121.166 121.223 0.026 0.000 2.445 116 L HA 0.484 4.790 4.340 -0.055 0.000 0.262 116 L C -0.057 176.840 176.870 0.046 0.000 0.974 116 L CA -0.931 53.931 54.840 0.037 0.000 0.822 116 L CB 2.717 44.792 42.059 0.027 0.000 1.339 116 L HN -0.151 nan 8.230 nan 0.000 0.409 117 G N 2.081 110.932 108.800 0.085 0.000 2.367 117 G HA2 0.692 4.619 3.960 -0.055 0.000 0.314 117 G HA3 0.692 4.619 3.960 -0.055 0.000 0.314 117 G C -1.345 173.635 174.900 0.134 0.000 1.130 117 G CA -0.300 44.867 45.100 0.111 0.000 0.864 117 G HN 0.531 nan 8.290 nan 0.000 0.486 118 I N 1.187 121.783 120.570 0.042 0.000 2.752 118 I HA 0.537 4.674 4.170 -0.055 0.000 0.295 118 I C -1.348 174.640 176.117 -0.215 0.000 1.219 118 I CA -0.818 60.421 61.300 -0.102 0.000 1.030 118 I CB 2.355 40.159 38.000 -0.326 0.000 1.259 118 I HN 0.319 nan 8.210 nan 0.000 0.423 119 V N 7.339 127.180 119.914 -0.123 0.000 2.531 119 V HA 0.488 4.575 4.120 -0.055 0.000 0.301 119 V C -0.617 175.378 176.094 -0.164 0.000 1.034 119 V CA -0.398 61.861 62.300 -0.069 0.000 0.865 119 V CB 1.673 33.656 31.823 0.265 0.000 0.995 119 V HN 0.483 nan 8.190 nan 0.000 0.424 120 F N 5.192 125.250 119.950 0.179 0.000 2.403 120 F HA 0.810 5.304 4.527 -0.056 0.000 0.326 120 F C 0.422 176.194 175.800 -0.046 0.000 1.081 120 F CA -0.642 57.386 58.000 0.047 0.000 1.041 120 F CB 1.488 40.564 39.000 0.126 0.000 1.234 120 F HN 0.481 nan 8.300 nan 0.000 0.503 121 M N 0.596 120.065 119.600 -0.217 0.000 2.622 121 M HA 0.747 5.194 4.480 -0.055 0.000 0.276 121 M C -2.212 173.622 176.300 -0.776 0.000 1.265 121 M CA -0.741 54.261 55.300 -0.497 0.000 0.850 121 M CB 3.001 35.302 32.600 -0.497 0.000 1.720 121 M HN 0.657 nan 8.290 nan 0.000 0.465 122 D N -1.137 118.922 120.400 -0.568 0.000 3.103 122 D HA 0.350 4.957 4.640 -0.055 0.000 0.337 122 D C 0.261 176.393 176.300 -0.281 0.000 1.356 122 D CA 0.115 53.881 54.000 -0.390 0.000 0.951 122 D CB 0.578 41.335 40.800 -0.071 0.000 1.438 122 D HN 0.764 nan 8.370 nan 0.000 0.562 123 T N -3.812 110.617 114.554 -0.210 0.000 3.113 123 T HA 0.330 4.647 4.350 -0.055 0.000 0.256 123 T C 1.362 175.964 174.700 -0.163 0.000 1.131 123 T CA 0.831 62.814 62.100 -0.195 0.000 1.074 123 T CB -0.222 68.530 68.868 -0.193 0.000 0.944 123 T HN 0.537 nan 8.240 nan 0.000 0.516 124 G N -0.065 108.642 108.800 -0.154 0.000 2.881 124 G HA2 0.627 4.554 3.960 -0.055 0.000 0.198 124 G HA3 0.627 4.554 3.960 -0.055 0.000 0.198 124 G C 0.603 175.453 174.900 -0.083 0.000 1.081 124 G CA 0.253 45.293 45.100 -0.101 0.000 0.787 124 G HN 0.802 nan 8.290 nan 0.000 0.622 125 G N -1.045 107.679 108.800 -0.126 0.000 2.818 125 G HA2 0.419 4.346 3.960 -0.055 0.000 0.109 125 G HA3 0.419 4.346 3.960 -0.055 0.000 0.109 125 G C -1.838 172.856 174.900 -0.343 0.000 1.206 125 G CA -0.541 44.470 45.100 -0.148 0.000 1.243 125 G HN 0.084 nan 8.290 nan 0.000 0.609 126 Y N 1.025 121.368 120.300 0.072 0.000 2.402 126 Y HA 0.575 5.092 4.550 -0.056 0.000 0.325 126 Y C 0.303 176.287 175.900 0.141 0.000 1.009 126 Y CA -0.644 57.514 58.100 0.097 0.000 1.278 126 Y CB 1.467 39.985 38.460 0.097 0.000 1.105 126 Y HN 0.277 nan 8.280 nan 0.000 0.476 127 L N 3.311 124.690 121.223 0.260 0.000 2.456 127 L HA 0.133 4.440 4.340 -0.055 0.000 0.272 127 L C 1.160 178.205 176.870 0.292 0.000 1.189 127 L CA -0.057 54.913 54.840 0.216 0.000 0.846 127 L CB 0.650 42.785 42.059 0.126 0.000 1.111 127 L HN 0.707 nan 8.230 nan 0.000 0.475 128 N N 1.702 120.537 118.700 0.226 0.000 2.396 128 N HA 0.001 4.708 4.740 -0.055 0.000 0.180 128 N C 0.105 175.783 175.510 0.279 0.000 1.028 128 N CA 1.021 54.237 53.050 0.276 0.000 0.893 128 N CB 0.308 38.952 38.487 0.262 0.000 0.967 128 N HN 0.460 nan 8.380 nan 0.000 0.440 129 M N -0.491 119.173 119.600 0.106 0.000 2.520 129 M HA 0.238 4.684 4.480 -0.055 0.000 0.283 129 M C -1.653 174.361 176.300 -0.477 0.000 1.237 129 M CA -0.637 54.621 55.300 -0.069 0.000 0.885 129 M CB 2.452 35.003 32.600 -0.082 0.000 1.727 129 M HN -0.108 nan 8.290 nan 0.000 0.468 130 C N 1.284 120.017 119.300 -0.944 0.000 2.705 130 C HA 0.628 5.055 4.460 -0.055 0.000 0.369 130 C C 1.294 175.852 174.990 -0.718 0.000 1.069 130 C CA 0.037 58.494 59.018 -0.936 0.000 1.260 130 C CB 0.548 27.533 27.740 -1.257 0.000 1.764 130 C HN 1.088 nan 8.230 nan 0.000 0.469 131 G N 3.566 112.104 108.800 -0.436 0.000 2.421 131 G HA2 -0.175 3.752 3.960 -0.055 0.000 0.216 131 G HA3 -0.175 3.752 3.960 -0.055 0.000 0.216 131 G C 1.519 176.244 174.900 -0.290 0.000 1.171 131 G CA 1.512 46.430 45.100 -0.304 0.000 0.775 131 G HN 1.036 nan 8.290 nan 0.000 0.543 132 H N -0.034 118.915 119.070 -0.202 0.000 2.387 132 H HA -0.004 4.518 4.556 -0.056 0.000 0.299 132 H C 2.081 177.353 175.328 -0.094 0.000 1.090 132 H CA 1.356 57.360 56.048 -0.073 0.000 1.332 132 H CB -0.426 29.343 29.762 0.012 0.000 1.386 132 H HN 0.300 nan 8.280 nan 0.000 0.516 133 N N 0.752 118.904 118.700 -0.914 0.000 2.354 133 N HA -0.066 4.640 4.740 -0.055 0.000 0.179 133 N C 1.730 177.225 175.510 -0.024 0.000 1.021 133 N CA 0.866 53.700 53.050 -0.360 0.000 0.887 133 N CB 0.129 38.476 38.487 -0.234 0.000 0.974 133 N HN 0.326 nan 8.380 nan 0.000 0.437 134 S N 0.785 116.428 115.700 -0.095 0.000 2.371 134 S HA 0.074 4.511 4.470 -0.055 0.000 0.224 134 S C 2.082 176.661 174.600 -0.036 0.000 1.029 134 S CA 0.327 58.544 58.200 0.029 0.000 0.978 134 S CB 0.058 63.255 63.200 -0.007 0.000 0.833 134 S HN 0.284 nan 8.310 nan 0.000 0.466 135 I N 1.947 122.455 120.570 -0.104 0.000 2.163 135 I HA -0.275 3.861 4.170 -0.055 0.000 0.243 135 I C 2.705 178.784 176.117 -0.063 0.000 1.085 135 I CA 1.286 62.520 61.300 -0.110 0.000 1.347 135 I CB -0.468 37.432 38.000 -0.167 0.000 1.044 135 I HN 0.274 nan 8.210 nan 0.000 0.408 136 A N 0.475 123.283 122.820 -0.019 0.000 1.933 136 A HA -0.172 4.115 4.320 -0.055 0.000 0.218 136 A C 2.494 180.080 177.584 0.003 0.000 1.175 136 A CA 1.942 53.981 52.037 0.003 0.000 0.628 136 A CB -0.804 18.236 19.000 0.068 0.000 0.814 136 A HN 0.461 nan 8.150 nan 0.000 0.444 137 A N -0.677 122.158 122.820 0.025 0.000 1.897 137 A HA 0.093 4.380 4.320 -0.055 0.000 0.215 137 A C 2.214 179.801 177.584 0.004 0.000 1.181 137 A CA 1.516 53.572 52.037 0.032 0.000 0.620 137 A CB -0.860 18.180 19.000 0.066 0.000 0.821 137 A HN 0.345 nan 8.150 nan 0.000 0.443 138 V N -0.055 119.848 119.914 -0.018 0.000 2.255 138 V HA -0.272 3.814 4.120 -0.055 0.000 0.247 138 V C 2.762 178.824 176.094 -0.054 0.000 1.051 138 V CA 2.615 64.889 62.300 -0.044 0.000 1.018 138 V CB -1.419 30.358 31.823 -0.077 0.000 0.641 138 V HN 0.597 nan 8.190 nan 0.000 0.445 139 T N 0.463 114.976 114.554 -0.069 0.000 2.665 139 T HA -0.241 4.075 4.350 -0.055 0.000 0.268 139 T C 1.977 176.651 174.700 -0.043 0.000 1.035 139 T CA 1.932 63.985 62.100 -0.079 0.000 1.151 139 T CB -0.490 68.309 68.868 -0.114 0.000 0.862 139 T HN 0.594 nan 8.240 nan 0.000 0.438 140 A N 1.050 123.859 122.820 -0.020 0.000 1.968 140 A HA 0.325 4.612 4.320 -0.055 0.000 0.217 140 A C 2.614 180.214 177.584 0.028 0.000 1.169 140 A CA 1.529 53.575 52.037 0.015 0.000 0.638 140 A CB -0.910 18.108 19.000 0.030 0.000 0.812 140 A HN 0.500 nan 8.150 nan 0.000 0.446 141 A N -0.562 122.265 122.820 0.012 0.000 1.933 141 A HA -0.002 4.285 4.320 -0.055 0.000 0.218 141 A C 2.213 179.803 177.584 0.009 0.000 1.175 141 A CA 1.907 53.952 52.037 0.013 0.000 0.628 141 A CB -0.695 18.306 19.000 0.002 0.000 0.814 141 A HN 0.343 nan 8.150 nan 0.000 0.444 142 V N -0.264 119.647 119.914 -0.004 0.000 2.331 142 V HA -0.158 3.929 4.120 -0.055 0.000 0.242 142 V C 2.231 178.330 176.094 0.007 0.000 1.034 142 V CA 1.870 64.165 62.300 -0.007 0.000 1.027 142 V CB -0.701 31.105 31.823 -0.029 0.000 0.667 142 V HN 0.617 nan 8.190 nan 0.000 0.457 143 E N 0.305 120.512 120.200 0.012 0.000 2.333 143 E HA -0.150 4.167 4.350 -0.055 0.000 0.198 143 E C 1.703 178.345 176.600 0.071 0.000 1.007 143 E CA 1.569 57.990 56.400 0.036 0.000 0.845 143 E CB -0.065 29.654 29.700 0.032 0.000 0.766 143 E HN 0.781 nan 8.360 nan 0.000 0.507 144 T N -4.215 110.382 114.554 0.072 0.000 3.084 144 T HA 0.348 4.664 4.350 -0.055 0.000 0.270 144 T C 1.297 176.021 174.700 0.039 0.000 1.008 144 T CA 0.149 62.297 62.100 0.080 0.000 0.900 144 T CB 0.921 69.866 68.868 0.128 0.000 1.084 144 T HN 0.163 nan 8.240 nan 0.000 0.538 145 G N 2.079 110.896 108.800 0.028 0.000 2.153 145 G HA2 -0.286 3.641 3.960 -0.055 0.000 0.252 145 G HA3 -0.286 3.641 3.960 -0.055 0.000 0.252 145 G C 0.906 175.815 174.900 0.014 0.000 0.994 145 G CA 0.309 45.418 45.100 0.015 0.000 0.698 145 G HN 0.490 nan 8.290 nan 0.000 0.521 146 I N -0.619 119.963 120.570 0.020 0.000 2.151 146 I HA -0.103 4.034 4.170 -0.055 0.000 0.243 146 I C 1.705 177.829 176.117 0.011 0.000 1.080 146 I CA 1.473 62.783 61.300 0.018 0.000 1.339 146 I CB -1.148 36.865 38.000 0.022 0.000 1.039 146 I HN 0.161 nan 8.210 nan 0.000 0.409 147 V N 0.498 120.417 119.914 0.008 0.000 2.630 147 V HA 0.289 4.376 4.120 -0.055 0.000 0.305 147 V C 0.233 176.328 176.094 0.001 0.000 1.046 147 V CA -0.499 61.803 62.300 0.003 0.000 0.934 147 V CB 2.132 33.953 31.823 -0.002 0.000 1.003 147 V HN 0.337 nan 8.190 nan 0.000 0.451 148 S N 3.212 118.912 115.700 0.000 0.000 2.617 148 S HA 0.583 5.020 4.470 -0.055 0.000 0.283 148 S C -0.714 173.885 174.600 -0.002 0.000 1.189 148 S CA -0.547 57.654 58.200 0.000 0.000 1.036 148 S CB 1.602 64.802 63.200 0.001 0.000 1.014 148 S HN 0.468 nan 8.310 nan 0.000 0.522 149 V N 5.660 125.573 119.914 -0.001 0.000 2.348 149 V HA 0.352 4.439 4.120 -0.055 0.000 0.270 149 V C -2.122 173.972 176.094 -0.000 0.000 1.037 149 V CA -1.630 60.669 62.300 -0.002 0.000 0.872 149 V CB 0.578 32.401 31.823 -0.001 0.000 1.002 149 V HN 0.793 nan 8.190 nan 0.000 0.464 150 P HA 0.195 nan 4.420 nan 0.000 0.265 150 P C 0.126 177.428 177.300 0.003 0.000 1.222 150 P CA 0.030 63.130 63.100 0.001 0.000 0.767 150 P CB 0.396 32.096 31.700 0.001 0.000 0.801 151 A N 3.653 126.475 122.820 0.003 0.000 2.592 151 A HA 0.270 4.556 4.320 -0.055 0.000 0.250 151 A C 1.306 178.892 177.584 0.004 0.000 1.017 151 A CA 0.895 52.934 52.037 0.004 0.000 0.794 151 A CB -1.378 17.624 19.000 0.003 0.000 0.917 151 A HN 0.879 nan 8.150 nan 0.000 0.515 152 K N -0.696 119.707 120.400 0.005 0.000 3.299 152 K HA 0.152 4.439 4.320 -0.055 0.000 0.284 152 K C 0.348 176.952 176.600 0.008 0.000 1.235 152 K CA 1.737 58.028 56.287 0.006 0.000 0.833 152 K CB -2.526 29.977 32.500 0.006 0.000 1.330 152 K HN 2.650 nan 8.250 nan 0.000 0.510 153 A N -0.071 122.753 122.820 0.008 0.000 2.312 153 A HA 0.780 5.066 4.320 -0.055 0.000 0.326 153 A C 1.463 179.055 177.584 0.014 0.000 1.172 153 A CA 0.496 52.539 52.037 0.010 0.000 0.821 153 A CB 1.109 20.113 19.000 0.007 0.000 1.166 153 A HN 0.723 nan 8.150 nan 0.000 0.493 154 T N 1.416 115.982 114.554 0.020 0.000 2.976 154 T HA 0.069 4.386 4.350 -0.055 0.000 0.257 154 T C 0.480 175.209 174.700 0.048 0.000 1.051 154 T CA 1.262 63.381 62.100 0.032 0.000 1.141 154 T CB -0.220 68.668 68.868 0.033 0.000 0.881 154 T HN 0.742 nan 8.240 nan 0.000 0.461 155 N N 0.322 119.047 118.700 0.042 0.000 2.258 155 N HA 0.555 5.261 4.740 -0.055 0.000 0.299 155 N C -1.666 173.841 175.510 -0.005 0.000 1.047 155 N CA -0.512 52.560 53.050 0.038 0.000 0.814 155 N CB 2.695 41.235 38.487 0.088 0.000 1.413 155 N HN -0.116 nan 8.380 nan 0.000 0.478 156 V N 2.591 122.480 119.914 -0.042 0.000 2.378 156 V HA 0.516 4.602 4.120 -0.055 0.000 0.288 156 V C -2.186 173.872 176.094 -0.060 0.000 1.016 156 V CA -1.727 60.549 62.300 -0.040 0.000 0.840 156 V CB 1.444 33.244 31.823 -0.037 0.000 0.994 156 V HN 0.605 nan 8.190 nan 0.000 0.431 157 P HA 0.338 nan 4.420 nan 0.000 0.276 157 P C -0.965 176.313 177.300 -0.037 0.000 1.230 157 P CA -0.153 62.922 63.100 -0.041 0.000 0.776 157 P CB 1.539 33.227 31.700 -0.021 0.000 0.888 158 V N 3.914 123.803 119.914 -0.042 0.000 2.524 158 V HA 0.214 4.301 4.120 -0.055 0.000 0.297 158 V C -0.019 176.064 176.094 -0.018 0.000 1.035 158 V CA -0.736 61.547 62.300 -0.028 0.000 0.867 158 V CB 2.207 34.010 31.823 -0.033 0.000 1.004 158 V HN 0.233 nan 8.190 nan 0.000 0.426 159 V N 6.308 126.219 119.914 -0.005 0.000 2.347 159 V HA 0.474 4.560 4.120 -0.055 0.000 0.280 159 V C -0.060 176.042 176.094 0.013 0.000 1.021 159 V CA -0.434 61.868 62.300 0.003 0.000 0.847 159 V CB 1.500 33.326 31.823 0.005 0.000 0.990 159 V HN 0.659 nan 8.190 nan 0.000 0.444 160 L N 3.819 125.056 121.223 0.023 0.000 2.312 160 L HA 0.526 4.832 4.340 -0.055 0.000 0.281 160 L C -0.041 176.852 176.870 0.037 0.000 1.070 160 L CA -0.443 54.418 54.840 0.034 0.000 0.805 160 L CB 1.219 43.314 42.059 0.060 0.000 1.174 160 L HN 0.519 nan 8.230 nan 0.000 0.434 161 D N 2.488 122.905 120.400 0.028 0.000 2.428 161 D HA 0.223 4.829 4.640 -0.055 0.000 0.221 161 D C -0.142 176.167 176.300 0.016 0.000 1.123 161 D CA -0.164 53.849 54.000 0.021 0.000 0.869 161 D CB 0.983 41.790 40.800 0.010 0.000 1.032 161 D HN 0.616 nan 8.370 nan 0.000 0.506 162 T N 0.846 115.428 114.554 0.047 0.000 2.949 162 T HA 0.532 4.849 4.350 -0.055 0.000 0.287 162 T C -1.947 172.796 174.700 0.072 0.000 1.034 162 T CA -1.878 60.268 62.100 0.076 0.000 1.018 162 T CB 1.845 70.844 68.868 0.219 0.000 1.135 162 T HN -0.055 nan 8.240 nan 0.000 0.532 163 P HA 0.155 nan 4.420 nan 0.000 0.225 163 P C 0.887 178.312 177.300 0.209 0.000 1.148 163 P CA 0.612 63.767 63.100 0.091 0.000 0.779 163 P CB -0.090 31.687 31.700 0.129 0.000 0.780 164 A N -1.304 121.640 122.820 0.207 0.000 2.308 164 A HA 0.576 4.863 4.320 -0.055 0.000 0.217 164 A C 1.022 178.690 177.584 0.140 0.000 1.216 164 A CA 0.604 52.760 52.037 0.198 0.000 0.864 164 A CB -0.479 18.650 19.000 0.215 0.000 0.902 164 A HN 0.291 nan 8.150 nan 0.000 0.499 165 G N -1.249 107.617 108.800 0.109 0.000 2.408 165 G HA2 0.152 4.079 3.960 -0.055 0.000 0.682 165 G HA3 0.152 4.079 3.960 -0.055 0.000 0.682 165 G C -0.927 174.017 174.900 0.073 0.000 1.303 165 G CA -0.888 44.261 45.100 0.081 0.000 0.966 165 G HN 0.309 nan 8.290 nan 0.000 0.560 166 L N -0.044 121.212 121.223 0.056 0.000 2.453 166 L HA 0.507 4.814 4.340 -0.055 0.000 0.272 166 L C 0.797 177.694 176.870 0.046 0.000 1.182 166 L CA -0.245 54.622 54.840 0.045 0.000 0.858 166 L CB 0.831 42.909 42.059 0.033 0.000 1.120 166 L HN 0.526 nan 8.230 nan 0.000 0.474 167 V N 5.323 125.262 119.914 0.042 0.000 2.444 167 V HA 0.421 4.508 4.120 -0.055 0.000 0.294 167 V C 0.279 176.382 176.094 0.014 0.000 1.022 167 V CA -0.801 61.517 62.300 0.030 0.000 0.850 167 V CB 1.965 33.814 31.823 0.044 0.000 0.992 167 V HN 0.642 nan 8.190 nan 0.000 0.426 168 R N 3.150 123.651 120.500 0.001 0.000 2.215 168 R HA 0.596 4.903 4.340 -0.055 0.000 0.337 168 R C 0.366 176.651 176.300 -0.025 0.000 1.010 168 R CA -0.187 55.908 56.100 -0.008 0.000 0.871 168 R CB 1.576 31.873 30.300 -0.003 0.000 1.134 168 R HN 0.877 nan 8.270 nan 0.000 0.477 169 G N 0.887 109.665 108.800 -0.037 0.000 2.471 169 G HA2 0.496 4.423 3.960 -0.055 0.000 0.332 169 G HA3 0.496 4.423 3.960 -0.055 0.000 0.332 169 G C -0.804 174.038 174.900 -0.096 0.000 1.176 169 G CA -0.267 44.791 45.100 -0.069 0.000 0.949 169 G HN 0.362 nan 8.290 nan 0.000 0.488 170 T N 0.034 114.484 114.554 -0.173 0.000 2.991 170 T HA 0.591 4.907 4.350 -0.055 0.000 0.303 170 T C -0.186 174.223 174.700 -0.485 0.000 1.015 170 T CA -0.159 61.781 62.100 -0.267 0.000 1.007 170 T CB 1.613 70.346 68.868 -0.224 0.000 1.034 170 T HN 0.904 nan 8.240 nan 0.000 0.446 171 A N 3.169 125.775 122.820 -0.357 0.000 2.260 171 A HA 0.578 4.865 4.320 -0.055 0.000 0.308 171 A C -0.271 177.114 177.584 -0.332 0.000 1.254 171 A CA -0.614 51.226 52.037 -0.328 0.000 0.874 171 A CB 0.131 19.034 19.000 -0.161 0.000 1.153 171 A HN 0.854 nan 8.150 nan 0.000 0.527 172 H N 3.591 122.637 119.070 -0.040 0.000 2.705 172 H HA 0.270 4.793 4.556 -0.056 0.000 0.291 172 H C -0.198 175.112 175.328 -0.030 0.000 1.085 172 H CA -0.175 55.854 56.048 -0.032 0.000 1.357 172 H CB 0.577 30.320 29.762 -0.032 0.000 1.419 172 H HN 0.515 nan 8.280 nan 0.000 0.462 173 L N 2.325 123.592 121.223 0.074 0.000 2.417 173 L HA 0.057 4.363 4.340 -0.055 0.000 0.268 173 L C 1.000 177.890 176.870 0.034 0.000 1.158 173 L CA -0.601 54.259 54.840 0.033 0.000 0.819 173 L CB 0.628 42.698 42.059 0.019 0.000 1.112 173 L HN 0.396 nan 8.230 nan 0.000 0.458 174 Q N 1.519 121.331 119.800 0.021 0.000 2.263 174 Q HA -0.017 4.290 4.340 -0.055 0.000 0.270 174 Q C 1.109 177.120 176.000 0.018 0.000 1.104 174 Q CA 0.372 56.186 55.803 0.019 0.000 0.909 174 Q CB 1.002 29.750 28.738 0.017 0.000 1.214 174 Q HN 0.708 nan 8.270 nan 0.000 0.400 175 S N 2.059 117.769 115.700 0.018 0.000 2.374 175 S HA -0.115 4.322 4.470 -0.055 0.000 0.227 175 S C 1.108 175.716 174.600 0.014 0.000 1.037 175 S CA 0.983 59.193 58.200 0.016 0.000 1.024 175 S CB -0.251 62.957 63.200 0.012 0.000 0.861 175 S HN 0.624 nan 8.310 nan 0.000 0.456 176 G N 1.361 110.169 108.800 0.014 0.000 4.126 176 G HA2 0.538 4.465 3.960 -0.055 0.000 0.282 176 G HA3 0.538 4.465 3.960 -0.055 0.000 0.282 176 G C -0.525 174.383 174.900 0.014 0.000 1.221 176 G CA -0.321 44.787 45.100 0.013 0.000 1.527 176 G HN 0.494 nan 8.290 nan 0.000 0.612 177 T N -2.098 112.464 114.554 0.014 0.000 2.821 177 T HA 0.606 4.923 4.350 -0.055 0.000 0.306 177 T C 0.928 175.636 174.700 0.012 0.000 1.313 177 T CA 0.036 62.144 62.100 0.014 0.000 1.012 177 T CB 1.453 70.331 68.868 0.016 0.000 1.298 177 T HN 0.269 nan 8.240 nan 0.000 0.502 178 E N 1.020 121.227 120.200 0.012 0.000 2.004 178 E HA 0.057 4.374 4.350 -0.055 0.000 0.192 178 E C 1.520 178.125 176.600 0.009 0.000 0.987 178 E CA 1.330 57.736 56.400 0.011 0.000 0.822 178 E CB -0.664 29.043 29.700 0.012 0.000 0.779 178 E HN 0.945 nan 8.360 nan 0.000 0.458 179 S N 0.065 115.772 115.700 0.011 0.000 2.740 179 S HA 0.349 4.785 4.470 -0.055 0.000 0.244 179 S C -0.641 173.963 174.600 0.007 0.000 1.101 179 S CA -0.489 57.716 58.200 0.008 0.000 1.123 179 S CB 0.003 63.209 63.200 0.011 0.000 1.012 179 S HN 0.407 nan 8.310 nan 0.000 0.491 180 E N 1.445 121.649 120.200 0.006 0.000 2.113 180 E HA 0.399 4.716 4.350 -0.055 0.000 0.273 180 E C -0.961 175.633 176.600 -0.010 0.000 0.924 180 E CA -0.724 55.678 56.400 0.003 0.000 0.764 180 E CB 2.041 31.750 29.700 0.015 0.000 1.104 180 E HN 0.249 nan 8.360 nan 0.000 0.406 181 V N 3.134 123.028 119.914 -0.035 0.000 2.432 181 V HA 0.005 4.092 4.120 -0.055 0.000 0.275 181 V C 0.967 177.020 176.094 -0.069 0.000 1.043 181 V CA 0.149 62.416 62.300 -0.056 0.000 0.925 181 V CB 1.428 33.195 31.823 -0.092 0.000 0.985 181 V HN 0.741 nan 8.190 nan 0.000 0.466 182 S N 3.674 119.357 115.700 -0.028 0.000 2.362 182 S HA 0.032 4.469 4.470 -0.055 0.000 0.221 182 S C 0.645 175.216 174.600 -0.048 0.000 1.032 182 S CA 1.047 59.234 58.200 -0.022 0.000 0.973 182 S CB -0.070 63.144 63.200 0.023 0.000 0.849 182 S HN 1.002 nan 8.310 nan 0.000 0.465 183 N N -0.407 118.289 118.700 -0.008 0.000 3.179 183 N HA 0.614 5.321 4.740 -0.055 0.000 0.250 183 N C -1.643 173.865 175.510 -0.003 0.000 1.507 183 N CA -0.598 52.445 53.050 -0.012 0.000 0.883 183 N CB 0.822 39.336 38.487 0.046 0.000 1.435 183 N HN 0.147 nan 8.380 nan 0.000 0.532 184 A N -0.543 122.254 122.820 -0.039 0.000 2.486 184 A HA 0.833 5.119 4.320 -0.055 0.000 0.300 184 A C -1.024 176.498 177.584 -0.103 0.000 1.048 184 A CA -0.312 51.633 52.037 -0.154 0.000 0.696 184 A CB 1.062 19.967 19.000 -0.159 0.000 1.278 184 A HN 1.320 nan 8.150 nan 0.000 0.405 185 S N 0.444 116.063 115.700 -0.136 0.000 2.570 185 S HA 0.868 5.304 4.470 -0.055 0.000 0.286 185 S C -0.554 173.992 174.600 -0.090 0.000 1.099 185 S CA -0.556 57.615 58.200 -0.048 0.000 0.913 185 S CB 1.227 64.518 63.200 0.152 0.000 1.085 185 S HN 1.547 nan 8.310 nan 0.000 0.480 186 I N -1.265 119.250 120.570 -0.091 0.000 2.647 186 I HA 0.638 4.775 4.170 -0.055 0.000 0.295 186 I C -1.198 174.882 176.117 -0.061 0.000 1.078 186 I CA -1.355 59.897 61.300 -0.080 0.000 1.048 186 I CB 1.579 39.518 38.000 -0.101 0.000 1.239 186 I HN 0.612 nan 8.210 nan 0.000 0.421 187 I N 4.551 125.096 120.570 -0.041 0.000 2.297 187 I HA 0.276 4.413 4.170 -0.055 0.000 0.291 187 I C 0.233 176.331 176.117 -0.031 0.000 1.033 187 I CA -0.253 61.027 61.300 -0.033 0.000 1.253 187 I CB 0.733 38.723 38.000 -0.017 0.000 1.396 187 I HN 0.632 nan 8.210 nan 0.000 0.476 188 N N 4.816 123.489 118.700 -0.046 0.000 2.399 188 N HA 0.149 4.856 4.740 -0.055 0.000 0.250 188 N C -0.224 175.284 175.510 -0.004 0.000 1.272 188 N CA -0.361 52.662 53.050 -0.044 0.000 0.928 188 N CB 1.229 39.665 38.487 -0.084 0.000 1.158 188 N HN 0.342 nan 8.380 nan 0.000 0.463 189 V N -0.224 119.703 119.914 0.022 0.000 3.139 189 V HA 0.305 4.391 4.120 -0.055 0.000 0.307 189 V C -2.147 174.018 176.094 0.120 0.000 1.095 189 V CA -1.393 60.963 62.300 0.093 0.000 1.160 189 V CB -0.421 31.495 31.823 0.156 0.000 1.003 189 V HN 0.596 nan 8.190 nan 0.000 0.489 190 P HA 0.192 nan 4.420 nan 0.000 0.263 190 P C -0.503 176.989 177.300 0.320 0.000 1.195 190 P CA 0.604 63.837 63.100 0.220 0.000 0.762 190 P CB 0.348 32.198 31.700 0.250 0.000 0.799 191 S N 2.841 118.648 115.700 0.180 0.000 2.621 191 S HA 0.880 5.316 4.470 -0.055 0.000 0.302 191 S C -0.507 174.200 174.600 0.178 0.000 1.093 191 S CA -0.435 57.794 58.200 0.047 0.000 1.017 191 S CB 0.715 63.847 63.200 -0.113 0.000 1.077 191 S HN 0.440 nan 8.310 nan 0.000 0.517 192 F N -0.559 119.479 119.950 0.146 0.000 2.688 192 F HA 0.610 5.104 4.527 -0.055 0.000 0.308 192 F C -1.411 174.493 175.800 0.173 0.000 1.117 192 F CA -1.466 56.608 58.000 0.123 0.000 0.976 192 F CB 0.405 39.468 39.000 0.104 0.000 1.291 192 F HN 0.403 nan 8.300 nan 0.000 0.439 193 L N 3.322 124.739 121.223 0.323 0.000 2.416 193 L HA 0.289 4.595 4.340 -0.055 0.000 0.272 193 L C -0.227 176.916 176.870 0.454 0.000 1.161 193 L CA 0.276 55.288 54.840 0.287 0.000 0.845 193 L CB 0.730 42.900 42.059 0.185 0.000 1.119 193 L HN 0.850 nan 8.230 nan 0.000 0.464 194 Y N 3.029 123.519 120.300 0.317 0.000 2.472 194 Y HA 0.302 4.819 4.550 -0.056 0.000 0.288 194 Y C 0.627 176.641 175.900 0.190 0.000 1.154 194 Y CA 0.427 58.735 58.100 0.347 0.000 1.238 194 Y CB 0.478 39.219 38.460 0.467 0.000 1.287 194 Y HN 0.692 nan 8.280 nan 0.000 0.524 195 Q N 1.030 120.963 119.800 0.222 0.000 2.320 195 Q HA 0.243 4.550 4.340 -0.055 0.000 0.272 195 Q C -1.808 174.262 176.000 0.115 0.000 1.023 195 Q CA -0.723 55.124 55.803 0.074 0.000 0.855 195 Q CB 2.257 31.044 28.738 0.081 0.000 1.367 195 Q HN 0.328 nan 8.270 nan 0.000 0.406 196 Q N 1.875 121.715 119.800 0.066 0.000 2.274 196 Q HA 0.301 4.608 4.340 -0.055 0.000 0.260 196 Q C -1.038 174.997 176.000 0.057 0.000 0.974 196 Q CA -0.134 55.710 55.803 0.068 0.000 0.876 196 Q CB 1.086 29.853 28.738 0.048 0.000 1.297 196 Q HN 0.745 nan 8.270 nan 0.000 0.446 197 D N 1.050 121.488 120.400 0.063 0.000 2.870 197 D HA -0.143 4.464 4.640 -0.055 0.000 0.228 197 D C -1.059 175.270 176.300 0.049 0.000 1.147 197 D CA 0.625 54.657 54.000 0.052 0.000 0.757 197 D CB -1.183 39.641 40.800 0.040 0.000 1.091 197 D HN 0.277 nan 8.370 nan 0.000 0.429 198 V N 0.614 120.564 119.914 0.060 0.000 2.485 198 V HA 0.074 4.161 4.120 -0.055 0.000 0.287 198 V C 1.130 177.253 176.094 0.049 0.000 1.022 198 V CA -0.359 61.974 62.300 0.055 0.000 1.067 198 V CB 1.222 33.087 31.823 0.070 0.000 0.967 198 V HN 0.042 nan 8.190 nan 0.000 0.479 199 V N 6.300 126.238 119.914 0.040 0.000 2.432 199 V HA 0.328 4.415 4.120 -0.055 0.000 0.271 199 V C 0.092 176.209 176.094 0.038 0.000 1.046 199 V CA -0.385 61.938 62.300 0.037 0.000 0.945 199 V CB 1.062 32.904 31.823 0.031 0.000 0.992 199 V HN 0.588 nan 8.190 nan 0.000 0.471 200 V N 5.349 125.287 119.914 0.039 0.000 2.495 200 V HA 0.421 4.508 4.120 -0.055 0.000 0.298 200 V C -0.062 176.057 176.094 0.042 0.000 1.031 200 V CA -0.700 61.624 62.300 0.039 0.000 0.871 200 V CB 1.974 33.821 31.823 0.040 0.000 0.988 200 V HN 0.604 nan 8.190 nan 0.000 0.432 201 V N 6.224 126.163 119.914 0.042 0.000 2.348 201 V HA 0.376 4.463 4.120 -0.055 0.000 0.270 201 V C -0.108 176.021 176.094 0.057 0.000 1.037 201 V CA -0.324 62.004 62.300 0.047 0.000 0.872 201 V CB 1.136 32.983 31.823 0.039 0.000 1.002 201 V HN 0.537 nan 8.190 nan 0.000 0.464 202 L N 8.283 129.552 121.223 0.076 0.000 2.387 202 L HA 0.644 4.951 4.340 -0.055 0.000 0.266 202 L C -2.032 174.903 176.870 0.109 0.000 1.059 202 L CA -1.971 52.931 54.840 0.104 0.000 0.801 202 L CB 0.878 43.023 42.059 0.143 0.000 1.223 202 L HN 0.394 nan 8.230 nan 0.000 0.456 203 P HA 0.166 nan 4.420 nan 0.000 0.274 203 P C -0.946 176.391 177.300 0.062 0.000 1.246 203 P CA -0.627 62.520 63.100 0.078 0.000 0.795 203 P CB 0.342 32.084 31.700 0.069 0.000 1.006 204 K N 1.857 122.255 120.400 -0.003 0.000 2.440 204 K HA 0.029 4.316 4.320 -0.055 0.000 0.270 204 K C -1.178 175.310 176.600 -0.187 0.000 0.980 204 K CA -0.602 55.637 56.287 -0.080 0.000 0.953 204 K CB -0.299 32.160 32.500 -0.068 0.000 0.925 204 K HN 0.459 nan 8.250 nan 0.000 0.497 205 P HA -0.047 nan 4.420 nan 0.000 0.249 205 P C 0.016 177.127 177.300 -0.315 0.000 1.229 205 P CA 0.852 63.735 63.100 -0.362 0.000 0.788 205 P CB 0.215 31.660 31.700 -0.425 0.000 1.072 206 Y N 0.449 120.755 120.300 0.010 0.000 2.347 206 Y HA 0.231 4.746 4.550 -0.059 0.000 0.294 206 Y C 2.167 178.073 175.900 0.009 0.000 1.117 206 Y CA 0.828 58.934 58.100 0.010 0.000 1.184 206 Y CB -1.042 37.426 38.460 0.013 0.000 1.047 206 Y HN 0.105 nan 8.280 nan 0.000 0.546 207 G N 0.646 109.523 108.800 0.129 0.000 2.527 207 G HA2 -0.365 3.562 3.960 -0.055 0.000 0.268 207 G HA3 -0.365 3.562 3.960 -0.055 0.000 0.268 207 G C -0.253 174.697 174.900 0.083 0.000 1.175 207 G CA 0.167 45.315 45.100 0.080 0.000 0.962 207 G HN 0.349 nan 8.290 nan 0.000 0.560 208 E N -0.046 120.190 120.200 0.060 0.000 2.197 208 E HA 0.538 4.855 4.350 -0.055 0.000 0.281 208 E C 0.220 176.849 176.600 0.048 0.000 0.995 208 E CA -0.336 56.093 56.400 0.050 0.000 0.808 208 E CB 1.375 31.098 29.700 0.037 0.000 1.093 208 E HN 1.246 nan 8.360 nan 0.000 0.394 209 V N 1.608 121.548 119.914 0.044 0.000 3.001 209 V HA 0.722 4.808 4.120 -0.055 0.000 0.314 209 V C -0.877 175.238 176.094 0.036 0.000 1.099 209 V CA -1.164 61.157 62.300 0.036 0.000 0.989 209 V CB 1.884 33.724 31.823 0.029 0.000 1.040 209 V HN 0.658 nan 8.190 nan 0.000 0.434 210 R N 1.954 122.475 120.500 0.033 0.000 2.387 210 R HA 0.850 5.156 4.340 -0.055 0.000 0.314 210 R C -0.927 175.404 176.300 0.052 0.000 0.958 210 R CA -0.025 56.100 56.100 0.041 0.000 0.846 210 R CB 1.633 31.956 30.300 0.038 0.000 1.147 210 R HN 1.610 nan 8.270 nan 0.000 0.447 211 V N -0.071 119.884 119.914 0.067 0.000 3.049 211 V HA 0.647 4.734 4.120 -0.055 0.000 0.309 211 V C -1.320 174.838 176.094 0.106 0.000 1.148 211 V CA -1.001 61.353 62.300 0.090 0.000 0.990 211 V CB 2.530 34.406 31.823 0.088 0.000 1.039 211 V HN 0.694 nan 8.190 nan 0.000 0.430 212 D N 2.374 122.850 120.400 0.127 0.000 2.217 212 D HA 0.671 5.277 4.640 -0.055 0.000 0.248 212 D C -0.539 175.866 176.300 0.176 0.000 1.008 212 D CA -0.041 54.042 54.000 0.137 0.000 0.914 212 D CB 2.528 43.399 40.800 0.120 0.000 1.182 212 D HN 0.650 nan 8.370 nan 0.000 0.451 213 I N 0.984 121.687 120.570 0.221 0.000 2.377 213 I HA 0.563 4.699 4.170 -0.055 0.000 0.293 213 I C -0.095 176.233 176.117 0.352 0.000 0.987 213 I CA -0.452 61.020 61.300 0.286 0.000 1.185 213 I CB 1.670 39.852 38.000 0.304 0.000 1.341 213 I HN 0.317 nan 8.210 nan 0.000 0.455 214 A N 5.541 128.567 122.820 0.344 0.000 2.539 214 A HA 0.698 4.985 4.320 -0.055 0.000 0.296 214 A C -1.627 176.069 177.584 0.187 0.000 1.073 214 A CA -0.446 51.747 52.037 0.261 0.000 0.700 214 A CB 1.324 20.390 19.000 0.109 0.000 1.296 214 A HN 0.542 nan 8.150 nan 0.000 0.405 215 F N 1.694 121.417 119.950 -0.379 0.000 2.415 215 F HA 0.599 5.092 4.527 -0.056 0.000 0.348 215 F C 0.867 176.351 175.800 -0.527 0.000 1.119 215 F CA 0.162 57.718 58.000 -0.741 0.000 1.069 215 F CB 1.754 39.804 39.000 -1.583 0.000 1.124 215 F HN 0.570 nan 8.300 nan 0.000 0.472 216 G N 2.432 110.761 108.800 -0.785 0.000 4.100 216 G HA2 0.435 4.361 3.960 -0.055 0.000 0.294 216 G HA3 0.435 4.361 3.960 -0.055 0.000 0.294 216 G C 0.694 175.134 174.900 -0.768 0.000 1.040 216 G CA 0.065 44.787 45.100 -0.631 0.000 0.829 216 G HN 1.456 nan 8.290 nan 0.000 0.505 217 G N 0.149 107.954 108.800 -1.657 0.000 2.391 217 G HA2 -0.216 3.711 3.960 -0.055 0.000 0.204 217 G HA3 -0.216 3.711 3.960 -0.055 0.000 0.204 217 G C 0.085 174.503 174.900 -0.804 0.000 1.012 217 G CA -0.191 44.309 45.100 -1.000 0.000 0.651 217 G HN 0.466 nan 8.290 nan 0.000 0.494 218 N N -0.275 117.988 118.700 -0.729 0.000 2.380 218 N HA 0.657 5.364 4.740 -0.055 0.000 0.290 218 N C -1.219 174.068 175.510 -0.372 0.000 1.236 218 N CA -0.537 52.278 53.050 -0.393 0.000 0.780 218 N CB 1.269 39.527 38.487 -0.382 0.000 1.438 218 N HN 0.058 nan 8.380 nan 0.000 0.491 219 F N 0.618 120.550 119.950 -0.031 0.000 2.412 219 F HA 0.389 4.883 4.527 -0.055 0.000 0.348 219 F C 0.074 175.766 175.800 -0.180 0.000 1.102 219 F CA -0.132 57.879 58.000 0.018 0.000 1.196 219 F CB 0.548 39.552 39.000 0.006 0.000 1.144 219 F HN 0.255 nan 8.300 nan 0.000 0.541 220 F N 1.630 121.686 119.950 0.178 0.000 2.532 220 F HA 0.624 5.118 4.527 -0.055 0.000 0.321 220 F C -0.033 175.838 175.800 0.119 0.000 1.089 220 F CA -1.016 57.041 58.000 0.096 0.000 0.926 220 F CB 1.715 40.731 39.000 0.026 0.000 1.168 220 F HN 0.430 nan 8.300 nan 0.000 0.459 221 A N 4.957 127.937 122.820 0.266 0.000 2.252 221 A HA 0.687 4.974 4.320 -0.055 0.000 0.309 221 A C -0.573 177.154 177.584 0.238 0.000 1.285 221 A CA -0.436 51.724 52.037 0.205 0.000 0.900 221 A CB -0.218 18.859 19.000 0.129 0.000 1.157 221 A HN 0.689 nan 8.150 nan 0.000 0.536 222 I N 3.062 123.761 120.570 0.215 0.000 2.336 222 I HA 0.474 4.611 4.170 -0.055 0.000 0.292 222 I C -0.463 175.781 176.117 0.211 0.000 0.991 222 I CA -0.657 60.772 61.300 0.214 0.000 1.227 222 I CB 1.514 39.609 38.000 0.157 0.000 1.366 222 I HN 0.360 nan 8.210 nan 0.000 0.466 223 V N 8.635 128.671 119.914 0.204 0.000 2.733 223 V HA 0.491 4.578 4.120 -0.055 0.000 0.306 223 V C -2.515 173.492 176.094 -0.145 0.000 1.084 223 V CA -2.091 60.251 62.300 0.070 0.000 0.905 223 V CB 2.947 34.783 31.823 0.021 0.000 1.010 223 V HN 0.462 nan 8.190 nan 0.000 0.424 224 P HA 0.206 nan 4.420 nan 0.000 0.267 224 P C 0.573 177.657 177.300 -0.360 0.000 1.209 224 P CA 0.425 63.053 63.100 -0.787 0.000 0.763 224 P CB 1.188 32.558 31.700 -0.550 0.000 0.816 225 A N 4.722 127.356 122.820 -0.309 0.000 1.903 225 A HA -0.280 4.006 4.320 -0.055 0.000 0.219 225 A C 2.104 179.629 177.584 -0.098 0.000 1.191 225 A CA 1.822 53.774 52.037 -0.141 0.000 0.638 225 A CB -1.311 17.635 19.000 -0.090 0.000 0.823 225 A HN 0.596 nan 8.150 nan 0.000 0.451 226 E N -0.089 120.043 120.200 -0.113 0.000 2.236 226 E HA -0.306 4.011 4.350 -0.055 0.000 0.205 226 E C 1.900 178.478 176.600 -0.036 0.000 1.028 226 E CA 2.041 58.405 56.400 -0.060 0.000 0.827 226 E CB -0.272 29.390 29.700 -0.064 0.000 0.735 226 E HN 0.810 nan 8.360 nan 0.000 0.470 227 Q N -0.649 119.118 119.800 -0.054 0.000 2.389 227 Q HA 0.061 4.368 4.340 -0.055 0.000 0.204 227 Q C 2.123 178.133 176.000 0.017 0.000 0.944 227 Q CA 0.289 56.082 55.803 -0.017 0.000 0.908 227 Q CB 0.264 28.985 28.738 -0.028 0.000 1.002 227 Q HN 0.362 nan 8.270 nan 0.000 0.493 228 L N -0.452 120.776 121.223 0.008 0.000 2.599 228 L HA 0.138 4.445 4.340 -0.055 0.000 0.230 228 L C 1.015 177.973 176.870 0.146 0.000 1.141 228 L CA 0.255 55.132 54.840 0.061 0.000 0.877 228 L CB -0.277 41.758 42.059 -0.040 0.000 1.009 228 L HN 0.275 nan 8.230 nan 0.000 0.447 229 G N 1.733 110.582 108.800 0.081 0.000 2.283 229 G HA2 -0.300 3.626 3.960 -0.055 0.000 0.280 229 G HA3 -0.300 3.626 3.960 -0.055 0.000 0.280 229 G C -0.028 174.918 174.900 0.076 0.000 1.029 229 G CA 0.410 45.554 45.100 0.072 0.000 0.840 229 G HN 0.401 nan 8.290 nan 0.000 0.505 230 I N -0.521 120.083 120.570 0.056 0.000 2.619 230 I HA 0.287 4.424 4.170 -0.055 0.000 0.292 230 I C -0.587 175.541 176.117 0.018 0.000 1.100 230 I CA -1.050 60.279 61.300 0.048 0.000 1.043 230 I CB 1.907 39.945 38.000 0.063 0.000 1.239 230 I HN -0.107 nan 8.210 nan 0.000 0.420 231 D N 5.621 126.032 120.400 0.018 0.000 2.350 231 D HA 0.209 4.816 4.640 -0.055 0.000 0.249 231 D C -0.061 176.245 176.300 0.010 0.000 1.119 231 D CA -0.193 53.814 54.000 0.012 0.000 0.886 231 D CB 1.474 42.282 40.800 0.014 0.000 1.195 231 D HN 0.157 nan 8.370 nan 0.000 0.437 232 I N 2.746 123.322 120.570 0.009 0.000 2.576 232 I HA -0.031 4.105 4.170 -0.055 0.000 0.288 232 I C 0.814 176.934 176.117 0.005 0.000 1.126 232 I CA 0.270 61.574 61.300 0.007 0.000 1.362 232 I CB -1.396 36.613 38.000 0.015 0.000 1.419 232 I HN 0.192 nan 8.210 nan 0.000 0.533 233 S N 4.008 119.707 115.700 -0.000 0.000 2.588 233 S HA 0.457 4.894 4.470 -0.055 0.000 0.269 233 S C 0.506 175.101 174.600 -0.009 0.000 1.157 233 S CA -0.867 57.330 58.200 -0.004 0.000 0.824 233 S CB 1.744 64.943 63.200 -0.001 0.000 1.126 233 S HN 0.122 nan 8.310 nan 0.000 0.464 234 V N 1.466 121.371 119.914 -0.015 0.000 2.469 234 V HA -0.208 3.879 4.120 -0.055 0.000 0.251 234 V C 2.539 178.625 176.094 -0.013 0.000 1.064 234 V CA 2.307 64.595 62.300 -0.019 0.000 1.066 234 V CB -1.105 30.703 31.823 -0.025 0.000 0.667 234 V HN 0.849 nan 8.190 nan 0.000 0.461 235 Q N 0.197 119.992 119.800 -0.008 0.000 2.124 235 Q HA -0.119 4.188 4.340 -0.055 0.000 0.202 235 Q C 1.604 177.606 176.000 0.003 0.000 0.977 235 Q CA 1.551 57.351 55.803 -0.004 0.000 0.850 235 Q CB -0.513 28.224 28.738 -0.002 0.000 0.901 235 Q HN 0.773 nan 8.270 nan 0.000 0.429 236 N N -0.322 118.381 118.700 0.006 0.000 2.295 236 N HA 0.151 4.858 4.740 -0.055 0.000 0.221 236 N C 0.774 176.291 175.510 0.012 0.000 1.129 236 N CA -0.205 52.854 53.050 0.015 0.000 0.836 236 N CB 0.280 38.779 38.487 0.020 0.000 1.040 236 N HN 0.116 nan 8.380 nan 0.000 0.494 237 L N 0.667 121.891 121.223 0.002 0.000 1.994 237 L HA -0.202 4.105 4.340 -0.055 0.000 0.208 237 L C 2.381 179.251 176.870 -0.001 0.000 1.071 237 L CA 1.428 56.265 54.840 -0.005 0.000 0.745 237 L CB -0.405 41.645 42.059 -0.015 0.000 0.892 237 L HN 0.354 nan 8.230 nan 0.000 0.431 238 S N -0.530 115.174 115.700 0.006 0.000 2.387 238 S HA -0.291 4.145 4.470 -0.055 0.000 0.230 238 S C 1.983 176.603 174.600 0.034 0.000 1.035 238 S CA 1.355 59.564 58.200 0.015 0.000 1.014 238 S CB -0.496 62.716 63.200 0.020 0.000 0.836 238 S HN 0.386 nan 8.310 nan 0.000 0.466 239 R N 0.866 121.395 120.500 0.049 0.000 2.073 239 R HA 0.247 4.554 4.340 -0.055 0.000 0.229 239 R C 2.361 178.681 176.300 0.033 0.000 1.120 239 R CA 1.237 57.392 56.100 0.091 0.000 0.967 239 R CB -0.586 29.790 30.300 0.126 0.000 0.862 239 R HN 0.413 nan 8.270 nan 0.000 0.436 240 L N 0.597 121.820 121.223 0.001 0.000 2.187 240 L HA -0.229 4.078 4.340 -0.055 0.000 0.213 240 L C 2.358 179.198 176.870 -0.049 0.000 1.100 240 L CA 1.377 56.192 54.840 -0.041 0.000 0.765 240 L CB -0.387 41.658 42.059 -0.022 0.000 0.904 240 L HN 0.275 nan 8.230 nan 0.000 0.437 241 Q N -0.130 119.653 119.800 -0.029 0.000 2.049 241 Q HA -0.186 4.121 4.340 -0.055 0.000 0.198 241 Q C 2.113 178.091 176.000 -0.037 0.000 0.971 241 Q CA 1.339 57.120 55.803 -0.036 0.000 0.833 241 Q CB -0.114 28.603 28.738 -0.034 0.000 0.896 241 Q HN 0.550 nan 8.270 nan 0.000 0.434 242 E N 1.078 121.276 120.200 -0.003 0.000 2.065 242 E HA -0.253 4.063 4.350 -0.055 0.000 0.201 242 E C 1.973 178.537 176.600 -0.060 0.000 1.016 242 E CA 1.345 57.763 56.400 0.031 0.000 0.818 242 E CB -0.243 29.541 29.700 0.139 0.000 0.749 242 E HN 0.357 nan 8.360 nan 0.000 0.453 243 A N 1.029 123.719 122.820 -0.218 0.000 1.972 243 A HA -0.076 4.211 4.320 -0.055 0.000 0.219 243 A C 2.411 179.861 177.584 -0.224 0.000 1.169 243 A CA 1.635 53.398 52.037 -0.457 0.000 0.635 243 A CB -1.008 17.567 19.000 -0.707 0.000 0.810 243 A HN 0.364 nan 8.150 nan 0.000 0.446 244 G N -0.480 108.243 108.800 -0.127 0.000 2.402 244 G HA2 -0.214 3.712 3.960 -0.055 0.000 0.216 244 G HA3 -0.214 3.712 3.960 -0.055 0.000 0.216 244 G C 1.443 176.318 174.900 -0.042 0.000 1.162 244 G CA 1.222 46.286 45.100 -0.061 0.000 0.777 244 G HN 0.565 nan 8.290 nan 0.000 0.539 245 E N 0.262 120.433 120.200 -0.047 0.000 2.058 245 E HA -0.055 4.261 4.350 -0.055 0.000 0.194 245 E C 2.494 179.087 176.600 -0.011 0.000 0.997 245 E CA 0.794 57.171 56.400 -0.039 0.000 0.801 245 E CB -0.373 29.293 29.700 -0.056 0.000 0.746 245 E HN 0.425 nan 8.360 nan 0.000 0.450 246 L N 0.055 121.276 121.223 -0.002 0.000 2.083 246 L HA -0.130 4.177 4.340 -0.055 0.000 0.209 246 L C 2.524 179.402 176.870 0.013 0.000 1.083 246 L CA 0.814 55.672 54.840 0.030 0.000 0.752 246 L CB -0.270 41.821 42.059 0.054 0.000 0.899 246 L HN 0.265 nan 8.230 nan 0.000 0.433 247 L N -0.743 120.470 121.223 -0.017 0.000 2.072 247 L HA -0.155 4.151 4.340 -0.055 0.000 0.205 247 L C 2.935 179.812 176.870 0.011 0.000 1.079 247 L CA 0.964 55.801 54.840 -0.005 0.000 0.752 247 L CB -0.264 41.782 42.059 -0.022 0.000 0.906 247 L HN 0.218 nan 8.230 nan 0.000 0.436 248 R N -0.519 119.984 120.500 0.006 0.000 2.081 248 R HA -0.157 4.150 4.340 -0.055 0.000 0.235 248 R C 2.014 178.321 176.300 0.011 0.000 1.131 248 R CA 2.149 58.255 56.100 0.009 0.000 0.960 248 R CB -0.601 29.701 30.300 0.004 0.000 0.856 248 R HN 0.340 nan 8.270 nan 0.000 0.436 249 T N 0.797 115.359 114.554 0.014 0.000 2.684 249 T HA -0.166 4.151 4.350 -0.055 0.000 0.267 249 T C 1.609 176.326 174.700 0.027 0.000 1.036 249 T CA 1.780 63.894 62.100 0.023 0.000 1.148 249 T CB -0.230 68.660 68.868 0.037 0.000 0.863 249 T HN 0.268 nan 8.240 nan 0.000 0.436 250 E N 0.633 120.851 120.200 0.030 0.000 2.152 250 E HA 0.048 4.365 4.350 -0.055 0.000 0.192 250 E C 1.987 178.603 176.600 0.027 0.000 0.983 250 E CA 0.677 57.096 56.400 0.032 0.000 0.818 250 E CB -0.451 29.271 29.700 0.038 0.000 0.758 250 E HN 0.499 nan 8.360 nan 0.000 0.467 251 I N 0.606 121.190 120.570 0.023 0.000 2.202 251 I HA -0.264 3.872 4.170 -0.055 0.000 0.242 251 I C 1.769 177.890 176.117 0.007 0.000 1.091 251 I CA 0.896 62.208 61.300 0.020 0.000 1.368 251 I CB -0.179 37.836 38.000 0.024 0.000 1.058 251 I HN 0.150 nan 8.210 nan 0.000 0.410 252 N N 0.359 119.061 118.700 0.003 0.000 2.244 252 N HA -0.174 4.533 4.740 -0.055 0.000 0.183 252 N C 1.915 177.426 175.510 0.002 0.000 1.016 252 N CA 0.781 53.827 53.050 -0.007 0.000 0.866 252 N CB -0.326 38.159 38.487 -0.003 0.000 0.980 252 N HN 0.305 nan 8.380 nan 0.000 0.430 253 R N 1.041 121.548 120.500 0.012 0.000 2.062 253 R HA 0.073 4.379 4.340 -0.055 0.000 0.229 253 R C 1.726 178.035 176.300 0.016 0.000 1.128 253 R CA 1.116 57.226 56.100 0.016 0.000 0.960 253 R CB -0.134 30.180 30.300 0.023 0.000 0.855 253 R HN 0.096 nan 8.270 nan 0.000 0.432 254 S N -0.300 115.411 115.700 0.018 0.000 2.406 254 S HA 0.064 4.501 4.470 -0.055 0.000 0.224 254 S C 0.518 175.129 174.600 0.018 0.000 1.030 254 S CA 0.355 58.566 58.200 0.019 0.000 0.958 254 S CB 0.489 63.704 63.200 0.024 0.000 0.811 254 S HN 0.060 nan 8.310 nan 0.000 0.489 255 V N 3.249 123.172 119.914 0.015 0.000 2.407 255 V HA 0.373 4.460 4.120 -0.055 0.000 0.291 255 V C -0.546 175.546 176.094 -0.003 0.000 1.018 255 V CA -1.029 61.282 62.300 0.018 0.000 0.842 255 V CB 1.714 33.557 31.823 0.034 0.000 0.996 255 V HN 0.047 nan 8.190 nan 0.000 0.426 256 K N 3.789 124.192 120.400 0.005 0.000 2.249 256 K HA 0.560 4.847 4.320 -0.055 0.000 0.280 256 K C -0.268 176.313 176.600 -0.032 0.000 1.033 256 K CA -0.163 56.114 56.287 -0.017 0.000 0.946 256 K CB 1.897 34.399 32.500 0.003 0.000 1.005 256 K HN 0.667 nan 8.250 nan 0.000 0.469 257 V N -0.149 119.664 119.914 -0.168 0.000 2.864 257 V HA 0.664 4.751 4.120 -0.055 0.000 0.314 257 V C -0.815 175.099 176.094 -0.300 0.000 1.073 257 V CA -0.870 61.193 62.300 -0.395 0.000 0.956 257 V CB 1.939 33.079 31.823 -1.139 0.000 1.023 257 V HN 0.675 nan 8.190 nan 0.000 0.435 258 Q N 1.489 121.180 119.800 -0.181 0.000 2.284 258 Q HA 0.368 4.675 4.340 -0.055 0.000 0.269 258 Q C -1.232 174.905 176.000 0.228 0.000 1.026 258 Q CA -0.356 55.470 55.803 0.037 0.000 0.831 258 Q CB 1.562 30.350 28.738 0.083 0.000 1.322 258 Q HN 1.066 nan 8.270 nan 0.000 0.419 259 H N 5.970 125.164 119.070 0.207 0.000 2.767 259 H HA 0.212 4.735 4.556 -0.056 0.000 0.316 259 H C -1.734 173.613 175.328 0.032 0.000 1.059 259 H CA -1.619 54.511 56.048 0.137 0.000 1.461 259 H CB 1.463 31.136 29.762 -0.149 0.000 1.475 259 H HN 0.558 nan 8.280 nan 0.000 0.531 260 P HA -0.064 nan 4.420 nan 0.000 0.234 260 P C 0.281 177.615 177.300 0.058 0.000 1.167 260 P CA 0.923 64.005 63.100 -0.030 0.000 0.763 260 P CB 0.575 32.172 31.700 -0.171 0.000 0.835 261 Q N -1.412 118.543 119.800 0.259 0.000 2.245 261 Q HA 0.296 4.603 4.340 -0.055 0.000 0.250 261 Q C 0.429 176.497 176.000 0.113 0.000 0.830 261 Q CA 0.301 56.209 55.803 0.175 0.000 0.950 261 Q CB 0.569 29.410 28.738 0.171 0.000 1.124 261 Q HN 0.176 nan 8.270 nan 0.000 0.502 262 L N 1.655 122.927 121.223 0.082 0.000 2.384 262 L HA 0.369 4.676 4.340 -0.055 0.000 0.261 262 L C -2.027 174.801 176.870 -0.071 0.000 1.024 262 L CA -1.612 53.156 54.840 -0.121 0.000 0.899 262 L CB 1.582 43.318 42.059 -0.537 0.000 1.243 262 L HN -0.078 nan 8.230 nan 0.000 0.449 263 P HA -0.189 nan 4.420 nan 0.000 0.219 263 P C 1.342 178.671 177.300 0.049 0.000 1.146 263 P CA 1.163 64.296 63.100 0.055 0.000 0.808 263 P CB -0.077 31.667 31.700 0.073 0.000 0.779 264 H N -1.049 118.037 119.070 0.027 0.000 2.545 264 H HA 0.054 4.577 4.556 -0.056 0.000 0.282 264 H C 0.395 175.762 175.328 0.066 0.000 1.020 264 H CA 0.367 56.435 56.048 0.032 0.000 1.243 264 H CB -0.722 29.048 29.762 0.013 0.000 1.377 264 H HN 0.162 nan 8.280 nan 0.000 0.581 265 I N 3.347 123.715 120.570 -0.336 0.000 2.307 265 I HA 0.114 4.251 4.170 -0.055 0.000 0.289 265 I C 0.166 176.356 176.117 0.121 0.000 1.021 265 I CA -0.233 60.998 61.300 -0.114 0.000 1.224 265 I CB 0.769 38.644 38.000 -0.208 0.000 1.376 265 I HN 0.333 nan 8.210 nan 0.000 0.470 266 N N 3.479 122.242 118.700 0.105 0.000 2.453 266 N HA 0.087 4.794 4.740 -0.055 0.000 0.267 266 N C -0.388 175.096 175.510 -0.044 0.000 1.482 266 N CA -0.390 52.667 53.050 0.011 0.000 0.841 266 N CB 0.908 39.403 38.487 0.014 0.000 1.408 266 N HN 0.567 nan 8.380 nan 0.000 0.490 267 T N -3.004 111.549 114.554 -0.001 0.000 2.787 267 T HA 0.483 4.800 4.350 -0.055 0.000 0.297 267 T C -0.947 173.760 174.700 0.012 0.000 1.221 267 T CA -0.573 61.507 62.100 -0.034 0.000 1.006 267 T CB 2.148 71.029 68.868 0.022 0.000 1.328 267 T HN -0.125 nan 8.240 nan 0.000 0.509 268 V N 2.386 122.291 119.914 -0.015 0.000 2.311 268 V HA 0.334 4.421 4.120 -0.055 0.000 0.275 268 V C -0.135 175.962 176.094 0.004 0.000 1.022 268 V CA -0.459 61.852 62.300 0.018 0.000 0.830 268 V CB 0.963 32.776 31.823 -0.016 0.000 1.012 268 V HN 0.948 nan 8.190 nan 0.000 0.452 269 D N 2.158 122.545 120.400 -0.022 0.000 2.346 269 D HA 0.128 4.735 4.640 -0.055 0.000 0.206 269 D C 0.315 176.568 176.300 -0.078 0.000 1.001 269 D CA 0.662 54.643 54.000 -0.031 0.000 0.871 269 D CB 0.433 41.226 40.800 -0.011 0.000 0.943 269 D HN 0.563 nan 8.370 nan 0.000 0.518 270 C N 0.173 119.332 119.300 -0.234 0.000 2.888 270 C HA 0.630 5.057 4.460 -0.055 0.000 0.308 270 C C -0.193 174.743 174.990 -0.089 0.000 1.213 270 C CA -1.019 57.850 59.018 -0.247 0.000 1.461 270 C CB 2.161 29.450 27.740 -0.752 0.000 1.934 270 C HN -0.142 nan 8.230 nan 0.000 0.474 271 V N 1.837 121.804 119.914 0.088 0.000 2.409 271 V HA 0.423 4.510 4.120 -0.055 0.000 0.291 271 V C -0.119 176.116 176.094 0.235 0.000 1.020 271 V CA -0.136 62.260 62.300 0.159 0.000 0.848 271 V CB 1.501 33.373 31.823 0.082 0.000 0.990 271 V HN 0.912 nan 8.190 nan 0.000 0.430 272 E N 5.185 125.561 120.200 0.293 0.000 2.081 272 E HA 0.483 4.800 4.350 -0.055 0.000 0.276 272 E C -1.066 175.637 176.600 0.171 0.000 0.950 272 E CA -0.529 56.005 56.400 0.225 0.000 0.776 272 E CB 0.934 30.744 29.700 0.184 0.000 1.094 272 E HN 0.639 nan 8.360 nan 0.000 0.402 273 I N 6.070 126.705 120.570 0.108 0.000 2.304 273 I HA 0.220 4.356 4.170 -0.055 0.000 0.291 273 I C -0.456 175.727 176.117 0.109 0.000 1.018 273 I CA -0.821 60.516 61.300 0.063 0.000 1.260 273 I CB 0.287 38.288 38.000 0.003 0.000 1.390 273 I HN 0.458 nan 8.210 nan 0.000 0.475 274 Y N 4.636 124.952 120.300 0.025 0.000 2.509 274 Y HA 0.992 5.509 4.550 -0.055 0.000 0.341 274 Y C -0.042 175.889 175.900 0.051 0.000 1.038 274 Y CA -0.886 57.249 58.100 0.058 0.000 1.089 274 Y CB 1.803 40.307 38.460 0.073 0.000 1.241 274 Y HN 0.586 nan 8.280 nan 0.000 0.468 275 G N 0.977 109.933 108.800 0.260 0.000 2.606 275 G HA2 0.538 4.465 3.960 -0.055 0.000 0.300 275 G HA3 0.538 4.465 3.960 -0.055 0.000 0.300 275 G C -3.409 171.699 174.900 0.347 0.000 1.360 275 G CA -1.864 43.341 45.100 0.175 0.000 0.783 275 G HN 0.495 nan 8.290 nan 0.000 0.484 276 P HA 0.232 nan 4.420 nan 0.000 0.267 276 P C -2.383 175.010 177.300 0.155 0.000 1.200 276 P CA -0.723 62.507 63.100 0.217 0.000 0.772 276 P CB 0.283 32.056 31.700 0.121 0.000 0.855 277 P HA 0.163 nan 4.420 nan 0.000 0.276 277 P C 0.182 177.498 177.300 0.026 0.000 1.252 277 P CA -0.010 63.124 63.100 0.056 0.000 0.802 277 P CB 0.737 32.428 31.700 -0.014 0.000 1.035 278 T N -1.704 112.859 114.554 0.015 0.000 3.026 278 T HA 0.044 4.361 4.350 -0.055 0.000 0.245 278 T C 0.842 175.536 174.700 -0.010 0.000 1.004 278 T CA 0.359 62.460 62.100 0.002 0.000 1.069 278 T CB -0.354 68.515 68.868 0.002 0.000 1.005 278 T HN 0.424 nan 8.240 nan 0.000 0.472 279 N N 2.917 121.609 118.700 -0.014 0.000 2.442 279 N HA 0.111 4.817 4.740 -0.055 0.000 0.265 279 N C -1.879 173.609 175.510 -0.036 0.000 1.138 279 N CA -1.840 51.197 53.050 -0.023 0.000 0.956 279 N CB 1.768 40.242 38.487 -0.022 0.000 1.067 279 N HN 0.044 nan 8.380 nan 0.000 0.474 280 P HA -0.065 nan 4.420 nan 0.000 0.226 280 P C 0.423 177.682 177.300 -0.068 0.000 1.153 280 P CA 0.955 64.024 63.100 -0.052 0.000 0.777 280 P CB 0.412 32.088 31.700 -0.040 0.000 0.794 281 E N -0.240 119.925 120.200 -0.059 0.000 2.401 281 E HA 0.038 4.355 4.350 -0.055 0.000 0.199 281 E C 0.605 177.142 176.600 -0.104 0.000 1.023 281 E CA 0.065 56.425 56.400 -0.068 0.000 0.859 281 E CB -0.054 29.620 29.700 -0.044 0.000 0.780 281 E HN 0.234 nan 8.360 nan 0.000 0.523 282 A N 0.555 123.304 122.820 -0.118 0.000 2.318 282 A HA 0.285 4.572 4.320 -0.055 0.000 0.324 282 A C 0.126 177.545 177.584 -0.274 0.000 1.170 282 A CA -0.656 51.280 52.037 -0.169 0.000 0.810 282 A CB 0.773 19.727 19.000 -0.078 0.000 1.198 282 A HN 0.000 nan 8.150 nan 0.000 0.484 283 N N 0.367 118.777 118.700 -0.483 0.000 2.069 283 N HA -0.051 4.656 4.740 -0.055 0.000 0.191 283 N C -0.425 174.629 175.510 -0.760 0.000 1.031 283 N CA 2.090 54.727 53.050 -0.689 0.000 0.852 283 N CB -0.250 37.654 38.487 -0.971 0.000 1.018 283 N HN 0.755 nan 8.380 nan 0.000 0.423 284 Y N -1.759 118.422 120.300 -0.199 0.000 2.689 284 Y HA 0.429 4.947 4.550 -0.055 0.000 0.333 284 Y C -0.414 175.654 175.900 0.279 0.000 1.190 284 Y CA -1.167 56.984 58.100 0.085 0.000 1.063 284 Y CB 1.331 39.903 38.460 0.186 0.000 1.294 284 Y HN -0.377 nan 8.280 nan 0.000 0.466 285 K N 1.313 121.997 120.400 0.474 0.000 2.259 285 K HA 0.627 4.914 4.320 -0.055 0.000 0.249 285 K C -1.579 175.147 176.600 0.210 0.000 0.942 285 K CA -0.583 55.859 56.287 0.259 0.000 0.816 285 K CB 1.769 34.354 32.500 0.140 0.000 1.155 285 K HN 0.917 nan 8.250 nan 0.000 0.428 286 N N 0.125 118.785 118.700 -0.068 0.000 2.484 286 N HA 0.361 5.067 4.740 -0.055 0.000 0.269 286 N C -2.117 173.306 175.510 -0.144 0.000 1.237 286 N CA -0.947 52.021 53.050 -0.135 0.000 0.838 286 N CB 2.212 40.456 38.487 -0.405 0.000 1.593 286 N HN 0.203 nan 8.380 nan 0.000 0.485 287 V N 1.588 121.463 119.914 -0.065 0.000 2.604 287 V HA 0.656 4.743 4.120 -0.055 0.000 0.305 287 V C -1.183 174.921 176.094 0.017 0.000 1.043 287 V CA -0.574 61.702 62.300 -0.040 0.000 0.888 287 V CB 1.741 33.554 31.823 -0.017 0.000 0.995 287 V HN 0.650 nan 8.190 nan 0.000 0.429 288 V N 7.584 127.534 119.914 0.061 0.000 2.394 288 V HA 0.507 4.593 4.120 -0.055 0.000 0.282 288 V C -0.252 175.997 176.094 0.257 0.000 1.031 288 V CA -0.601 61.802 62.300 0.173 0.000 0.881 288 V CB 1.558 33.501 31.823 0.201 0.000 0.982 288 V HN 0.632 nan 8.190 nan 0.000 0.451 289 I N 6.954 127.651 120.570 0.212 0.000 2.359 289 I HA 0.624 4.761 4.170 -0.055 0.000 0.294 289 I C -0.176 176.080 176.117 0.233 0.000 0.987 289 I CA -0.279 61.112 61.300 0.152 0.000 1.225 289 I CB 0.752 38.778 38.000 0.042 0.000 1.366 289 I HN 0.728 nan 8.210 nan 0.000 0.466 290 F N 2.557 122.500 119.950 -0.011 0.000 3.052 290 F HA 0.809 5.304 4.527 -0.053 0.000 0.323 290 F C 0.449 176.245 175.800 -0.008 0.000 1.178 290 F CA -0.244 57.745 58.000 -0.018 0.000 0.892 290 F CB 0.702 39.696 39.000 -0.009 0.000 1.416 290 F HN 0.791 nan 8.300 nan 0.000 0.488 291 G N 1.584 110.364 108.800 -0.033 0.000 2.566 291 G HA2 -0.350 3.577 3.960 -0.055 0.000 0.280 291 G HA3 -0.350 3.577 3.960 -0.055 0.000 0.280 291 G C -0.505 174.286 174.900 -0.182 0.000 1.225 291 G CA 0.465 45.462 45.100 -0.172 0.000 0.966 291 G HN 1.347 nan 8.290 nan 0.000 0.560 292 N N 2.179 120.751 118.700 -0.213 0.000 3.178 292 N HA 0.230 4.937 4.740 -0.055 0.000 0.300 292 N C 1.299 176.691 175.510 -0.196 0.000 1.242 292 N CA 0.824 53.769 53.050 -0.175 0.000 1.192 292 N CB -0.927 37.472 38.487 -0.147 0.000 1.463 292 N HN 0.996 nan 8.380 nan 0.000 0.539 293 R N 0.622 121.007 120.500 -0.192 0.000 3.034 293 R HA -0.308 3.998 4.340 -0.055 0.000 0.237 293 R C -0.765 175.406 176.300 -0.215 0.000 0.861 293 R CA 0.905 56.898 56.100 -0.179 0.000 0.588 293 R CB -2.220 28.002 30.300 -0.130 0.000 1.035 293 R HN 0.673 nan 8.270 nan 0.000 0.488 294 Q N 0.492 120.071 119.800 -0.368 0.000 2.212 294 Q HA 0.726 5.033 4.340 -0.055 0.000 0.238 294 Q C -0.450 175.360 176.000 -0.317 0.000 0.955 294 Q CA -0.589 54.997 55.803 -0.360 0.000 0.906 294 Q CB 1.628 30.085 28.738 -0.468 0.000 1.215 294 Q HN 0.425 nan 8.270 nan 0.000 0.478 295 A N 1.197 123.937 122.820 -0.132 0.000 2.337 295 A HA 0.322 4.609 4.320 -0.055 0.000 0.329 295 A C -1.019 176.638 177.584 0.122 0.000 1.146 295 A CA -0.730 51.316 52.037 0.015 0.000 0.800 295 A CB 1.315 20.313 19.000 -0.003 0.000 1.220 295 A HN 0.779 nan 8.150 nan 0.000 0.472 296 D N 0.728 121.264 120.400 0.227 0.000 2.383 296 D HA 0.272 4.879 4.640 -0.055 0.000 0.252 296 D C 1.020 177.307 176.300 -0.021 0.000 1.166 296 D CA 0.042 54.121 54.000 0.132 0.000 0.879 296 D CB 0.906 41.731 40.800 0.043 0.000 1.164 296 D HN 0.431 nan 8.370 nan 0.000 0.462 297 R N 1.256 121.711 120.500 -0.075 0.000 2.200 297 R HA 0.049 4.356 4.340 -0.055 0.000 0.208 297 R C 1.100 177.292 176.300 -0.180 0.000 1.033 297 R CA 0.148 56.182 56.100 -0.111 0.000 1.000 297 R CB -0.227 30.014 30.300 -0.099 0.000 0.906 297 R HN 0.455 nan 8.270 nan 0.000 0.462 298 S N 0.447 116.001 115.700 -0.243 0.000 2.617 298 S HA 0.179 4.616 4.470 -0.055 0.000 0.259 298 S C -1.804 172.543 174.600 -0.422 0.000 1.301 298 S CA -1.178 56.796 58.200 -0.377 0.000 0.984 298 S CB 0.996 64.005 63.200 -0.318 0.000 0.954 298 S HN -0.147 nan 8.310 nan 0.000 0.572 299 P HA 0.185 nan 4.420 nan 0.000 0.241 299 P C -0.056 177.096 177.300 -0.248 0.000 1.191 299 P CA 0.226 63.042 63.100 -0.473 0.000 0.771 299 P CB -0.669 30.745 31.700 -0.477 0.000 0.929 300 C N -1.082 118.173 119.300 -0.074 0.000 1.895 300 C HA -0.060 4.367 4.460 -0.055 0.000 0.262 300 C C 2.002 177.094 174.990 0.169 0.000 0.685 300 C CA -0.306 58.748 59.018 0.060 0.000 3.057 300 C CB -1.932 25.774 27.740 -0.057 0.000 1.754 300 C HN 0.514 nan 8.230 nan 0.000 0.321 301 G N 4.239 113.148 108.800 0.181 0.000 2.402 301 G HA2 -0.069 3.858 3.960 -0.055 0.000 0.216 301 G HA3 -0.069 3.858 3.960 -0.055 0.000 0.216 301 G C 1.467 176.316 174.900 -0.084 0.000 1.162 301 G CA 1.949 47.059 45.100 0.018 0.000 0.777 301 G HN 1.635 nan 8.290 nan 0.000 0.539 302 T N -0.959 113.526 114.554 -0.116 0.000 2.821 302 T HA 0.072 4.389 4.350 -0.055 0.000 0.267 302 T C 2.455 176.956 174.700 -0.333 0.000 1.046 302 T CA 1.544 63.556 62.100 -0.146 0.000 1.139 302 T CB -0.589 68.267 68.868 -0.021 0.000 0.871 302 T HN 0.226 nan 8.240 nan 0.000 0.454 303 G N 1.195 109.704 108.800 -0.486 0.000 2.408 303 G HA2 -0.135 3.792 3.960 -0.055 0.000 0.217 303 G HA3 -0.135 3.792 3.960 -0.055 0.000 0.217 303 G C 1.698 176.331 174.900 -0.445 0.000 1.150 303 G CA 1.247 45.683 45.100 -1.106 0.000 0.776 303 G HN 0.511 nan 8.290 nan 0.000 0.542 304 T N 1.660 116.154 114.554 -0.101 0.000 2.684 304 T HA -0.145 4.172 4.350 -0.055 0.000 0.267 304 T C 2.858 177.479 174.700 -0.131 0.000 1.036 304 T CA 1.714 63.880 62.100 0.111 0.000 1.148 304 T CB -0.331 68.711 68.868 0.290 0.000 0.863 304 T HN 0.327 nan 8.240 nan 0.000 0.436 305 S N 1.687 117.276 115.700 -0.186 0.000 2.382 305 S HA -0.037 4.400 4.470 -0.055 0.000 0.228 305 S C 2.542 176.980 174.600 -0.270 0.000 1.027 305 S CA 0.916 58.985 58.200 -0.218 0.000 0.991 305 S CB -0.530 62.544 63.200 -0.211 0.000 0.823 305 S HN 0.599 nan 8.310 nan 0.000 0.469 306 A N 1.818 124.425 122.820 -0.356 0.000 1.897 306 A HA -0.048 4.239 4.320 -0.055 0.000 0.215 306 A C 2.062 179.479 177.584 -0.279 0.000 1.181 306 A CA 1.791 53.626 52.037 -0.337 0.000 0.620 306 A CB -0.499 18.209 19.000 -0.487 0.000 0.821 306 A HN 0.384 nan 8.150 nan 0.000 0.443 307 K N -0.247 119.960 120.400 -0.322 0.000 2.057 307 K HA -0.038 4.249 4.320 -0.055 0.000 0.207 307 K C 1.962 178.298 176.600 -0.439 0.000 1.049 307 K CA 1.887 57.955 56.287 -0.365 0.000 0.931 307 K CB -0.390 31.872 32.500 -0.398 0.000 0.714 307 K HN 0.481 nan 8.250 nan 0.000 0.440 308 M N -0.299 119.004 119.600 -0.494 0.000 2.159 308 M HA -0.134 4.313 4.480 -0.055 0.000 0.263 308 M C 2.214 178.397 176.300 -0.195 0.000 1.063 308 M CA 1.708 56.748 55.300 -0.434 0.000 1.110 308 M CB -0.359 32.010 32.600 -0.385 0.000 1.374 308 M HN 0.303 nan 8.290 nan 0.000 0.411 309 A N -0.242 122.485 122.820 -0.154 0.000 1.972 309 A HA -0.136 4.150 4.320 -0.055 0.000 0.219 309 A C 2.175 179.774 177.584 0.025 0.000 1.169 309 A CA 2.144 54.158 52.037 -0.038 0.000 0.635 309 A CB -0.972 18.010 19.000 -0.031 0.000 0.810 309 A HN 0.450 nan 8.150 nan 0.000 0.446 310 T N 0.410 114.934 114.554 -0.051 0.000 2.732 310 T HA -0.025 4.292 4.350 -0.055 0.000 0.261 310 T C 1.855 176.538 174.700 -0.027 0.000 1.040 310 T CA 1.376 63.459 62.100 -0.027 0.000 1.145 310 T CB -0.397 68.429 68.868 -0.069 0.000 0.866 310 T HN 0.372 nan 8.240 nan 0.000 0.427 311 L N -0.310 120.863 121.223 -0.085 0.000 2.012 311 L HA -0.138 4.168 4.340 -0.055 0.000 0.210 311 L C 2.404 179.267 176.870 -0.011 0.000 1.073 311 L CA 1.758 56.563 54.840 -0.060 0.000 0.748 311 L CB -0.720 41.278 42.059 -0.103 0.000 0.891 311 L HN 0.254 nan 8.230 nan 0.000 0.431 312 Y N 0.802 121.050 120.300 -0.086 0.000 2.128 312 Y HA -0.332 4.184 4.550 -0.056 0.000 0.284 312 Y C 2.582 178.468 175.900 -0.022 0.000 1.154 312 Y CA 1.539 59.609 58.100 -0.050 0.000 1.149 312 Y CB -0.313 38.115 38.460 -0.054 0.000 0.976 312 Y HN 0.127 nan 8.280 nan 0.000 0.505 313 A N 0.166 123.077 122.820 0.153 0.000 1.948 313 A HA -0.250 4.037 4.320 -0.055 0.000 0.220 313 A C 2.026 179.597 177.584 -0.021 0.000 1.177 313 A CA 2.095 54.180 52.037 0.080 0.000 0.636 313 A CB -0.595 18.467 19.000 0.104 0.000 0.815 313 A HN 0.530 nan 8.150 nan 0.000 0.449 314 K N -1.122 119.259 120.400 -0.032 0.000 2.522 314 K HA 0.231 4.518 4.320 -0.055 0.000 0.194 314 K C 0.902 177.453 176.600 -0.082 0.000 1.026 314 K CA 0.394 56.656 56.287 -0.041 0.000 1.119 314 K CB -0.252 32.238 32.500 -0.017 0.000 0.856 314 K HN 0.656 nan 8.250 nan 0.000 0.513 315 G N 2.171 110.872 108.800 -0.165 0.000 2.225 315 G HA2 -0.308 3.618 3.960 -0.055 0.000 0.267 315 G HA3 -0.308 3.618 3.960 -0.055 0.000 0.267 315 G C 0.273 175.098 174.900 -0.125 0.000 1.024 315 G CA 0.385 45.371 45.100 -0.191 0.000 0.784 315 G HN 0.511 nan 8.290 nan 0.000 0.507 316 Q N -1.703 118.040 119.800 -0.095 0.000 2.159 316 Q HA 0.584 4.891 4.340 -0.055 0.000 0.217 316 Q C 0.018 176.018 176.000 0.001 0.000 0.818 316 Q CA -0.137 55.648 55.803 -0.028 0.000 1.008 316 Q CB 1.286 30.025 28.738 0.001 0.000 1.148 316 Q HN 0.479 nan 8.270 nan 0.000 0.491 317 L N 0.451 121.664 121.223 -0.017 0.000 2.545 317 L HA 0.441 4.748 4.340 -0.055 0.000 0.258 317 L C -1.692 175.227 176.870 0.083 0.000 0.942 317 L CA -0.400 54.478 54.840 0.063 0.000 0.855 317 L CB 1.935 44.046 42.059 0.088 0.000 1.374 317 L HN -0.067 nan 8.230 nan 0.000 0.411 318 R N 3.705 124.275 120.500 0.118 0.000 2.720 318 R HA 0.681 4.988 4.340 -0.055 0.000 0.272 318 R C -0.340 176.107 176.300 0.246 0.000 0.991 318 R CA -1.022 55.166 56.100 0.146 0.000 1.010 318 R CB 1.655 31.996 30.300 0.068 0.000 1.141 318 R HN 0.767 nan 8.270 nan 0.000 0.494 319 I N -0.453 120.295 120.570 0.296 0.000 2.668 319 I HA 0.240 4.377 4.170 -0.055 0.000 0.285 319 I C 0.755 176.921 176.117 0.081 0.000 1.168 319 I CA 1.045 62.438 61.300 0.155 0.000 1.424 319 I CB 0.374 38.440 38.000 0.109 0.000 1.377 319 I HN 0.915 nan 8.210 nan 0.000 0.560 320 G N 4.049 112.876 108.800 0.045 0.000 2.254 320 G HA2 -0.282 3.644 3.960 -0.055 0.000 0.225 320 G HA3 -0.282 3.644 3.960 -0.055 0.000 0.225 320 G C 0.193 175.115 174.900 0.037 0.000 1.003 320 G CA 0.269 45.388 45.100 0.032 0.000 0.622 320 G HN 0.964 nan 8.290 nan 0.000 0.507 321 E N 1.492 121.726 120.200 0.056 0.000 2.354 321 E HA 0.481 4.798 4.350 -0.055 0.000 0.269 321 E C -0.170 176.474 176.600 0.073 0.000 1.036 321 E CA 0.064 56.499 56.400 0.059 0.000 0.876 321 E CB 0.408 30.151 29.700 0.072 0.000 1.009 321 E HN 0.129 nan 8.360 nan 0.000 0.416 322 T N 4.648 119.239 114.554 0.062 0.000 2.817 322 T HA 0.257 4.573 4.350 -0.055 0.000 0.293 322 T C -0.825 173.943 174.700 0.113 0.000 0.964 322 T CA -0.146 61.997 62.100 0.072 0.000 1.085 322 T CB 0.092 68.978 68.868 0.030 0.000 0.921 322 T HN 0.340 nan 8.240 nan 0.000 0.502 323 F N 3.866 123.800 119.950 -0.025 0.000 2.507 323 F HA 0.638 5.131 4.527 -0.056 0.000 0.325 323 F C -1.066 174.721 175.800 -0.022 0.000 1.116 323 F CA -0.868 57.103 58.000 -0.049 0.000 0.930 323 F CB 1.213 40.169 39.000 -0.073 0.000 1.146 323 F HN 0.262 nan 8.300 nan 0.000 0.447 324 V N 6.570 126.185 119.914 -0.497 0.000 2.448 324 V HA 0.346 4.433 4.120 -0.055 0.000 0.295 324 V C -1.353 174.554 176.094 -0.312 0.000 1.025 324 V CA -0.820 61.339 62.300 -0.235 0.000 0.859 324 V CB 1.382 33.115 31.823 -0.150 0.000 0.988 324 V HN 0.602 nan 8.190 nan 0.000 0.431 325 Y N 3.074 123.318 120.300 -0.094 0.000 2.364 325 Y HA 0.501 5.018 4.550 -0.055 0.000 0.340 325 Y C 0.144 176.019 175.900 -0.042 0.000 0.975 325 Y CA -1.489 56.594 58.100 -0.029 0.000 1.089 325 Y CB 1.901 40.464 38.460 0.173 0.000 1.192 325 Y HN 0.730 nan 8.280 nan 0.000 0.454 326 E N 2.455 122.765 120.200 0.183 0.000 2.204 326 E HA 0.456 4.773 4.350 -0.055 0.000 0.276 326 E C -0.535 176.005 176.600 -0.100 0.000 0.974 326 E CA -0.444 55.961 56.400 0.007 0.000 0.815 326 E CB 1.177 30.892 29.700 0.026 0.000 1.119 326 E HN 0.676 nan 8.360 nan 0.000 0.393 327 S N 3.437 119.041 115.700 -0.160 0.000 2.681 327 S HA 0.115 4.552 4.470 -0.055 0.000 0.270 327 S C 1.280 175.816 174.600 -0.108 0.000 1.209 327 S CA -0.548 57.544 58.200 -0.180 0.000 0.988 327 S CB 0.884 63.949 63.200 -0.225 0.000 1.006 327 S HN 0.748 nan 8.310 nan 0.000 0.558 328 I N 0.193 120.705 120.570 -0.096 0.000 2.335 328 I HA -0.103 4.034 4.170 -0.055 0.000 0.251 328 I C 1.673 177.753 176.117 -0.061 0.000 1.129 328 I CA 1.244 62.506 61.300 -0.062 0.000 1.402 328 I CB -0.166 37.802 38.000 -0.053 0.000 1.069 328 I HN 0.624 nan 8.210 nan 0.000 0.424 329 L N 0.910 122.085 121.223 -0.079 0.000 2.395 329 L HA 0.175 4.482 4.340 -0.055 0.000 0.218 329 L C 1.700 178.532 176.870 -0.064 0.000 1.130 329 L CA 1.386 56.182 54.840 -0.073 0.000 0.826 329 L CB -0.752 41.254 42.059 -0.088 0.000 0.941 329 L HN 0.489 nan 8.230 nan 0.000 0.451 330 G N -1.818 106.941 108.800 -0.067 0.000 2.141 330 G HA2 -0.249 3.678 3.960 -0.055 0.000 0.231 330 G HA3 -0.249 3.678 3.960 -0.055 0.000 0.231 330 G C 0.495 175.359 174.900 -0.060 0.000 0.984 330 G CA 0.302 45.370 45.100 -0.053 0.000 0.660 330 G HN 0.298 nan 8.290 nan 0.000 0.525 331 S N -0.112 115.530 115.700 -0.097 0.000 2.585 331 S HA 0.656 5.093 4.470 -0.055 0.000 0.273 331 S C 0.459 174.981 174.600 -0.131 0.000 1.339 331 S CA -0.025 58.107 58.200 -0.112 0.000 1.028 331 S CB 1.151 64.241 63.200 -0.182 0.000 0.906 331 S HN 0.442 nan 8.310 nan 0.000 0.528 332 L N 2.635 123.817 121.223 -0.068 0.000 2.346 332 L HA 0.603 4.910 4.340 -0.055 0.000 0.276 332 L C -1.178 175.771 176.870 0.132 0.000 1.006 332 L CA -0.631 54.209 54.840 -0.000 0.000 0.817 332 L CB 1.099 43.186 42.059 0.046 0.000 1.272 332 L HN 0.470 nan 8.230 nan 0.000 0.421 333 F N 0.664 120.654 119.950 0.067 0.000 2.522 333 F HA 0.547 5.041 4.527 -0.055 0.000 0.324 333 F C -0.077 175.773 175.800 0.083 0.000 1.077 333 F CA -1.251 56.792 58.000 0.071 0.000 0.944 333 F CB 2.185 41.233 39.000 0.080 0.000 1.175 333 F HN 0.340 nan 8.300 nan 0.000 0.468 334 Q N 0.643 120.589 119.800 0.244 0.000 2.312 334 Q HA 0.708 5.015 4.340 -0.055 0.000 0.263 334 Q C -0.120 175.958 176.000 0.130 0.000 0.995 334 Q CA -0.614 55.279 55.803 0.149 0.000 0.853 334 Q CB 2.204 30.992 28.738 0.083 0.000 1.300 334 Q HN 0.818 nan 8.270 nan 0.000 0.448 335 G N 1.137 110.032 108.800 0.159 0.000 2.574 335 G HA2 0.852 4.779 3.960 -0.055 0.000 0.299 335 G HA3 0.852 4.779 3.960 -0.055 0.000 0.299 335 G C -1.362 173.592 174.900 0.090 0.000 1.298 335 G CA -0.917 44.251 45.100 0.113 0.000 0.952 335 G HN 0.610 nan 8.290 nan 0.000 0.477 336 R N -0.665 119.852 120.500 0.028 0.000 2.680 336 R HA 0.628 4.935 4.340 -0.055 0.000 0.269 336 R C -1.835 174.442 176.300 -0.038 0.000 1.026 336 R CA -0.856 55.252 56.100 0.012 0.000 0.889 336 R CB 1.636 31.948 30.300 0.020 0.000 1.241 336 R HN 0.325 nan 8.270 nan 0.000 0.463 337 V N 3.824 123.702 119.914 -0.059 0.000 2.406 337 V HA 0.167 4.254 4.120 -0.055 0.000 0.272 337 V C 1.182 177.215 176.094 -0.102 0.000 1.043 337 V CA -0.440 61.778 62.300 -0.136 0.000 0.915 337 V CB 1.179 32.842 31.823 -0.266 0.000 0.988 337 V HN 0.703 nan 8.190 nan 0.000 0.466 338 L N 3.971 125.137 121.223 -0.095 0.000 2.416 338 L HA 0.438 4.745 4.340 -0.055 0.000 0.216 338 L C 1.063 177.897 176.870 -0.060 0.000 1.098 338 L CA 0.810 55.615 54.840 -0.058 0.000 0.840 338 L CB 0.047 42.082 42.059 -0.041 0.000 0.981 338 L HN 0.826 nan 8.230 nan 0.000 0.462 339 G N 0.080 108.818 108.800 -0.104 0.000 2.441 339 G HA2 0.441 4.368 3.960 -0.055 0.000 0.294 339 G HA3 0.441 4.368 3.960 -0.055 0.000 0.294 339 G C -1.867 172.947 174.900 -0.144 0.000 1.393 339 G CA -0.517 44.533 45.100 -0.083 0.000 0.796 339 G HN 0.108 nan 8.290 nan 0.000 0.494 340 E N -1.185 118.967 120.200 -0.079 0.000 2.433 340 E HA 0.805 5.121 4.350 -0.055 0.000 0.273 340 E C -0.896 175.702 176.600 -0.004 0.000 0.950 340 E CA -1.019 55.341 56.400 -0.067 0.000 0.796 340 E CB 2.992 32.706 29.700 0.024 0.000 1.330 340 E HN 0.540 nan 8.360 nan 0.000 0.455 341 E N 0.156 120.366 120.200 0.018 0.000 2.363 341 E HA 0.342 4.658 4.350 -0.055 0.000 0.281 341 E C -1.721 174.896 176.600 0.027 0.000 0.953 341 E CA -0.743 55.671 56.400 0.023 0.000 0.778 341 E CB 1.996 31.705 29.700 0.015 0.000 1.220 341 E HN 0.462 nan 8.360 nan 0.000 0.431 342 R N 3.986 124.498 120.500 0.020 0.000 2.387 342 R HA 0.533 4.840 4.340 -0.055 0.000 0.314 342 R C -0.987 175.309 176.300 -0.007 0.000 0.958 342 R CA -0.478 55.628 56.100 0.009 0.000 0.846 342 R CB 0.815 31.124 30.300 0.015 0.000 1.147 342 R HN 0.473 nan 8.270 nan 0.000 0.447 343 I N 7.042 127.597 120.570 -0.025 0.000 2.337 343 I HA 0.306 4.443 4.170 -0.055 0.000 0.285 343 I C -2.045 174.051 176.117 -0.035 0.000 1.041 343 I CA -2.474 58.807 61.300 -0.033 0.000 1.199 343 I CB 1.682 39.649 38.000 -0.055 0.000 1.370 343 I HN 0.411 nan 8.210 nan 0.000 0.470 344 P HA 0.056 nan 4.420 nan 0.000 0.262 344 P C 0.989 178.273 177.300 -0.027 0.000 1.182 344 P CA 0.646 63.733 63.100 -0.022 0.000 0.761 344 P CB 0.637 32.329 31.700 -0.014 0.000 0.795 345 G N 1.511 110.293 108.800 -0.029 0.000 2.179 345 G HA2 -0.207 3.720 3.960 -0.055 0.000 0.260 345 G HA3 -0.207 3.720 3.960 -0.055 0.000 0.260 345 G C -0.063 174.814 174.900 -0.040 0.000 0.977 345 G CA -0.034 45.048 45.100 -0.030 0.000 0.641 345 G HN 0.532 nan 8.290 nan 0.000 0.533 346 V N 2.418 122.300 119.914 -0.054 0.000 2.357 346 V HA 0.593 4.680 4.120 -0.055 0.000 0.284 346 V C 0.391 176.429 176.094 -0.092 0.000 1.018 346 V CA -0.295 61.960 62.300 -0.075 0.000 0.841 346 V CB 1.467 33.233 31.823 -0.095 0.000 0.991 346 V HN 0.556 nan 8.190 nan 0.000 0.437 347 K N 4.456 124.803 120.400 -0.089 0.000 2.267 347 K HA 0.909 5.196 4.320 -0.055 0.000 0.246 347 K C -0.811 175.714 176.600 -0.125 0.000 0.954 347 K CA -0.714 55.515 56.287 -0.098 0.000 0.824 347 K CB 2.640 35.095 32.500 -0.074 0.000 1.167 347 K HN 0.430 nan 8.250 nan 0.000 0.431 348 V N -2.587 117.231 119.914 -0.159 0.000 3.158 348 V HA 0.398 4.485 4.120 -0.055 0.000 0.315 348 V C -2.183 173.748 176.094 -0.271 0.000 1.148 348 V CA -2.328 59.821 62.300 -0.252 0.000 1.042 348 V CB 1.422 33.072 31.823 -0.289 0.000 1.101 348 V HN 0.543 nan 8.190 nan 0.000 0.448 349 P HA -0.129 nan 4.420 nan 0.000 0.216 349 P C 1.621 178.825 177.300 -0.160 0.000 1.150 349 P CA 1.454 64.398 63.100 -0.260 0.000 0.843 349 P CB 0.179 31.688 31.700 -0.318 0.000 0.787 350 V N -1.106 118.716 119.914 -0.154 0.000 2.970 350 V HA -0.065 4.022 4.120 -0.055 0.000 0.260 350 V C 0.384 176.452 176.094 -0.043 0.000 1.100 350 V CA 1.331 63.594 62.300 -0.060 0.000 1.122 350 V CB -1.208 30.612 31.823 -0.005 0.000 0.721 350 V HN 0.111 nan 8.190 nan 0.000 0.483 351 T N 3.426 117.943 114.554 -0.062 0.000 2.765 351 T HA 0.082 4.399 4.350 -0.055 0.000 0.284 351 T C 0.194 174.871 174.700 -0.038 0.000 0.946 351 T CA 0.233 62.305 62.100 -0.046 0.000 1.185 351 T CB 0.007 68.837 68.868 -0.063 0.000 0.887 351 T HN 0.396 nan 8.240 nan 0.000 0.532 352 K N 2.789 123.175 120.400 -0.024 0.000 2.138 352 K HA 0.102 4.389 4.320 -0.055 0.000 0.251 352 K C 0.767 177.355 176.600 -0.020 0.000 1.015 352 K CA -0.766 55.509 56.287 -0.020 0.000 0.917 352 K CB 0.607 33.099 32.500 -0.013 0.000 1.021 352 K HN 0.420 nan 8.250 nan 0.000 0.485 353 D N 1.208 121.597 120.400 -0.018 0.000 2.144 353 D HA -0.128 4.479 4.640 -0.055 0.000 0.199 353 D C 1.476 177.768 176.300 -0.014 0.000 0.984 353 D CA 1.273 55.263 54.000 -0.016 0.000 0.834 353 D CB -0.148 40.644 40.800 -0.014 0.000 0.955 353 D HN 0.641 nan 8.370 nan 0.000 0.465 354 A N 0.624 123.437 122.820 -0.011 0.000 2.248 354 A HA -0.081 4.206 4.320 -0.055 0.000 0.210 354 A C 0.742 178.321 177.584 -0.009 0.000 1.174 354 A CA 0.588 52.619 52.037 -0.009 0.000 0.750 354 A CB -0.129 18.866 19.000 -0.008 0.000 0.780 354 A HN 0.080 nan 8.150 nan 0.000 0.478 355 E N -0.641 119.552 120.200 -0.011 0.000 2.248 355 E HA 0.214 4.530 4.350 -0.055 0.000 0.272 355 E C -0.168 176.425 176.600 -0.012 0.000 1.008 355 E CA -0.370 56.024 56.400 -0.010 0.000 0.856 355 E CB 1.145 30.838 29.700 -0.011 0.000 1.120 355 E HN 0.282 nan 8.360 nan 0.000 0.397 356 E N 0.561 120.755 120.200 -0.010 0.000 2.489 356 E HA 0.121 4.438 4.350 -0.055 0.000 0.193 356 E C 0.085 176.674 176.600 -0.017 0.000 1.057 356 E CA 0.212 56.605 56.400 -0.011 0.000 0.866 356 E CB 0.233 29.929 29.700 -0.007 0.000 0.916 356 E HN 0.682 nan 8.360 nan 0.000 0.500 357 G N -0.312 108.476 108.800 -0.021 0.000 2.327 357 G HA2 0.146 4.073 3.960 -0.055 0.000 0.291 357 G HA3 0.146 4.073 3.960 -0.055 0.000 0.291 357 G C -0.972 173.905 174.900 -0.038 0.000 1.290 357 G CA -0.485 44.595 45.100 -0.034 0.000 0.857 357 G HN 0.184 nan 8.290 nan 0.000 0.520 358 M N -0.177 119.385 119.600 -0.062 0.000 2.274 358 M HA 0.814 5.261 4.480 -0.055 0.000 0.344 358 M C -0.374 175.906 176.300 -0.032 0.000 1.161 358 M CA -0.642 54.617 55.300 -0.070 0.000 1.126 358 M CB 1.550 34.056 32.600 -0.156 0.000 1.522 358 M HN 0.500 nan 8.290 nan 0.000 0.461 359 L N 4.874 126.107 121.223 0.017 0.000 2.319 359 L HA 0.539 4.845 4.340 -0.055 0.000 0.280 359 L C -0.590 176.341 176.870 0.101 0.000 1.099 359 L CA -0.201 54.680 54.840 0.069 0.000 0.828 359 L CB 1.138 43.269 42.059 0.119 0.000 1.150 359 L HN 0.692 nan 8.230 nan 0.000 0.442 360 V N 4.567 124.535 119.914 0.089 0.000 2.815 360 V HA 0.900 4.986 4.120 -0.055 0.000 0.314 360 V C -0.474 175.655 176.094 0.057 0.000 1.064 360 V CA -0.488 61.902 62.300 0.150 0.000 0.952 360 V CB 1.770 33.692 31.823 0.166 0.000 1.020 360 V HN 0.747 nan 8.190 nan 0.000 0.439 361 V N 0.282 120.206 119.914 0.017 0.000 2.815 361 V HA 0.777 4.863 4.120 -0.055 0.000 0.314 361 V C -0.044 176.008 176.094 -0.071 0.000 1.064 361 V CA -0.289 61.935 62.300 -0.126 0.000 0.952 361 V CB 1.749 33.378 31.823 -0.323 0.000 1.020 361 V HN 0.995 nan 8.190 nan 0.000 0.439 362 T N 3.427 117.923 114.554 -0.096 0.000 2.749 362 T HA 0.756 5.073 4.350 -0.055 0.000 0.287 362 T C 0.038 174.681 174.700 -0.095 0.000 0.970 362 T CA 0.240 62.303 62.100 -0.062 0.000 0.980 362 T CB 0.951 69.797 68.868 -0.037 0.000 0.924 362 T HN 1.343 nan 8.240 nan 0.000 0.456 363 A N 3.369 126.136 122.820 -0.087 0.000 2.317 363 A HA 0.673 4.960 4.320 -0.055 0.000 0.327 363 A C -0.128 177.413 177.584 -0.072 0.000 1.178 363 A CA -0.769 51.210 52.037 -0.096 0.000 0.817 363 A CB 0.883 19.813 19.000 -0.117 0.000 1.189 363 A HN 0.792 nan 8.150 nan 0.000 0.489 364 E N 1.433 121.599 120.200 -0.058 0.000 2.191 364 E HA 0.596 4.913 4.350 -0.055 0.000 0.274 364 E C -1.510 175.060 176.600 -0.051 0.000 0.948 364 E CA -0.475 55.897 56.400 -0.047 0.000 0.802 364 E CB 0.950 30.636 29.700 -0.024 0.000 1.137 364 E HN 0.506 nan 8.360 nan 0.000 0.397 365 I N 2.091 122.612 120.570 -0.081 0.000 2.608 365 I HA 0.299 4.435 4.170 -0.055 0.000 0.295 365 I C -0.519 175.509 176.117 -0.148 0.000 1.049 365 I CA -0.350 60.880 61.300 -0.116 0.000 1.063 365 I CB 2.496 40.380 38.000 -0.194 0.000 1.248 365 I HN 0.382 nan 8.210 nan 0.000 0.424 366 T N 3.111 117.585 114.554 -0.133 0.000 2.861 366 T HA 0.864 5.181 4.350 -0.055 0.000 0.287 366 T C -0.180 174.430 174.700 -0.150 0.000 1.003 366 T CA -0.784 61.254 62.100 -0.105 0.000 0.977 366 T CB 1.834 70.705 68.868 0.006 0.000 0.996 366 T HN 0.923 nan 8.240 nan 0.000 0.448 367 G N 1.302 110.011 108.800 -0.151 0.000 2.606 367 G HA2 0.656 4.583 3.960 -0.055 0.000 0.300 367 G HA3 0.656 4.583 3.960 -0.055 0.000 0.300 367 G C -1.959 172.955 174.900 0.024 0.000 1.360 367 G CA -0.782 44.327 45.100 0.014 0.000 0.783 367 G HN 0.652 nan 8.290 nan 0.000 0.484 368 K N -0.418 120.044 120.400 0.104 0.000 2.345 368 K HA 0.735 5.022 4.320 -0.055 0.000 0.255 368 K C -0.487 176.055 176.600 -0.097 0.000 0.934 368 K CA -0.530 55.723 56.287 -0.057 0.000 0.801 368 K CB 1.868 34.335 32.500 -0.055 0.000 1.137 368 K HN 0.817 nan 8.250 nan 0.000 0.424 369 A N 3.631 126.268 122.820 -0.305 0.000 2.355 369 A HA 0.785 5.071 4.320 -0.055 0.000 0.324 369 A C -1.436 175.762 177.584 -0.643 0.000 1.117 369 A CA -0.644 51.221 52.037 -0.287 0.000 0.785 369 A CB 0.498 19.419 19.000 -0.131 0.000 1.254 369 A HN 0.609 nan 8.150 nan 0.000 0.453 370 F N 0.460 120.216 119.950 -0.325 0.000 2.561 370 F HA 0.523 5.016 4.527 -0.056 0.000 0.321 370 F C 0.223 175.885 175.800 -0.231 0.000 1.065 370 F CA -0.610 57.225 58.000 -0.276 0.000 0.934 370 F CB 1.800 40.600 39.000 -0.334 0.000 1.215 370 F HN 0.348 nan 8.300 nan 0.000 0.471 371 I N 3.901 124.478 120.570 0.012 0.000 2.396 371 I HA 0.122 4.259 4.170 -0.055 0.000 0.289 371 I C 0.913 176.998 176.117 -0.054 0.000 1.056 371 I CA 0.042 61.285 61.300 -0.094 0.000 1.365 371 I CB 1.169 39.047 38.000 -0.203 0.000 1.407 371 I HN 0.803 nan 8.210 nan 0.000 0.509 372 M N 4.162 123.733 119.600 -0.048 0.000 2.367 372 M HA 0.497 4.944 4.480 -0.055 0.000 0.256 372 M C 0.458 176.715 176.300 -0.072 0.000 1.091 372 M CA 0.024 55.324 55.300 0.001 0.000 1.049 372 M CB 0.892 33.568 32.600 0.126 0.000 1.406 372 M HN 0.513 nan 8.290 nan 0.000 0.498 373 G N 0.582 109.266 108.800 -0.193 0.000 2.387 373 G HA2 0.496 4.423 3.960 -0.055 0.000 0.294 373 G HA3 0.496 4.423 3.960 -0.055 0.000 0.294 373 G C -2.191 172.514 174.900 -0.324 0.000 1.509 373 G CA -0.786 44.195 45.100 -0.198 0.000 0.806 373 G HN 0.112 nan 8.290 nan 0.000 0.546 374 F N 1.398 121.382 119.950 0.056 0.000 2.382 374 F HA 0.528 5.022 4.527 -0.055 0.000 0.361 374 F C 0.208 176.044 175.800 0.060 0.000 1.109 374 F CA -1.117 56.917 58.000 0.057 0.000 1.031 374 F CB 2.081 41.113 39.000 0.054 0.000 1.234 374 F HN 0.330 nan 8.300 nan 0.000 0.445 375 N N 1.337 120.165 118.700 0.214 0.000 2.362 375 N HA 0.413 5.120 4.740 -0.055 0.000 0.298 375 N C -1.065 174.539 175.510 0.156 0.000 1.048 375 N CA -0.288 52.848 53.050 0.143 0.000 0.858 375 N CB 1.569 40.108 38.487 0.087 0.000 1.218 375 N HN 0.352 nan 8.380 nan 0.000 0.488 376 T N 3.881 118.515 114.554 0.132 0.000 2.770 376 T HA 0.378 4.695 4.350 -0.055 0.000 0.297 376 T C 0.148 174.877 174.700 0.047 0.000 0.997 376 T CA -0.425 61.756 62.100 0.135 0.000 0.949 376 T CB 0.158 69.138 68.868 0.187 0.000 0.941 376 T HN 0.352 nan 8.240 nan 0.000 0.457 377 M N 4.594 124.255 119.600 0.101 0.000 2.144 377 M HA 0.449 4.895 4.480 -0.055 0.000 0.356 377 M C -0.672 175.559 176.300 -0.114 0.000 1.217 377 M CA -0.425 54.866 55.300 -0.016 0.000 1.087 377 M CB 0.754 33.440 32.600 0.143 0.000 1.609 377 M HN 0.300 nan 8.290 nan 0.000 0.467 378 L N 3.091 124.048 121.223 -0.444 0.000 2.333 378 L HA 0.647 4.954 4.340 -0.055 0.000 0.269 378 L C -1.207 175.212 176.870 -0.752 0.000 1.010 378 L CA -0.517 54.081 54.840 -0.404 0.000 0.818 378 L CB 1.670 43.517 42.059 -0.354 0.000 1.306 378 L HN 0.571 nan 8.230 nan 0.000 0.430 379 F N 0.303 120.257 119.950 0.008 0.000 2.810 379 F HA 0.201 4.694 4.527 -0.056 0.000 0.373 379 F C -0.060 175.756 175.800 0.026 0.000 1.174 379 F CA -0.945 57.087 58.000 0.053 0.000 1.141 379 F CB 0.922 39.988 39.000 0.110 0.000 1.420 379 F HN 0.333 nan 8.300 nan 0.000 0.518 380 D N 4.226 124.676 120.400 0.083 0.000 2.434 380 D HA 0.078 4.684 4.640 -0.055 0.000 0.252 380 D C -1.614 174.742 176.300 0.093 0.000 1.185 380 D CA -1.726 52.312 54.000 0.064 0.000 0.886 380 D CB 1.592 42.405 40.800 0.022 0.000 1.148 380 D HN 0.170 nan 8.370 nan 0.000 0.483 381 P HA -0.112 nan 4.420 nan 0.000 0.218 381 P C 1.046 178.366 177.300 0.033 0.000 1.148 381 P CA 1.419 64.556 63.100 0.063 0.000 0.822 381 P CB 0.003 31.731 31.700 0.046 0.000 0.784 382 T N -4.844 109.722 114.554 0.019 0.000 3.160 382 T HA -0.028 4.289 4.350 -0.055 0.000 0.257 382 T C 0.607 175.291 174.700 -0.027 0.000 1.147 382 T CA -0.046 62.050 62.100 -0.007 0.000 1.064 382 T CB -0.809 68.055 68.868 -0.008 0.000 0.949 382 T HN -0.062 nan 8.240 nan 0.000 0.526 383 D N 3.035 123.432 120.400 -0.004 0.000 2.325 383 D HA 0.179 4.786 4.640 -0.055 0.000 0.251 383 D C -1.251 174.993 176.300 -0.092 0.000 1.196 383 D CA -2.538 51.448 54.000 -0.024 0.000 0.866 383 D CB 1.769 42.601 40.800 0.053 0.000 1.101 383 D HN 0.071 nan 8.370 nan 0.000 0.476 384 P HA -0.061 nan 4.420 nan 0.000 0.226 384 P C 0.317 177.353 177.300 -0.440 0.000 1.153 384 P CA 0.617 63.445 63.100 -0.454 0.000 0.777 384 P CB 0.021 31.262 31.700 -0.764 0.000 0.794 385 F N 0.441 120.479 119.950 0.146 0.000 2.772 385 F HA 0.259 4.753 4.527 -0.055 0.000 0.302 385 F C 1.890 177.811 175.800 0.202 0.000 1.136 385 F CA -0.977 57.150 58.000 0.212 0.000 1.322 385 F CB -0.476 38.714 39.000 0.317 0.000 0.967 385 F HN -0.099 nan 8.300 nan 0.000 0.513 386 K N -0.108 120.465 120.400 0.288 0.000 2.360 386 K HA -0.157 4.130 4.320 -0.055 0.000 0.201 386 K C 0.226 177.080 176.600 0.424 0.000 1.046 386 K CA 1.757 58.274 56.287 0.382 0.000 0.940 386 K CB -0.442 32.272 32.500 0.357 0.000 0.748 386 K HN 0.372 nan 8.250 nan 0.000 0.465 387 N N 0.612 119.513 118.700 0.335 0.000 2.234 387 N HA 0.141 4.848 4.740 -0.055 0.000 0.227 387 N C -0.369 175.294 175.510 0.255 0.000 1.151 387 N CA -0.022 53.207 53.050 0.298 0.000 0.865 387 N CB 1.202 39.849 38.487 0.266 0.000 1.066 387 N HN 0.422 nan 8.380 nan 0.000 0.515 388 G N 1.588 110.552 108.800 0.273 0.000 2.846 388 G HA2 -0.201 3.726 3.960 -0.055 0.000 0.660 388 G HA3 -0.201 3.726 3.960 -0.055 0.000 0.660 388 G C -0.690 174.337 174.900 0.212 0.000 1.464 388 G CA -0.300 44.883 45.100 0.139 0.000 0.891 388 G HN 0.297 nan 8.290 nan 0.000 0.552 389 F N -2.275 117.688 119.950 0.021 0.000 2.686 389 F HA 0.876 5.369 4.527 -0.057 0.000 0.311 389 F C -0.420 175.348 175.800 -0.053 0.000 1.128 389 F CA -0.662 57.327 58.000 -0.019 0.000 0.946 389 F CB 1.627 40.562 39.000 -0.109 0.000 1.336 389 F HN 0.939 nan 8.300 nan 0.000 0.457 390 T N 2.034 116.709 114.554 0.202 0.000 2.886 390 T HA 0.487 4.804 4.350 -0.055 0.000 0.292 390 T C 0.030 174.861 174.700 0.219 0.000 1.012 390 T CA -0.685 61.495 62.100 0.134 0.000 0.982 390 T CB 1.157 70.034 68.868 0.015 0.000 1.018 390 T HN 0.805 nan 8.240 nan 0.000 0.451 391 L N 3.061 124.406 121.223 0.203 0.000 2.645 391 L HA 0.304 4.611 4.340 -0.055 0.000 0.235 391 L C 1.330 178.239 176.870 0.065 0.000 1.150 391 L CA 0.078 54.985 54.840 0.111 0.000 0.911 391 L CB -0.334 41.780 42.059 0.092 0.000 1.077 391 L HN 0.469 nan 8.230 nan 0.000 0.438 392 K N 2.148 122.576 120.400 0.048 0.000 2.368 392 K HA 0.052 4.339 4.320 -0.055 0.000 0.282 392 K C 0.162 176.781 176.600 0.032 0.000 1.035 392 K CA -0.550 55.749 56.287 0.021 0.000 0.973 392 K CB 0.667 33.156 32.500 -0.017 0.000 0.957 392 K HN 0.043 nan 8.250 nan 0.000 0.474 393 Q N 5.253 125.085 119.800 0.053 0.000 2.286 393 Q HA 0.013 4.319 4.340 -0.055 0.000 0.265 393 Q C -0.245 175.854 176.000 0.165 0.000 1.080 393 Q CA -0.269 55.605 55.803 0.118 0.000 0.906 393 Q CB -0.492 28.328 28.738 0.137 0.000 1.227 393 Q HN 0.689 nan 8.270 nan 0.000 0.409 394 Y N 0.000 120.309 120.300 0.015 0.000 2.660 394 Y HA 0.000 4.554 4.550 0.006 0.000 0.201 394 Y CA 0.000 58.109 58.100 0.015 0.000 1.940 394 Y CB 0.000 38.469 38.460 0.015 0.000 1.050 394 Y HN 0.000 nan 8.280 nan 0.000 0.758