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 1ysc_1_A DATA FIRST_RESID 1 DATA SEQUENCE KIKDPKILGI DPNVTQYTGY LDVEDEDKHF FFWTFESRND PAKDPVILWL DATA SEQUENCE NGGPGcSSLT GLFFELGPSS IGPDLKPIGN PYSWNSNATV IFLDQPVNVG DATA SEQUENCE FSYSGSSGVS NTVAAGKDVY NFLELFFDQF PEYVNKGQDF HIAGESYAGH DATA SEQUENCE YIPVFASEIL SHKDRNFNLT SVLIGNGLTD PLTQYNYYEP MAcGEGGEPS DATA SEQUENCE VLPSEEcSAM EDSLERcLGL IEScYDSQSV WScVPATIYc NNAQLAPYQR DATA SEQUENCE TGRNVYDIRK DcEGGNLcYP TLQDIDDYLN QDYVKEAVGA EVDHYEScNF DATA SEQUENCE DINRNFLFAG DWMKPYHTAV TDLLNQDLPI LVYAGDKDFI CNWLGNKAWT DATA SEQUENCE DVLPWKYDEE FASQKVRNWT ASITDEVAGE VKSYKHFTYL RVFNGGHMVP DATA SEQUENCE FDVPENALSM VNEWIHGGFS L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.747 176.600 0.246 0.000 0.988 1 K CA 0.000 56.407 56.287 0.200 0.000 0.838 1 K CB 0.000 32.591 32.500 0.152 0.000 1.064 2 I N -0.200 120.484 120.570 0.189 0.000 2.608 2 I HA 1.022 5.191 4.170 -0.002 0.000 0.295 2 I C 0.170 176.323 176.117 0.061 0.000 1.049 2 I CA -0.551 60.838 61.300 0.148 0.000 1.063 2 I CB 0.780 38.923 38.000 0.239 0.000 1.248 2 I HN 1.479 nan 8.210 nan 0.000 0.424 3 K N 2.155 122.540 120.400 -0.024 0.000 2.280 3 K HA 0.928 5.247 4.320 -0.002 0.000 0.234 3 K C -0.193 176.328 176.600 -0.130 0.000 1.028 3 K CA 0.051 56.306 56.287 -0.054 0.000 0.882 3 K CB 0.609 33.081 32.500 -0.046 0.000 1.194 3 K HN 2.171 nan 8.250 nan 0.000 0.458 4 D N 0.790 121.122 120.400 -0.113 0.000 2.198 4 D HA 0.557 5.195 4.640 -0.002 0.000 0.247 4 D C -2.099 174.075 176.300 -0.211 0.000 1.010 4 D CA -1.486 52.418 54.000 -0.161 0.000 0.880 4 D CB 1.457 42.220 40.800 -0.060 0.000 1.209 4 D HN 0.324 nan 8.370 nan 0.000 0.451 5 P HA 0.063 nan 4.420 nan 0.000 0.242 5 P C 1.629 178.907 177.300 -0.036 0.000 1.197 5 P CA 1.095 64.029 63.100 -0.276 0.000 0.765 5 P CB -0.207 31.110 31.700 -0.639 0.000 0.936 6 K N 0.230 120.607 120.400 -0.038 0.000 2.218 6 K HA -0.160 4.158 4.320 -0.002 0.000 0.205 6 K C 2.071 178.694 176.600 0.038 0.000 1.046 6 K CA 2.082 58.379 56.287 0.017 0.000 0.933 6 K CB -1.951 30.555 32.500 0.011 0.000 0.728 6 K HN 0.280 nan 8.250 nan 0.000 0.454 7 I N 0.197 120.783 120.570 0.026 0.000 2.277 7 I HA 0.317 4.486 4.170 -0.002 0.000 0.243 7 I C 1.746 177.921 176.117 0.095 0.000 1.094 7 I CA 0.604 61.933 61.300 0.048 0.000 1.393 7 I CB -0.592 37.425 38.000 0.029 0.000 1.078 7 I HN 0.441 nan 8.210 nan 0.000 0.417 8 L N 0.035 121.330 121.223 0.120 0.000 2.475 8 L HA 0.422 4.760 4.340 -0.002 0.000 0.250 8 L C 2.069 179.076 176.870 0.227 0.000 1.224 8 L CA 0.434 55.395 54.840 0.200 0.000 0.821 8 L CB 0.581 42.810 42.059 0.283 0.000 1.141 8 L HN 0.400 nan 8.230 nan 0.000 0.494 9 G N 0.472 109.436 108.800 0.274 0.000 2.556 9 G HA2 -0.092 3.867 3.960 -0.002 0.000 0.215 9 G HA3 -0.092 3.867 3.960 -0.002 0.000 0.215 9 G C 0.991 176.019 174.900 0.214 0.000 1.258 9 G CA 0.845 46.084 45.100 0.231 0.000 0.811 9 G HN 0.583 nan 8.290 nan 0.000 0.557 10 I N 0.818 121.526 120.570 0.230 0.000 4.908 10 I HA -0.313 3.856 4.170 -0.002 0.000 0.038 10 I C 0.565 176.759 176.117 0.127 0.000 0.635 10 I CA 1.966 63.370 61.300 0.173 0.000 0.222 10 I CB -0.774 37.325 38.000 0.165 0.000 0.327 10 I HN 0.228 nan 8.210 nan 0.000 0.154 11 D N 2.160 122.651 120.400 0.153 0.000 2.411 11 D HA 0.307 4.946 4.640 -0.002 0.000 0.225 11 D C -1.549 174.832 176.300 0.136 0.000 1.156 11 D CA -1.735 52.337 54.000 0.119 0.000 0.874 11 D CB 0.706 41.571 40.800 0.109 0.000 1.034 11 D HN 0.142 nan 8.370 nan 0.000 0.502 12 P HA -0.058 nan 4.420 nan 0.000 0.214 12 P C 1.300 178.650 177.300 0.084 0.000 1.206 12 P CA 1.036 64.190 63.100 0.090 0.000 0.715 12 P CB -0.604 31.138 31.700 0.070 0.000 0.633 13 N N -0.033 118.706 118.700 0.066 0.000 1.300 13 N HA -0.405 4.333 4.740 -0.002 0.000 0.110 13 N C 2.091 177.643 175.510 0.070 0.000 0.359 13 N CA 4.583 57.669 53.050 0.060 0.000 0.807 13 N CB -1.938 36.576 38.487 0.046 0.000 0.661 13 N HN 0.465 nan 8.380 nan 0.000 1.393 14 V N -1.865 118.096 119.914 0.079 0.000 2.230 14 V HA 0.209 4.328 4.120 -0.002 0.000 0.256 14 V C 2.219 178.378 176.094 0.108 0.000 1.064 14 V CA 4.881 67.238 62.300 0.093 0.000 1.050 14 V CB -1.606 30.280 31.823 0.104 0.000 0.666 14 V HN 2.709 nan 8.190 nan 0.000 0.457 15 T N -2.467 112.160 114.554 0.121 0.000 3.458 15 T HA 0.624 4.973 4.350 -0.002 0.000 0.339 15 T C -0.380 174.409 174.700 0.147 0.000 0.664 15 T CA 1.214 63.388 62.100 0.124 0.000 1.733 15 T CB -1.946 66.993 68.868 0.119 0.000 1.584 15 T HN 2.357 nan 8.240 nan 0.000 0.648 16 Q N -0.053 119.825 119.800 0.129 0.000 2.205 16 Q HA 1.029 5.368 4.340 -0.002 0.000 0.249 16 Q C -0.038 175.952 176.000 -0.016 0.000 0.948 16 Q CA -0.025 55.845 55.803 0.111 0.000 0.895 16 Q CB 0.919 29.790 28.738 0.223 0.000 1.249 16 Q HN 2.393 nan 8.270 nan 0.000 0.458 17 Y N -0.184 120.070 120.300 -0.077 0.000 2.479 17 Y HA 0.832 5.381 4.550 -0.002 0.000 0.338 17 Y C 0.281 175.975 175.900 -0.343 0.000 1.055 17 Y CA -0.420 57.617 58.100 -0.104 0.000 1.023 17 Y CB 1.574 40.144 38.460 0.182 0.000 1.287 17 Y HN 1.466 nan 8.280 nan 0.000 0.447 18 T N -0.291 113.930 114.554 -0.555 0.000 2.669 18 T HA 0.972 5.321 4.350 -0.002 0.000 0.283 18 T C 0.363 174.451 174.700 -1.019 0.000 1.019 18 T CA -0.197 61.291 62.100 -1.020 0.000 1.039 18 T CB 1.452 69.534 68.868 -1.311 0.000 1.374 18 T HN 2.895 nan 8.240 nan 0.000 0.523 19 G N -0.283 107.693 108.800 -1.375 0.000 2.255 19 G HA2 0.229 4.187 3.960 -0.002 0.000 0.216 19 G HA3 0.229 4.187 3.960 -0.002 0.000 0.216 19 G C -2.031 172.378 174.900 -0.819 0.000 1.307 19 G CA -0.585 44.054 45.100 -0.768 0.000 1.162 19 G HN 0.959 nan 8.290 nan 0.000 0.494 20 Y N -1.064 119.439 120.300 0.338 0.000 2.499 20 Y HA 0.784 5.332 4.550 -0.002 0.000 0.347 20 Y C -0.156 176.120 175.900 0.626 0.000 0.987 20 Y CA -0.841 57.620 58.100 0.601 0.000 1.044 20 Y CB 2.233 40.954 38.460 0.435 0.000 1.245 20 Y HN 0.511 nan 8.280 nan 0.000 0.461 21 L N 3.287 124.948 121.223 0.729 0.000 2.349 21 L HA 0.470 4.808 4.340 -0.002 0.000 0.278 21 L C -1.059 176.097 176.870 0.476 0.000 0.996 21 L CA -0.495 54.619 54.840 0.457 0.000 0.825 21 L CB 1.256 43.488 42.059 0.289 0.000 1.243 21 L HN 0.612 nan 8.230 nan 0.000 0.412 22 D N 1.519 122.102 120.400 0.304 0.000 2.326 22 D HA 0.548 5.187 4.640 -0.002 0.000 0.248 22 D C -0.861 175.517 176.300 0.129 0.000 1.001 22 D CA -0.226 53.886 54.000 0.187 0.000 0.961 22 D CB 2.545 43.419 40.800 0.125 0.000 1.183 22 D HN 0.140 nan 8.370 nan 0.000 0.502 23 V N 1.211 121.149 119.914 0.039 0.000 2.340 23 V HA 0.412 4.531 4.120 -0.002 0.000 0.277 23 V C 1.075 177.160 176.094 -0.015 0.000 1.017 23 V CA 0.311 62.644 62.300 0.055 0.000 0.820 23 V CB 0.199 32.110 31.823 0.147 0.000 1.028 23 V HN 0.728 nan 8.190 nan 0.000 0.436 24 E N 4.075 124.283 120.200 0.013 0.000 2.059 24 E HA -0.401 3.948 4.350 -0.002 0.000 0.237 24 E C 1.396 178.010 176.600 0.022 0.000 1.023 24 E CA 2.729 59.142 56.400 0.021 0.000 0.918 24 E CB -1.339 28.383 29.700 0.037 0.000 0.824 24 E HN 1.140 nan 8.360 nan 0.000 0.534 25 D N -0.252 120.168 120.400 0.034 0.000 2.172 25 D HA 0.001 4.639 4.640 -0.002 0.000 0.196 25 D C 1.795 178.118 176.300 0.037 0.000 0.999 25 D CA 3.147 57.170 54.000 0.038 0.000 0.856 25 D CB -0.273 40.552 40.800 0.041 0.000 0.934 25 D HN 0.672 nan 8.370 nan 0.000 0.453 26 E N 0.015 120.236 120.200 0.036 0.000 2.447 26 E HA 0.089 4.438 4.350 -0.002 0.000 0.195 26 E C 1.043 177.652 176.600 0.015 0.000 1.028 26 E CA 0.735 57.158 56.400 0.039 0.000 0.876 26 E CB -0.497 29.241 29.700 0.063 0.000 0.885 26 E HN 0.381 nan 8.360 nan 0.000 0.500 27 D N -0.279 120.102 120.400 -0.031 0.000 2.775 27 D HA -0.144 4.495 4.640 -0.002 0.000 0.235 27 D C -0.793 175.367 176.300 -0.234 0.000 1.120 27 D CA 1.108 55.062 54.000 -0.075 0.000 0.708 27 D CB -1.831 39.020 40.800 0.085 0.000 1.084 27 D HN 0.607 nan 8.370 nan 0.000 0.434 28 K N 0.942 121.114 120.400 -0.379 0.000 2.244 28 K HA 0.446 4.765 4.320 -0.002 0.000 0.260 28 K C -0.251 175.877 176.600 -0.787 0.000 0.951 28 K CA -0.699 55.321 56.287 -0.445 0.000 0.826 28 K CB 1.373 33.779 32.500 -0.157 0.000 1.108 28 K HN 0.238 nan 8.250 nan 0.000 0.433 29 H N 3.781 122.450 119.070 -0.669 0.000 2.683 29 H HA 0.189 4.744 4.556 -0.002 0.000 0.270 29 H C -0.591 174.561 175.328 -0.295 0.000 1.201 29 H CA -0.716 55.033 56.048 -0.499 0.000 1.277 29 H CB 0.023 29.165 29.762 -1.034 0.000 1.400 29 H HN 0.359 nan 8.280 nan 0.000 0.504 30 F N 2.443 122.580 119.950 0.313 0.000 2.518 30 F HA 0.088 4.614 4.527 -0.002 0.000 0.359 30 F C 0.400 176.512 175.800 0.521 0.000 1.118 30 F CA -0.199 57.983 58.000 0.304 0.000 1.287 30 F CB 0.343 39.415 39.000 0.120 0.000 1.132 30 F HN 0.391 nan 8.300 nan 0.000 0.587 31 F N 5.487 125.637 119.950 0.333 0.000 2.520 31 F HA 0.676 5.202 4.527 -0.002 0.000 0.322 31 F C -1.314 174.639 175.800 0.255 0.000 1.103 31 F CA -1.391 56.637 58.000 0.047 0.000 0.926 31 F CB 0.987 39.941 39.000 -0.077 0.000 1.154 31 F HN 0.307 nan 8.300 nan 0.000 0.453 32 F N 2.916 122.260 119.950 -1.010 0.000 2.650 32 F HA 0.701 5.226 4.527 -0.002 0.000 0.320 32 F C -2.093 173.325 175.800 -0.638 0.000 1.091 32 F CA -2.455 55.253 58.000 -0.487 0.000 0.962 32 F CB 1.227 40.204 39.000 -0.039 0.000 1.363 32 F HN 0.613 nan 8.300 nan 0.000 0.482 33 W N 1.800 122.922 121.300 -0.296 0.000 2.680 33 W HA 0.542 5.200 4.660 -0.002 0.000 0.305 33 W C -1.512 175.069 176.519 0.102 0.000 1.033 33 W CA -0.421 56.801 57.345 -0.205 0.000 1.242 33 W CB 1.813 31.254 29.460 -0.031 0.000 1.138 33 W HN 0.794 nan 8.180 nan 0.000 0.358 34 T N 2.410 117.211 114.554 0.412 0.000 2.927 34 T HA 0.785 5.133 4.350 -0.002 0.000 0.281 34 T C -0.267 174.683 174.700 0.418 0.000 0.998 34 T CA -0.013 62.320 62.100 0.388 0.000 1.019 34 T CB 1.258 70.263 68.868 0.229 0.000 1.061 34 T HN 0.231 nan 8.240 nan 0.000 0.518 35 F N -0.107 120.032 119.950 0.314 0.000 2.581 35 F HA 0.685 5.211 4.527 -0.002 0.000 0.311 35 F C -0.318 175.577 175.800 0.158 0.000 1.113 35 F CA -1.406 56.758 58.000 0.274 0.000 0.935 35 F CB 0.753 39.940 39.000 0.312 0.000 1.232 35 F HN 0.778 nan 8.300 nan 0.000 0.445 36 E N 1.676 121.974 120.200 0.163 0.000 2.277 36 E HA 0.381 4.729 4.350 -0.002 0.000 0.274 36 E C 0.058 176.734 176.600 0.128 0.000 1.022 36 E CA -0.372 56.118 56.400 0.150 0.000 0.853 36 E CB 1.792 31.611 29.700 0.198 0.000 1.086 36 E HN 0.772 nan 8.360 nan 0.000 0.397 37 S N 1.607 117.377 115.700 0.118 0.000 2.573 37 S HA -0.082 4.387 4.470 -0.002 0.000 0.297 37 S C 1.230 175.885 174.600 0.092 0.000 1.280 37 S CA -0.123 58.139 58.200 0.103 0.000 1.061 37 S CB 0.328 63.591 63.200 0.106 0.000 0.812 37 S HN 0.407 nan 8.310 nan 0.000 0.500 38 R N 3.207 123.753 120.500 0.076 0.000 2.285 38 R HA -0.052 4.287 4.340 -0.002 0.000 0.213 38 R C 0.996 177.323 176.300 0.046 0.000 1.068 38 R CA 0.857 56.992 56.100 0.058 0.000 1.004 38 R CB -0.661 29.666 30.300 0.045 0.000 0.873 38 R HN 0.571 nan 8.270 nan 0.000 0.467 39 N N 0.478 119.208 118.700 0.051 0.000 2.019 39 N HA -0.032 4.707 4.740 -0.002 0.000 0.197 39 N C -0.910 174.633 175.510 0.055 0.000 1.232 39 N CA -0.054 53.019 53.050 0.039 0.000 1.059 39 N CB 0.378 38.878 38.487 0.022 0.000 1.352 39 N HN -0.144 nan 8.380 nan 0.000 0.428 40 D N -0.447 119.993 120.400 0.065 0.000 2.425 40 D HA 0.396 5.034 4.640 -0.002 0.000 0.240 40 D C -2.109 174.257 176.300 0.110 0.000 1.080 40 D CA -2.191 51.856 54.000 0.078 0.000 0.836 40 D CB 1.901 42.739 40.800 0.063 0.000 1.125 40 D HN 0.117 nan 8.370 nan 0.000 0.525 41 P HA -0.041 nan 4.420 nan 0.000 0.219 41 P C 1.000 178.416 177.300 0.194 0.000 1.150 41 P CA 0.764 63.972 63.100 0.181 0.000 0.814 41 P CB 0.215 32.055 31.700 0.233 0.000 0.787 42 A N 0.034 122.941 122.820 0.146 0.000 1.933 42 A HA -0.162 4.157 4.320 -0.002 0.000 0.218 42 A C 2.346 180.000 177.584 0.116 0.000 1.175 42 A CA 2.722 54.831 52.037 0.120 0.000 0.628 42 A CB -1.367 17.680 19.000 0.078 0.000 0.814 42 A HN 0.270 nan 8.150 nan 0.000 0.444 43 K N -0.006 120.461 120.400 0.113 0.000 2.056 43 K HA 0.096 4.414 4.320 -0.002 0.000 0.205 43 K C 0.526 177.211 176.600 0.142 0.000 1.035 43 K CA 0.744 57.099 56.287 0.113 0.000 0.955 43 K CB -1.037 31.521 32.500 0.097 0.000 0.769 43 K HN 0.428 nan 8.250 nan 0.000 0.447 44 D N 1.975 122.471 120.400 0.159 0.000 2.836 44 D HA 0.010 4.649 4.640 -0.002 0.000 0.220 44 D C -2.055 174.331 176.300 0.142 0.000 1.094 44 D CA -0.728 53.377 54.000 0.174 0.000 0.820 44 D CB 0.488 41.391 40.800 0.172 0.000 1.171 44 D HN 0.219 nan 8.370 nan 0.000 0.507 45 P HA 0.011 nan 4.420 nan 0.000 0.278 45 P C -0.192 177.205 177.300 0.162 0.000 1.270 45 P CA -0.331 62.856 63.100 0.146 0.000 0.800 45 P CB 0.528 32.294 31.700 0.109 0.000 1.142 46 V N 0.136 120.220 119.914 0.283 0.000 2.680 46 V HA 0.482 4.600 4.120 -0.002 0.000 0.309 46 V C 0.181 176.559 176.094 0.472 0.000 1.052 46 V CA -0.474 62.014 62.300 0.314 0.000 0.908 46 V CB 1.688 33.706 31.823 0.325 0.000 1.001 46 V HN 0.299 nan 8.190 nan 0.000 0.431 47 I N 4.427 125.176 120.570 0.299 0.000 2.533 47 I HA 0.373 4.542 4.170 -0.002 0.000 0.290 47 I C -1.438 174.834 176.117 0.258 0.000 1.056 47 I CA -0.771 60.692 61.300 0.272 0.000 1.057 47 I CB 2.270 40.322 38.000 0.088 0.000 1.240 47 I HN 0.347 nan 8.210 nan 0.000 0.423 48 L N 6.917 128.348 121.223 0.347 0.000 2.264 48 L HA 0.349 4.688 4.340 -0.002 0.000 0.287 48 L C -0.727 176.242 176.870 0.165 0.000 1.039 48 L CA -0.196 54.777 54.840 0.222 0.000 0.829 48 L CB 0.754 43.002 42.059 0.316 0.000 1.211 48 L HN 0.552 nan 8.230 nan 0.000 0.427 49 W N 7.708 128.936 121.300 -0.121 0.000 2.365 49 W HA 0.501 5.160 4.660 -0.003 0.000 0.316 49 W C -1.823 174.701 176.519 0.009 0.000 1.164 49 W CA -0.776 56.513 57.345 -0.094 0.000 1.204 49 W CB 1.365 30.647 29.460 -0.296 0.000 1.213 49 W HN 0.365 nan 8.180 nan 0.000 0.539 50 L N 6.258 126.966 121.223 -0.859 0.000 2.406 50 L HA 0.243 4.582 4.340 -0.002 0.000 0.272 50 L C -0.235 176.229 176.870 -0.677 0.000 0.980 50 L CA -0.586 53.936 54.840 -0.531 0.000 0.831 50 L CB 1.927 43.863 42.059 -0.205 0.000 1.253 50 L HN 0.452 nan 8.230 nan 0.000 0.406 51 N N 0.427 119.002 118.700 -0.208 0.000 2.458 51 N HA 0.587 5.325 4.740 -0.002 0.000 0.271 51 N C 0.455 176.005 175.510 0.066 0.000 1.210 51 N CA 0.129 53.161 53.050 -0.029 0.000 0.978 51 N CB 1.492 40.092 38.487 0.188 0.000 1.206 51 N HN 0.651 nan 8.380 nan 0.000 0.536 52 G N -1.523 107.292 108.800 0.025 0.000 3.226 52 G HA2 0.557 4.516 3.960 -0.002 0.000 0.190 52 G HA3 0.557 4.516 3.960 -0.002 0.000 0.190 52 G C 0.384 175.243 174.900 -0.069 0.000 1.988 52 G CA 0.375 45.460 45.100 -0.024 0.000 0.859 52 G HN 0.810 nan 8.290 nan 0.000 0.631 53 G N -0.347 108.339 108.800 -0.190 0.000 1.649 53 G HA2 0.065 4.024 3.960 -0.002 0.000 0.099 53 G HA3 0.065 4.024 3.960 -0.002 0.000 0.099 53 G C -2.540 172.097 174.900 -0.438 0.000 1.449 53 G CA 0.130 45.080 45.100 -0.250 0.000 1.238 53 G HN 0.755 nan 8.290 nan 0.000 0.398 54 P HA 0.489 nan 4.420 nan 0.000 0.276 54 P C 0.609 177.682 177.300 -0.378 0.000 1.244 54 P CA 1.436 64.104 63.100 -0.720 0.000 0.801 54 P CB 0.793 31.726 31.700 -1.280 0.000 1.006 55 G N -0.490 108.171 108.800 -0.231 0.000 2.165 55 G HA2 -0.157 3.801 3.960 -0.002 0.000 0.226 55 G HA3 -0.157 3.801 3.960 -0.002 0.000 0.226 55 G C -0.222 174.638 174.900 -0.067 0.000 1.035 55 G CA -0.405 44.624 45.100 -0.118 0.000 0.744 55 G HN 0.688 nan 8.290 nan 0.000 0.501 56 c N 0.455 119.035 118.600 -0.032 0.000 2.382 56 c HA 0.824 5.393 4.570 -0.002 0.000 0.327 56 c C 1.175 175.293 174.090 0.047 0.000 1.250 56 c CA -0.042 56.279 56.329 -0.014 0.000 1.707 56 c CB 1.295 43.797 42.510 -0.013 0.000 2.272 56 c HN 0.931 nan 8.230 nan 0.000 0.506 57 S N 1.766 117.491 115.700 0.042 0.000 2.579 57 S HA 0.085 4.554 4.470 -0.002 0.000 0.275 57 S C 1.078 175.822 174.600 0.239 0.000 1.345 57 S CA -0.125 58.170 58.200 0.159 0.000 1.031 57 S CB 0.653 63.989 63.200 0.226 0.000 0.892 57 S HN 0.806 nan 8.310 nan 0.000 0.529 58 S N 3.877 119.774 115.700 0.328 0.000 2.501 58 S HA 0.085 4.553 4.470 -0.002 0.000 0.220 58 S C 1.756 176.626 174.600 0.451 0.000 0.997 58 S CA 0.169 58.640 58.200 0.452 0.000 0.919 58 S CB -0.413 63.100 63.200 0.520 0.000 0.778 58 S HN 0.699 nan 8.310 nan 0.000 0.523 59 L N 1.697 123.107 121.223 0.311 0.000 2.129 59 L HA -0.175 4.164 4.340 -0.002 0.000 0.212 59 L C 2.567 179.492 176.870 0.092 0.000 1.087 59 L CA 1.280 56.187 54.840 0.112 0.000 0.757 59 L CB -1.635 40.555 42.059 0.219 0.000 0.896 59 L HN 0.311 nan 8.230 nan 0.000 0.434 60 T N -0.200 114.468 114.554 0.190 0.000 2.699 60 T HA -0.185 4.164 4.350 -0.002 0.000 0.268 60 T C 1.885 176.675 174.700 0.150 0.000 1.036 60 T CA 1.501 63.693 62.100 0.153 0.000 1.147 60 T CB -0.682 68.244 68.868 0.096 0.000 0.862 60 T HN 0.605 nan 8.240 nan 0.000 0.446 61 G N 1.048 109.965 108.800 0.195 0.000 2.403 61 G HA2 -0.048 3.910 3.960 -0.002 0.000 0.216 61 G HA3 -0.048 3.910 3.960 -0.002 0.000 0.216 61 G C 1.418 176.181 174.900 -0.229 0.000 1.154 61 G CA 0.294 45.414 45.100 0.033 0.000 0.784 61 G HN 0.434 nan 8.290 nan 0.000 0.538 62 L N -0.286 120.655 121.223 -0.471 0.000 1.933 62 L HA -0.032 4.306 4.340 -0.002 0.000 0.220 62 L C 1.956 178.379 176.870 -0.745 0.000 1.078 62 L CA 1.666 55.794 54.840 -1.186 0.000 0.773 62 L CB -0.362 40.470 42.059 -2.046 0.000 0.890 62 L HN 0.258 nan 8.230 nan 0.000 0.434 63 F N -1.055 118.660 119.950 -0.392 0.000 2.697 63 F HA 0.007 4.533 4.527 -0.002 0.000 0.297 63 F C 0.940 176.726 175.800 -0.023 0.000 1.203 63 F CA 0.072 57.924 58.000 -0.247 0.000 1.421 63 F CB -0.133 38.717 39.000 -0.250 0.000 1.033 63 F HN 0.130 nan 8.300 nan 0.000 0.512 64 F N -0.226 119.671 119.950 -0.088 0.000 2.897 64 F HA 0.121 4.647 4.527 -0.002 0.000 0.377 64 F C 1.267 177.060 175.800 -0.012 0.000 0.917 64 F CA 0.032 58.013 58.000 -0.032 0.000 1.079 64 F CB 0.365 39.328 39.000 -0.063 0.000 1.068 64 F HN -0.014 nan 8.300 nan 0.000 0.581 65 E N 0.114 120.208 120.200 -0.177 0.000 2.583 65 E HA 0.229 4.578 4.350 -0.002 0.000 0.204 65 E C 0.649 176.996 176.600 -0.422 0.000 0.860 65 E CA 0.841 57.082 56.400 -0.264 0.000 1.473 65 E CB 0.541 30.132 29.700 -0.182 0.000 1.469 65 E HN 0.316 nan 8.360 nan 0.000 0.788 66 L N -1.803 119.096 121.223 -0.539 0.000 3.826 66 L HA 0.553 4.892 4.340 -0.002 0.000 0.362 66 L C 0.595 177.237 176.870 -0.381 0.000 1.235 66 L CA -0.386 54.032 54.840 -0.704 0.000 1.207 66 L CB 0.750 41.850 42.059 -1.599 0.000 1.518 66 L HN 0.050 nan 8.230 nan 0.000 0.628 67 G N 0.481 109.092 108.800 -0.316 0.000 2.535 67 G HA2 0.530 4.489 3.960 -0.002 0.000 0.282 67 G HA3 0.530 4.489 3.960 -0.002 0.000 0.282 67 G C -1.977 172.796 174.900 -0.213 0.000 1.350 67 G CA -0.688 44.249 45.100 -0.271 0.000 1.039 67 G HN 0.017 nan 8.290 nan 0.000 0.509 68 P HA 0.181 nan 4.420 nan 0.000 0.217 68 P C 1.114 178.310 177.300 -0.173 0.000 1.153 68 P CA 1.282 64.289 63.100 -0.155 0.000 0.843 68 P CB 0.062 31.689 31.700 -0.121 0.000 0.794 69 S N -0.544 114.982 115.700 -0.290 0.000 2.646 69 S HA 0.598 5.066 4.470 -0.002 0.000 0.276 69 S C 0.262 174.817 174.600 -0.075 0.000 1.222 69 S CA -0.190 57.908 58.200 -0.170 0.000 1.014 69 S CB 0.388 63.507 63.200 -0.134 0.000 0.991 69 S HN -0.053 nan 8.310 nan 0.000 0.533 70 S N 0.137 115.852 115.700 0.025 0.000 2.627 70 S HA 0.698 5.167 4.470 -0.002 0.000 0.283 70 S C -0.952 173.659 174.600 0.017 0.000 1.127 70 S CA -0.473 57.759 58.200 0.053 0.000 0.863 70 S CB 1.061 64.266 63.200 0.009 0.000 1.121 70 S HN 0.606 nan 8.310 nan 0.000 0.479 71 I N 1.861 122.443 120.570 0.021 0.000 2.306 71 I HA 0.523 4.692 4.170 -0.002 0.000 0.288 71 I C 0.701 176.854 176.117 0.060 0.000 1.036 71 I CA -0.337 60.951 61.300 -0.019 0.000 1.221 71 I CB 0.773 38.655 38.000 -0.197 0.000 1.385 71 I HN 0.738 nan 8.210 nan 0.000 0.472 72 G N 5.826 114.669 108.800 0.072 0.000 2.434 72 G HA2 0.449 4.408 3.960 -0.002 0.000 0.330 72 G HA3 0.449 4.408 3.960 -0.002 0.000 0.330 72 G C -1.893 173.063 174.900 0.094 0.000 1.155 72 G CA -1.509 43.641 45.100 0.084 0.000 0.917 72 G HN 0.327 nan 8.290 nan 0.000 0.493 73 P HA -0.186 nan 4.420 nan 0.000 0.218 73 P C 1.291 178.637 177.300 0.076 0.000 1.152 73 P CA 1.638 64.781 63.100 0.072 0.000 0.857 73 P CB 0.123 31.858 31.700 0.058 0.000 0.787 74 D N -0.753 119.695 120.400 0.081 0.000 2.309 74 D HA -0.145 4.494 4.640 -0.002 0.000 0.212 74 D C 0.769 177.143 176.300 0.122 0.000 0.968 74 D CA 0.414 54.464 54.000 0.083 0.000 0.882 74 D CB -0.774 40.072 40.800 0.075 0.000 0.918 74 D HN -0.019 nan 8.370 nan 0.000 0.503 75 L N -0.702 120.628 121.223 0.178 0.000 3.717 75 L HA -0.200 4.139 4.340 -0.002 0.000 0.414 75 L C -0.603 176.537 176.870 0.451 0.000 1.228 75 L CA 0.605 55.635 54.840 0.316 0.000 0.918 75 L CB -1.855 40.301 42.059 0.162 0.000 1.865 75 L HN 0.200 nan 8.230 nan 0.000 0.922 76 K N 0.246 120.862 120.400 0.359 0.000 2.292 76 K HA 0.634 4.953 4.320 -0.002 0.000 0.257 76 K C -2.115 174.635 176.600 0.249 0.000 0.940 76 K CA -1.842 54.648 56.287 0.339 0.000 0.811 76 K CB 1.767 34.379 32.500 0.186 0.000 1.120 76 K HN -0.196 nan 8.250 nan 0.000 0.428 77 P HA 0.147 nan 4.420 nan 0.000 0.270 77 P C -0.430 176.917 177.300 0.078 0.000 1.221 77 P CA 0.030 63.194 63.100 0.107 0.000 0.788 77 P CB 0.475 32.272 31.700 0.161 0.000 0.904 78 I N -0.509 120.084 120.570 0.038 0.000 2.827 78 I HA 0.429 4.597 4.170 -0.002 0.000 0.298 78 I C 0.337 176.455 176.117 0.001 0.000 1.235 78 I CA -0.507 60.808 61.300 0.025 0.000 1.021 78 I CB 2.310 40.324 38.000 0.022 0.000 1.259 78 I HN 0.259 nan 8.210 nan 0.000 0.427 79 G N 2.004 110.802 108.800 -0.002 0.000 2.372 79 G HA2 0.340 4.298 3.960 -0.002 0.000 0.283 79 G HA3 0.340 4.298 3.960 -0.002 0.000 0.283 79 G C -0.691 174.188 174.900 -0.034 0.000 1.177 79 G CA -0.309 44.780 45.100 -0.019 0.000 0.842 79 G HN 0.624 nan 8.290 nan 0.000 0.503 80 N N 1.938 120.611 118.700 -0.045 0.000 2.444 80 N HA 0.365 5.104 4.740 -0.002 0.000 0.271 80 N C -1.316 174.160 175.510 -0.058 0.000 1.069 80 N CA -1.873 51.153 53.050 -0.039 0.000 0.965 80 N CB 1.741 40.201 38.487 -0.045 0.000 1.092 80 N HN 0.099 nan 8.380 nan 0.000 0.476 81 P HA 0.040 nan 4.420 nan 0.000 0.242 81 P C -0.854 176.058 177.300 -0.647 0.000 1.197 81 P CA 0.973 63.890 63.100 -0.305 0.000 0.765 81 P CB 0.004 31.537 31.700 -0.279 0.000 0.936 82 Y N -2.061 118.236 120.300 -0.006 0.000 2.892 82 Y HA 0.172 4.721 4.550 -0.003 0.000 0.242 82 Y C 0.906 176.853 175.900 0.077 0.000 1.080 82 Y CA -0.726 57.391 58.100 0.028 0.000 1.147 82 Y CB -0.353 38.121 38.460 0.023 0.000 1.229 82 Y HN -0.205 nan 8.280 nan 0.000 0.633 83 S N -0.430 115.351 115.700 0.135 0.000 2.553 83 S HA -0.141 4.328 4.470 -0.002 0.000 0.271 83 S C 0.941 175.723 174.600 0.304 0.000 1.362 83 S CA 0.264 58.554 58.200 0.151 0.000 1.010 83 S CB 0.549 63.781 63.200 0.054 0.000 0.865 83 S HN 0.499 nan 8.310 nan 0.000 0.543 84 W N 2.056 123.338 121.300 -0.030 0.000 2.476 84 W HA 0.102 4.761 4.660 -0.001 0.000 0.281 84 W C 2.162 178.677 176.519 -0.008 0.000 1.230 84 W CA 0.720 58.044 57.345 -0.035 0.000 1.287 84 W CB -0.773 28.629 29.460 -0.097 0.000 1.108 84 W HN 0.923 nan 8.180 nan 0.000 0.567 85 N N 0.140 118.952 118.700 0.188 0.000 2.449 85 N HA -0.008 4.731 4.740 -0.002 0.000 0.191 85 N C 1.490 177.052 175.510 0.086 0.000 1.161 85 N CA 1.183 54.301 53.050 0.114 0.000 0.863 85 N CB -0.663 37.901 38.487 0.128 0.000 0.980 85 N HN 0.127 nan 8.380 nan 0.000 0.458 86 S N 1.177 116.925 115.700 0.080 0.000 2.407 86 S HA -0.151 4.318 4.470 -0.002 0.000 0.235 86 S C 1.450 176.076 174.600 0.043 0.000 1.036 86 S CA 1.163 59.394 58.200 0.052 0.000 1.013 86 S CB -0.270 62.958 63.200 0.046 0.000 0.820 86 S HN 0.431 nan 8.310 nan 0.000 0.476 87 N N 0.462 119.194 118.700 0.055 0.000 2.588 87 N HA 0.529 5.268 4.740 -0.002 0.000 0.298 87 N C -1.007 174.593 175.510 0.150 0.000 1.718 87 N CA 0.711 53.815 53.050 0.090 0.000 0.888 87 N CB 1.141 39.665 38.487 0.062 0.000 1.389 87 N HN 0.528 nan 8.380 nan 0.000 0.491 88 A N -0.297 122.578 122.820 0.092 0.000 2.596 88 A HA 0.184 4.503 4.320 -0.002 0.000 0.305 88 A C -0.582 177.038 177.584 0.060 0.000 1.032 88 A CA -0.578 51.502 52.037 0.070 0.000 0.776 88 A CB 0.562 19.564 19.000 0.003 0.000 1.253 88 A HN -0.030 nan 8.150 nan 0.000 0.402 89 T N 1.558 116.143 114.554 0.051 0.000 2.751 89 T HA 0.516 4.865 4.350 -0.002 0.000 0.290 89 T C 0.208 174.899 174.700 -0.015 0.000 0.919 89 T CA 0.829 62.932 62.100 0.005 0.000 1.136 89 T CB -0.864 67.942 68.868 -0.102 0.000 0.875 89 T HN 1.968 nan 8.240 nan 0.000 0.532 90 V N 6.480 126.404 119.914 0.017 0.000 2.612 90 V HA 0.758 4.876 4.120 -0.002 0.000 0.301 90 V C 0.023 176.088 176.094 -0.049 0.000 1.046 90 V CA -1.039 61.243 62.300 -0.030 0.000 0.946 90 V CB 1.283 33.065 31.823 -0.068 0.000 1.003 90 V HN 0.945 nan 8.190 nan 0.000 0.459 91 I N 3.549 124.034 120.570 -0.141 0.000 2.378 91 I HA 0.474 4.643 4.170 -0.002 0.000 0.291 91 I C -1.086 174.960 176.117 -0.119 0.000 0.992 91 I CA -0.081 61.155 61.300 -0.107 0.000 1.154 91 I CB 1.530 39.343 38.000 -0.310 0.000 1.315 91 I HN 0.562 nan 8.210 nan 0.000 0.448 92 F N 6.625 126.681 119.950 0.178 0.000 2.366 92 F HA 0.319 4.845 4.527 -0.002 0.000 0.328 92 F C 0.021 175.964 175.800 0.238 0.000 1.180 92 F CA -0.625 57.509 58.000 0.223 0.000 1.232 92 F CB 0.702 39.807 39.000 0.174 0.000 1.513 92 F HN 0.304 nan 8.300 nan 0.000 0.540 93 L N 1.823 123.192 121.223 0.245 0.000 2.426 93 L HA 0.255 4.594 4.340 -0.002 0.000 0.271 93 L C -0.089 176.921 176.870 0.232 0.000 1.169 93 L CA 0.447 55.355 54.840 0.112 0.000 0.836 93 L CB 0.464 42.393 42.059 -0.218 0.000 1.112 93 L HN 0.174 nan 8.230 nan 0.000 0.465 94 D N 3.812 124.384 120.400 0.286 0.000 2.514 94 D HA 0.203 4.842 4.640 -0.002 0.000 0.267 94 D C -0.736 175.694 176.300 0.217 0.000 1.165 94 D CA 0.064 54.256 54.000 0.320 0.000 0.958 94 D CB 0.348 41.431 40.800 0.472 0.000 0.992 94 D HN 0.538 nan 8.370 nan 0.000 0.506 95 Q N 2.340 122.224 119.800 0.139 0.000 2.348 95 Q HA 0.498 4.837 4.340 -0.002 0.000 0.271 95 Q C -2.775 173.253 176.000 0.048 0.000 1.067 95 Q CA -1.868 53.989 55.803 0.090 0.000 0.839 95 Q CB 2.757 31.505 28.738 0.016 0.000 1.354 95 Q HN 0.033 nan 8.270 nan 0.000 0.447 96 P HA 0.138 nan 4.420 nan 0.000 0.318 96 P C -0.538 176.812 177.300 0.083 0.000 1.309 96 P CA -0.487 62.660 63.100 0.078 0.000 0.736 96 P CB 0.220 31.990 31.700 0.117 0.000 1.440 97 V N 1.590 121.546 119.914 0.069 0.000 2.521 97 V HA 0.082 4.201 4.120 -0.002 0.000 0.286 97 V C 1.015 177.133 176.094 0.040 0.000 1.034 97 V CA 0.467 62.751 62.300 -0.026 0.000 1.045 97 V CB -1.022 30.760 31.823 -0.068 0.000 0.974 97 V HN 0.663 nan 8.190 nan 0.000 0.480 98 N N 1.491 120.225 118.700 0.056 0.000 3.016 98 N HA -0.132 4.607 4.740 -0.002 0.000 0.223 98 N C -0.227 175.326 175.510 0.072 0.000 0.922 98 N CA 0.368 53.477 53.050 0.098 0.000 0.998 98 N CB -0.684 37.860 38.487 0.094 0.000 1.064 98 N HN 0.470 nan 8.380 nan 0.000 0.566 99 V N 0.786 120.742 119.914 0.071 0.000 2.644 99 V HA 0.584 4.702 4.120 -0.002 0.000 0.295 99 V C 1.834 177.962 176.094 0.057 0.000 1.053 99 V CA 0.740 63.063 62.300 0.038 0.000 0.987 99 V CB 1.098 32.958 31.823 0.060 0.000 1.006 99 V HN 0.546 nan 8.190 nan 0.000 0.472 100 G N 3.713 112.458 108.800 -0.092 0.000 2.879 100 G HA2 -0.377 3.582 3.960 -0.002 0.000 0.353 100 G HA3 -0.377 3.582 3.960 -0.002 0.000 0.353 100 G C 0.534 175.434 174.900 -0.000 0.000 1.182 100 G CA 1.602 46.622 45.100 -0.133 0.000 0.957 100 G HN 0.618 nan 8.290 nan 0.000 0.587 101 F N 2.078 122.167 119.950 0.230 0.000 2.717 101 F HA 0.448 4.973 4.527 -0.002 0.000 0.297 101 F C 2.076 178.070 175.800 0.323 0.000 1.113 101 F CA 0.422 58.474 58.000 0.087 0.000 1.319 101 F CB 0.169 38.765 39.000 -0.673 0.000 1.097 101 F HN 0.243 nan 8.300 nan 0.000 0.595 102 S N -0.088 115.901 115.700 0.482 0.000 2.606 102 S HA 0.345 4.814 4.470 -0.002 0.000 0.257 102 S C -0.682 174.155 174.600 0.395 0.000 1.327 102 S CA 0.099 58.562 58.200 0.438 0.000 0.984 102 S CB 0.495 63.795 63.200 0.165 0.000 0.941 102 S HN 0.370 nan 8.310 nan 0.000 0.576 103 Y N -2.352 118.022 120.300 0.123 0.000 2.895 103 Y HA 0.741 5.290 4.550 -0.002 0.000 0.339 103 Y C -0.698 175.270 175.900 0.113 0.000 1.363 103 Y CA -0.847 57.294 58.100 0.067 0.000 1.085 103 Y CB 0.759 39.231 38.460 0.021 0.000 1.500 103 Y HN 0.666 nan 8.280 nan 0.000 0.442 104 S N -1.528 114.331 115.700 0.265 0.000 2.645 104 S HA 0.514 4.983 4.470 -0.002 0.000 0.268 104 S C -0.096 174.643 174.600 0.232 0.000 1.110 104 S CA -0.202 58.135 58.200 0.228 0.000 0.823 104 S CB 0.778 64.034 63.200 0.094 0.000 1.091 104 S HN 1.704 nan 8.310 nan 0.000 0.466 105 G N 0.644 109.557 108.800 0.189 0.000 2.576 105 G HA2 0.348 4.307 3.960 -0.002 0.000 0.210 105 G HA3 0.348 4.307 3.960 -0.002 0.000 0.210 105 G C 0.208 175.166 174.900 0.098 0.000 1.143 105 G CA 0.751 45.931 45.100 0.133 0.000 0.819 105 G HN 1.683 nan 8.290 nan 0.000 0.534 106 S N -0.781 114.975 115.700 0.094 0.000 2.446 106 S HA 0.678 5.147 4.470 -0.002 0.000 0.230 106 S C -0.671 173.970 174.600 0.068 0.000 1.051 106 S CA -0.088 58.156 58.200 0.073 0.000 1.113 106 S CB 1.457 64.695 63.200 0.064 0.000 1.184 106 S HN 0.139 nan 8.310 nan 0.000 0.435 107 S N 2.434 118.175 115.700 0.069 0.000 4.341 107 S HA 0.979 5.448 4.470 -0.002 0.000 0.223 107 S C 0.787 175.426 174.600 0.065 0.000 1.085 107 S CA 0.183 58.422 58.200 0.066 0.000 1.732 107 S CB 0.788 64.028 63.200 0.067 0.000 0.999 107 S HN 1.119 nan 8.310 nan 0.000 0.742 108 G N -0.251 108.593 108.800 0.073 0.000 3.193 108 G HA2 0.426 4.385 3.960 -0.002 0.000 0.186 108 G HA3 0.426 4.385 3.960 -0.002 0.000 0.186 108 G C 0.125 175.084 174.900 0.098 0.000 1.536 108 G CA 0.764 45.907 45.100 0.071 0.000 0.943 108 G HN 1.804 nan 8.290 nan 0.000 0.781 109 V N -0.077 119.902 119.914 0.108 0.000 6.016 109 V HA -0.170 3.949 4.120 -0.002 0.000 0.265 109 V C 0.416 176.628 176.094 0.197 0.000 0.621 109 V CA 1.370 63.779 62.300 0.181 0.000 0.592 109 V CB -2.813 29.159 31.823 0.249 0.000 0.298 109 V HN 1.698 nan 8.190 nan 0.000 0.615 110 S N -0.365 115.316 115.700 -0.031 0.000 2.650 110 S HA 0.488 4.956 4.470 -0.002 0.000 0.240 110 S C 0.271 174.426 174.600 -0.742 0.000 1.007 110 S CA 0.233 58.320 58.200 -0.188 0.000 0.984 110 S CB 0.035 63.200 63.200 -0.057 0.000 0.910 110 S HN 2.083 nan 8.310 nan 0.000 0.509 111 N N -1.330 116.827 118.700 -0.906 0.000 3.020 111 N HA 0.352 5.091 4.740 -0.002 0.000 0.248 111 N C 0.133 175.506 175.510 -0.227 0.000 1.480 111 N CA -0.445 52.117 53.050 -0.814 0.000 0.874 111 N CB 0.454 38.797 38.487 -0.241 0.000 1.433 111 N HN -0.242 nan 8.380 nan 0.000 0.530 112 T N -0.361 114.314 114.554 0.202 0.000 2.814 112 T HA 0.016 4.365 4.350 -0.002 0.000 0.254 112 T C 1.565 176.482 174.700 0.362 0.000 1.037 112 T CA 1.085 63.473 62.100 0.479 0.000 1.143 112 T CB -0.229 68.808 68.868 0.282 0.000 0.866 112 T HN 0.333 nan 8.240 nan 0.000 0.431 113 V N 2.002 122.067 119.914 0.252 0.000 2.278 113 V HA -0.264 3.855 4.120 -0.002 0.000 0.251 113 V C 2.735 178.911 176.094 0.136 0.000 1.062 113 V CA 2.127 64.549 62.300 0.204 0.000 1.038 113 V CB -0.990 30.936 31.823 0.173 0.000 0.646 113 V HN 0.555 nan 8.190 nan 0.000 0.447 114 A N -1.179 121.707 122.820 0.110 0.000 2.206 114 A HA 0.244 4.563 4.320 -0.002 0.000 0.211 114 A C 2.202 179.817 177.584 0.052 0.000 1.158 114 A CA 1.434 53.513 52.037 0.068 0.000 0.761 114 A CB -0.370 18.669 19.000 0.064 0.000 0.801 114 A HN 0.572 nan 8.150 nan 0.000 0.473 115 A N -0.440 122.427 122.820 0.080 0.000 1.887 115 A HA 0.316 4.635 4.320 -0.002 0.000 0.212 115 A C 2.346 179.671 177.584 -0.432 0.000 1.198 115 A CA 1.335 53.360 52.037 -0.020 0.000 0.628 115 A CB -1.289 17.821 19.000 0.183 0.000 0.847 115 A HN 0.629 nan 8.150 nan 0.000 0.449 116 G N 0.109 108.469 108.800 -0.734 0.000 2.469 116 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.219 116 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.219 116 G C 1.629 176.248 174.900 -0.467 0.000 1.150 116 G CA 1.301 45.631 45.100 -1.284 0.000 0.763 116 G HN 0.542 nan 8.290 nan 0.000 0.561 117 K N 0.043 120.326 120.400 -0.195 0.000 2.127 117 K HA -0.148 4.171 4.320 -0.002 0.000 0.208 117 K C 1.975 178.534 176.600 -0.069 0.000 1.047 117 K CA 1.680 57.922 56.287 -0.075 0.000 0.927 117 K CB -0.044 32.451 32.500 -0.009 0.000 0.716 117 K HN 0.242 nan 8.250 nan 0.000 0.450 118 D N -0.490 119.841 120.400 -0.115 0.000 2.240 118 D HA -0.054 4.585 4.640 -0.002 0.000 0.206 118 D C 1.839 177.954 176.300 -0.308 0.000 0.963 118 D CA 0.451 54.387 54.000 -0.106 0.000 0.863 118 D CB -0.029 40.832 40.800 0.102 0.000 0.973 118 D HN -0.079 nan 8.370 nan 0.000 0.501 119 V N 0.871 120.564 119.914 -0.369 0.000 2.343 119 V HA -0.266 3.853 4.120 -0.002 0.000 0.247 119 V C 2.197 178.204 176.094 -0.145 0.000 1.051 119 V CA 1.345 63.419 62.300 -0.378 0.000 1.036 119 V CB -0.584 30.908 31.823 -0.550 0.000 0.654 119 V HN 0.204 nan 8.190 nan 0.000 0.451 120 Y N 1.831 122.009 120.300 -0.203 0.000 2.274 120 Y HA -0.179 4.370 4.550 -0.002 0.000 0.290 120 Y C 2.282 178.146 175.900 -0.060 0.000 1.145 120 Y CA 1.642 59.701 58.100 -0.069 0.000 1.203 120 Y CB -0.296 38.076 38.460 -0.148 0.000 0.984 120 Y HN 0.322 nan 8.280 nan 0.000 0.533 121 N N -0.235 118.508 118.700 0.072 0.000 2.453 121 N HA -0.151 4.588 4.740 -0.002 0.000 0.183 121 N C 1.420 176.849 175.510 -0.135 0.000 1.041 121 N CA 1.236 54.287 53.050 0.003 0.000 0.900 121 N CB -0.569 37.940 38.487 0.037 0.000 0.961 121 N HN 0.569 nan 8.380 nan 0.000 0.443 122 F N 0.489 120.173 119.950 -0.442 0.000 2.505 122 F HA 0.259 4.785 4.527 -0.002 0.000 0.289 122 F C 1.733 177.262 175.800 -0.452 0.000 1.101 122 F CA 0.133 57.834 58.000 -0.498 0.000 1.446 122 F CB -0.235 38.299 39.000 -0.777 0.000 1.123 122 F HN -0.154 nan 8.300 nan 0.000 0.564 123 L N 0.887 121.885 121.223 -0.375 0.000 2.131 123 L HA -0.167 4.171 4.340 -0.002 0.000 0.210 123 L C 2.459 178.820 176.870 -0.848 0.000 1.092 123 L CA 2.022 56.376 54.840 -0.811 0.000 0.759 123 L CB -0.687 40.999 42.059 -0.622 0.000 0.903 123 L HN 0.388 nan 8.230 nan 0.000 0.435 124 E N 0.327 120.344 120.200 -0.305 0.000 2.158 124 E HA -0.161 4.188 4.350 -0.002 0.000 0.191 124 E C 2.198 178.724 176.600 -0.124 0.000 0.982 124 E CA 0.563 56.968 56.400 0.009 0.000 0.823 124 E CB 0.182 29.868 29.700 -0.023 0.000 0.766 124 E HN 0.509 nan 8.360 nan 0.000 0.468 125 L N 0.222 121.287 121.223 -0.263 0.000 2.240 125 L HA -0.034 4.305 4.340 -0.002 0.000 0.211 125 L C 2.485 179.164 176.870 -0.319 0.000 1.106 125 L CA 0.638 55.339 54.840 -0.232 0.000 0.793 125 L CB -0.549 41.376 42.059 -0.223 0.000 0.927 125 L HN 0.162 nan 8.230 nan 0.000 0.446 126 F N 0.458 119.932 119.950 -0.794 0.000 2.219 126 F HA -0.063 4.463 4.527 -0.002 0.000 0.294 126 F C 2.167 177.733 175.800 -0.390 0.000 1.086 126 F CA 0.936 58.434 58.000 -0.836 0.000 1.330 126 F CB -0.345 37.728 39.000 -1.546 0.000 1.047 126 F HN -0.173 nan 8.300 nan 0.000 0.495 127 F N 1.574 121.369 119.950 -0.258 0.000 2.269 127 F HA -0.100 4.426 4.527 -0.002 0.000 0.301 127 F C 2.094 177.753 175.800 -0.236 0.000 1.082 127 F CA 1.310 59.152 58.000 -0.263 0.000 1.360 127 F CB -1.282 37.575 39.000 -0.238 0.000 1.041 127 F HN 0.092 nan 8.300 nan 0.000 0.512 128 D N -0.467 119.928 120.400 -0.008 0.000 2.077 128 D HA -0.177 4.462 4.640 -0.002 0.000 0.193 128 D C 2.253 178.474 176.300 -0.132 0.000 0.989 128 D CA 1.481 55.450 54.000 -0.051 0.000 0.831 128 D CB -0.063 40.701 40.800 -0.059 0.000 0.979 128 D HN 0.151 nan 8.370 nan 0.000 0.449 129 Q N -0.681 119.011 119.800 -0.180 0.000 2.291 129 Q HA -0.112 4.226 4.340 -0.002 0.000 0.206 129 Q C 0.133 175.758 176.000 -0.625 0.000 0.976 129 Q CA 0.844 56.450 55.803 -0.327 0.000 0.875 129 Q CB 0.004 28.574 28.738 -0.280 0.000 0.927 129 Q HN 0.399 nan 8.270 nan 0.000 0.450 130 F N 0.340 120.033 119.950 -0.429 0.000 2.564 130 F HA 0.312 4.837 4.527 -0.002 0.000 0.329 130 F C -1.864 173.681 175.800 -0.426 0.000 1.458 130 F CA -2.607 55.110 58.000 -0.472 0.000 1.117 130 F CB 1.218 39.931 39.000 -0.479 0.000 1.383 130 F HN -0.098 nan 8.300 nan 0.000 0.571 131 P HA -0.117 nan 4.420 nan 0.000 0.234 131 P C 0.440 177.609 177.300 -0.219 0.000 1.167 131 P CA 0.985 63.992 63.100 -0.155 0.000 0.763 131 P CB -0.027 31.592 31.700 -0.135 0.000 0.835 132 E N -1.559 118.401 120.200 -0.401 0.000 2.482 132 E HA -0.100 4.249 4.350 -0.002 0.000 0.200 132 E C 0.093 176.366 176.600 -0.546 0.000 1.147 132 E CA 0.558 56.658 56.400 -0.499 0.000 0.912 132 E CB -0.582 28.723 29.700 -0.660 0.000 0.938 132 E HN 0.430 nan 8.360 nan 0.000 0.519 133 Y N -1.709 118.593 120.300 0.002 0.000 2.563 133 Y HA 0.178 4.726 4.550 -0.002 0.000 0.250 133 Y C 1.331 177.179 175.900 -0.087 0.000 1.126 133 Y CA -0.353 57.756 58.100 0.016 0.000 1.231 133 Y CB 0.658 39.202 38.460 0.139 0.000 1.288 133 Y HN -0.068 nan 8.280 nan 0.000 0.537 134 V N -0.068 119.815 119.914 -0.052 0.000 2.988 134 V HA -0.089 4.030 4.120 -0.002 0.000 0.223 134 V C 1.526 177.597 176.094 -0.037 0.000 1.144 134 V CA 1.221 63.461 62.300 -0.101 0.000 1.242 134 V CB -0.705 30.987 31.823 -0.219 0.000 1.073 134 V HN 0.273 nan 8.190 nan 0.000 0.508 135 N N 1.700 120.370 118.700 -0.050 0.000 2.271 135 N HA -0.326 4.413 4.740 -0.002 0.000 0.192 135 N C 1.281 176.785 175.510 -0.010 0.000 0.906 135 N CA 2.038 55.069 53.050 -0.032 0.000 0.920 135 N CB -0.651 37.810 38.487 -0.043 0.000 1.064 135 N HN 0.304 nan 8.380 nan 0.000 0.752 136 K N 0.108 120.508 120.400 0.001 0.000 2.519 136 K HA 0.039 4.358 4.320 -0.002 0.000 0.196 136 K C 1.095 177.717 176.600 0.036 0.000 1.041 136 K CA 0.919 57.220 56.287 0.022 0.000 0.954 136 K CB -0.927 31.596 32.500 0.039 0.000 0.774 136 K HN 0.592 nan 8.250 nan 0.000 0.480 137 G N 2.070 110.889 108.800 0.033 0.000 2.291 137 G HA2 -0.280 3.678 3.960 -0.002 0.000 0.271 137 G HA3 -0.280 3.678 3.960 -0.002 0.000 0.271 137 G C -0.609 174.335 174.900 0.073 0.000 1.099 137 G CA -0.137 44.989 45.100 0.043 0.000 0.919 137 G HN 0.394 nan 8.290 nan 0.000 0.496 138 Q N 0.517 120.369 119.800 0.086 0.000 2.441 138 Q HA 0.342 4.681 4.340 -0.002 0.000 0.234 138 Q C -0.096 176.011 176.000 0.179 0.000 1.078 138 Q CA -0.665 55.220 55.803 0.136 0.000 0.907 138 Q CB 0.721 29.562 28.738 0.172 0.000 1.269 138 Q HN 0.377 nan 8.270 nan 0.000 0.502 139 D N 2.194 122.707 120.400 0.188 0.000 2.819 139 D HA -0.139 4.499 4.640 -0.002 0.000 0.236 139 D C -1.177 175.365 176.300 0.402 0.000 1.181 139 D CA 0.845 54.982 54.000 0.228 0.000 0.855 139 D CB 0.125 41.085 40.800 0.266 0.000 1.146 139 D HN 0.249 nan 8.370 nan 0.000 0.540 140 F N 4.606 124.680 119.950 0.208 0.000 2.458 140 F HA 0.431 4.957 4.527 -0.002 0.000 0.336 140 F C -0.371 175.654 175.800 0.375 0.000 1.114 140 F CA -0.654 57.542 58.000 0.326 0.000 0.987 140 F CB 0.901 40.073 39.000 0.287 0.000 1.130 140 F HN 0.415 nan 8.300 nan 0.000 0.458 141 H N 4.983 123.678 119.070 -0.624 0.000 2.949 141 H HA 0.700 5.254 4.556 -0.002 0.000 0.356 141 H C -1.233 173.674 175.328 -0.702 0.000 1.212 141 H CA -1.434 54.217 56.048 -0.661 0.000 1.136 141 H CB 2.545 32.251 29.762 -0.094 0.000 1.869 141 H HN 0.475 nan 8.280 nan 0.000 0.556 142 I N 0.635 121.087 120.570 -0.197 0.000 2.608 142 I HA 0.693 4.861 4.170 -0.002 0.000 0.295 142 I C -0.531 175.612 176.117 0.044 0.000 1.049 142 I CA -0.826 60.444 61.300 -0.051 0.000 1.063 142 I CB 2.146 40.139 38.000 -0.011 0.000 1.248 142 I HN 0.665 nan 8.210 nan 0.000 0.424 143 A N 3.302 126.170 122.820 0.080 0.000 2.498 143 A HA 1.027 5.345 4.320 -0.002 0.000 0.298 143 A C -0.496 176.945 177.584 -0.238 0.000 1.075 143 A CA -0.400 51.688 52.037 0.085 0.000 0.714 143 A CB 1.929 21.119 19.000 0.317 0.000 1.299 143 A HN 1.027 nan 8.150 nan 0.000 0.407 144 G N -0.460 108.094 108.800 -0.410 0.000 2.550 144 G HA2 0.574 4.533 3.960 -0.002 0.000 0.293 144 G HA3 0.574 4.533 3.960 -0.002 0.000 0.293 144 G C -1.703 172.841 174.900 -0.593 0.000 1.402 144 G CA -0.080 44.520 45.100 -0.834 0.000 0.784 144 G HN 0.899 nan 8.290 nan 0.000 0.482 145 E N -0.764 119.110 120.200 -0.543 0.000 2.367 145 E HA 0.539 4.888 4.350 -0.002 0.000 0.273 145 E C 0.758 177.217 176.600 -0.235 0.000 0.903 145 E CA 0.387 56.589 56.400 -0.330 0.000 0.764 145 E CB 2.178 31.770 29.700 -0.181 0.000 1.252 145 E HN 1.864 nan 8.360 nan 0.000 0.446 146 S N 2.739 118.315 115.700 -0.207 0.000 4.155 146 S HA -0.402 4.066 4.470 -0.002 0.000 0.576 146 S C 1.075 175.566 174.600 -0.183 0.000 1.870 146 S CA 1.343 59.507 58.200 -0.059 0.000 4.248 146 S CB -1.571 61.769 63.200 0.233 0.000 0.215 146 S HN 0.774 nan 8.310 nan 0.000 0.460 147 Y N 3.098 123.167 120.300 -0.385 0.000 2.497 147 Y HA 0.388 4.937 4.550 -0.002 0.000 0.292 147 Y C 2.793 178.214 175.900 -0.797 0.000 1.137 147 Y CA 1.487 59.179 58.100 -0.680 0.000 1.285 147 Y CB -0.799 37.135 38.460 -0.877 0.000 0.991 147 Y HN 0.759 nan 8.280 nan 0.000 0.556 148 A N -0.699 121.839 122.820 -0.471 0.000 2.209 148 A HA 0.008 4.327 4.320 -0.002 0.000 0.212 148 A C 2.355 179.739 177.584 -0.333 0.000 1.158 148 A CA 1.102 52.946 52.037 -0.322 0.000 0.742 148 A CB -1.198 17.721 19.000 -0.136 0.000 0.790 148 A HN 0.471 nan 8.150 nan 0.000 0.472 149 G N -2.117 106.472 108.800 -0.352 0.000 2.679 149 G HA2 0.012 3.971 3.960 -0.002 0.000 0.212 149 G HA3 0.012 3.971 3.960 -0.002 0.000 0.212 149 G C 1.196 175.897 174.900 -0.331 0.000 1.137 149 G CA 0.915 45.853 45.100 -0.271 0.000 0.787 149 G HN 0.639 nan 8.290 nan 0.000 0.534 150 H N -1.688 116.992 119.070 -0.650 0.000 2.348 150 H HA 0.224 4.778 4.556 -0.002 0.000 0.313 150 H C 2.083 177.008 175.328 -0.671 0.000 1.051 150 H CA 0.305 55.917 56.048 -0.726 0.000 1.420 150 H CB -0.106 28.967 29.762 -1.149 0.000 1.484 150 H HN 0.114 nan 8.280 nan 0.000 0.609 151 Y N 1.090 121.023 120.300 -0.611 0.000 2.014 151 Y HA -0.265 4.283 4.550 -0.002 0.000 0.272 151 Y C 2.643 177.656 175.900 -1.478 0.000 1.164 151 Y CA 1.352 58.762 58.100 -1.151 0.000 1.114 151 Y CB -1.183 36.733 38.460 -0.906 0.000 0.961 151 Y HN 0.158 nan 8.280 nan 0.000 0.489 152 I N 0.014 120.199 120.570 -0.641 0.000 2.094 152 I HA -0.376 3.793 4.170 -0.002 0.000 0.236 152 I C -0.385 175.589 176.117 -0.239 0.000 1.016 152 I CA 2.378 63.457 61.300 -0.368 0.000 1.294 152 I CB -1.759 36.124 38.000 -0.196 0.000 1.006 152 I HN 0.208 nan 8.210 nan 0.000 0.397 153 P HA -0.116 nan 4.420 nan 0.000 0.215 153 P C 1.924 179.185 177.300 -0.065 0.000 1.157 153 P CA 1.413 64.449 63.100 -0.108 0.000 0.868 153 P CB -0.135 31.499 31.700 -0.110 0.000 0.788 154 V N -0.946 118.881 119.914 -0.146 0.000 2.332 154 V HA -0.240 3.879 4.120 -0.002 0.000 0.248 154 V C 2.326 178.573 176.094 0.256 0.000 1.055 154 V CA 1.817 64.120 62.300 0.005 0.000 1.038 154 V CB -1.559 30.183 31.823 -0.134 0.000 0.651 154 V HN -0.054 nan 8.190 nan 0.000 0.450 155 F N 0.981 120.932 119.950 0.002 0.000 2.206 155 F HA 0.077 4.603 4.527 -0.002 0.000 0.298 155 F C 2.504 178.343 175.800 0.066 0.000 1.090 155 F CA 0.498 58.520 58.000 0.038 0.000 1.323 155 F CB -1.685 37.337 39.000 0.038 0.000 1.028 155 F HN 0.147 nan 8.300 nan 0.000 0.492 156 A N -0.337 122.619 122.820 0.227 0.000 1.933 156 A HA -0.150 4.168 4.320 -0.002 0.000 0.218 156 A C 2.498 180.152 177.584 0.117 0.000 1.175 156 A CA 1.977 54.102 52.037 0.146 0.000 0.628 156 A CB -1.000 18.040 19.000 0.066 0.000 0.814 156 A HN 0.313 nan 8.150 nan 0.000 0.444 157 S N -0.752 115.008 115.700 0.100 0.000 2.338 157 S HA -0.142 4.327 4.470 -0.002 0.000 0.218 157 S C 1.965 176.610 174.600 0.075 0.000 1.032 157 S CA 1.418 59.660 58.200 0.069 0.000 0.999 157 S CB -0.386 62.847 63.200 0.055 0.000 0.905 157 S HN 0.655 nan 8.310 nan 0.000 0.439 158 E N 1.564 121.817 120.200 0.088 0.000 2.172 158 E HA -0.228 4.120 4.350 -0.002 0.000 0.213 158 E C 1.689 178.250 176.600 -0.065 0.000 1.051 158 E CA 1.660 58.077 56.400 0.027 0.000 0.860 158 E CB -0.580 29.150 29.700 0.050 0.000 0.755 158 E HN 0.563 nan 8.360 nan 0.000 0.462 159 I N -0.419 120.202 120.570 0.086 0.000 2.133 159 I HA -0.235 3.934 4.170 -0.002 0.000 0.238 159 I C 2.035 178.215 176.117 0.105 0.000 1.074 159 I CA 1.297 62.712 61.300 0.190 0.000 1.342 159 I CB -0.233 37.985 38.000 0.363 0.000 1.053 159 I HN 0.161 nan 8.210 nan 0.000 0.404 160 L N 0.691 121.973 121.223 0.097 0.000 2.349 160 L HA -0.192 4.147 4.340 -0.002 0.000 0.220 160 L C 2.586 179.491 176.870 0.058 0.000 1.130 160 L CA 0.769 55.647 54.840 0.064 0.000 0.791 160 L CB -0.634 41.450 42.059 0.042 0.000 0.918 160 L HN 0.275 nan 8.230 nan 0.000 0.444 161 S N -1.897 113.849 115.700 0.077 0.000 2.423 161 S HA -0.086 4.382 4.470 -0.002 0.000 0.231 161 S C 0.475 175.111 174.600 0.060 0.000 1.014 161 S CA 0.627 58.868 58.200 0.069 0.000 0.965 161 S CB -0.262 62.971 63.200 0.054 0.000 0.785 161 S HN 0.410 nan 8.310 nan 0.000 0.495 162 H N 1.185 120.161 119.070 -0.156 0.000 2.604 162 H HA 0.336 4.891 4.556 -0.002 0.000 0.306 162 H C 0.932 176.232 175.328 -0.047 0.000 1.075 162 H CA -0.271 55.707 56.048 -0.117 0.000 1.357 162 H CB 0.821 30.505 29.762 -0.130 0.000 1.426 162 H HN -0.024 nan 8.280 nan 0.000 0.470 163 K N 2.250 122.666 120.400 0.026 0.000 2.361 163 K HA -0.067 4.251 4.320 -0.002 0.000 0.196 163 K C 1.009 177.627 176.600 0.029 0.000 1.039 163 K CA 0.443 56.739 56.287 0.014 0.000 1.001 163 K CB 0.421 32.913 32.500 -0.014 0.000 0.795 163 K HN 0.593 nan 8.250 nan 0.000 0.495 164 D N 1.911 122.343 120.400 0.054 0.000 2.182 164 D HA -0.131 4.508 4.640 -0.002 0.000 0.201 164 D C 0.231 176.594 176.300 0.106 0.000 0.986 164 D CA 0.421 54.469 54.000 0.081 0.000 0.847 164 D CB 0.069 40.932 40.800 0.105 0.000 0.942 164 D HN 0.155 nan 8.370 nan 0.000 0.467 165 R N 0.919 121.491 120.500 0.120 0.000 2.503 165 R HA -0.161 4.178 4.340 -0.002 0.000 0.271 165 R C 0.510 176.776 176.300 -0.056 0.000 0.960 165 R CA 0.817 56.904 56.100 -0.021 0.000 1.104 165 R CB -0.200 29.970 30.300 -0.216 0.000 0.879 165 R HN 0.186 nan 8.270 nan 0.000 0.420 166 N N 2.356 121.007 118.700 -0.082 0.000 2.279 166 N HA 0.032 4.771 4.740 -0.002 0.000 0.226 166 N C -0.994 174.681 175.510 0.275 0.000 1.126 166 N CA -0.282 52.834 53.050 0.110 0.000 0.846 166 N CB -0.017 38.586 38.487 0.193 0.000 1.050 166 N HN 0.600 nan 8.380 nan 0.000 0.502 167 F N -2.376 117.579 119.950 0.009 0.000 2.900 167 F HA 0.483 5.008 4.527 -0.002 0.000 0.321 167 F C -1.702 174.125 175.800 0.046 0.000 1.160 167 F CA -1.349 56.616 58.000 -0.058 0.000 0.890 167 F CB 0.419 39.319 39.000 -0.167 0.000 1.334 167 F HN -0.297 nan 8.300 nan 0.000 0.459 168 N N 1.228 120.086 118.700 0.264 0.000 2.296 168 N HA 0.567 5.305 4.740 -0.002 0.000 0.294 168 N C -2.067 173.672 175.510 0.381 0.000 1.033 168 N CA -0.492 52.685 53.050 0.211 0.000 0.839 168 N CB 2.855 41.399 38.487 0.094 0.000 1.395 168 N HN 0.814 nan 8.380 nan 0.000 0.479 169 L N 2.118 123.498 121.223 0.262 0.000 2.282 169 L HA 0.442 4.781 4.340 -0.002 0.000 0.288 169 L C 0.930 177.764 176.870 -0.060 0.000 1.033 169 L CA 0.110 55.042 54.840 0.153 0.000 0.807 169 L CB 1.221 43.372 42.059 0.154 0.000 1.209 169 L HN 0.536 nan 8.230 nan 0.000 0.423 170 T N 0.907 115.325 114.554 -0.228 0.000 3.033 170 T HA 0.232 4.580 4.350 -0.002 0.000 0.248 170 T C 0.445 174.838 174.700 -0.513 0.000 1.040 170 T CA 0.561 62.413 62.100 -0.412 0.000 1.133 170 T CB -0.058 68.516 68.868 -0.490 0.000 0.895 170 T HN 0.721 nan 8.240 nan 0.000 0.465 171 S N 0.556 116.026 115.700 -0.383 0.000 2.636 171 S HA 0.623 5.091 4.470 -0.002 0.000 0.268 171 S C -1.790 172.896 174.600 0.144 0.000 1.159 171 S CA -0.755 57.445 58.200 0.001 0.000 0.815 171 S CB 1.548 64.978 63.200 0.382 0.000 1.130 171 S HN 0.578 nan 8.310 nan 0.000 0.471 172 V N -0.538 119.499 119.914 0.206 0.000 2.638 172 V HA 0.853 4.971 4.120 -0.002 0.000 0.306 172 V C -1.305 174.788 176.094 -0.002 0.000 1.052 172 V CA -0.774 61.582 62.300 0.094 0.000 0.885 172 V CB 0.904 32.755 31.823 0.047 0.000 0.999 172 V HN 0.862 nan 8.190 nan 0.000 0.424 173 L N 5.421 126.646 121.223 0.005 0.000 2.333 173 L HA 0.664 5.003 4.340 -0.002 0.000 0.280 173 L C -0.492 176.433 176.870 0.091 0.000 1.004 173 L CA -0.157 54.681 54.840 -0.003 0.000 0.820 173 L CB 1.797 43.860 42.059 0.007 0.000 1.247 173 L HN 0.624 nan 8.230 nan 0.000 0.416 174 I N 2.634 123.243 120.570 0.064 0.000 2.439 174 I HA 0.473 4.642 4.170 -0.002 0.000 0.283 174 I C 0.239 176.042 176.117 -0.524 0.000 1.023 174 I CA -0.288 60.943 61.300 -0.115 0.000 1.100 174 I CB 1.755 39.718 38.000 -0.062 0.000 1.238 174 I HN 0.661 nan 8.210 nan 0.000 0.445 175 G N 3.314 111.665 108.800 -0.748 0.000 2.368 175 G HA2 0.318 4.277 3.960 -0.002 0.000 0.320 175 G HA3 0.318 4.277 3.960 -0.002 0.000 0.320 175 G C -0.045 174.501 174.900 -0.590 0.000 1.158 175 G CA -0.510 43.785 45.100 -1.341 0.000 0.912 175 G HN 0.793 nan 8.290 nan 0.000 0.456 176 N N -0.009 118.424 118.700 -0.445 0.000 2.699 176 N HA -0.157 4.581 4.740 -0.002 0.000 0.256 176 N C 0.679 176.090 175.510 -0.165 0.000 0.993 176 N CA 1.013 53.930 53.050 -0.223 0.000 0.759 176 N CB -0.420 37.917 38.487 -0.251 0.000 0.906 176 N HN 0.850 nan 8.380 nan 0.000 0.541 177 G N -0.624 108.102 108.800 -0.124 0.000 2.471 177 G HA2 0.644 4.603 3.960 -0.002 0.000 0.332 177 G HA3 0.644 4.603 3.960 -0.002 0.000 0.332 177 G C -0.749 174.110 174.900 -0.069 0.000 1.176 177 G CA -0.688 44.345 45.100 -0.112 0.000 0.949 177 G HN 0.175 nan 8.290 nan 0.000 0.488 178 L N 0.987 122.122 121.223 -0.146 0.000 2.260 178 L HA 0.520 4.859 4.340 -0.002 0.000 0.289 178 L C 0.958 177.728 176.870 -0.167 0.000 1.057 178 L CA 0.227 54.986 54.840 -0.136 0.000 0.811 178 L CB 1.046 42.955 42.059 -0.251 0.000 1.184 178 L HN 0.605 nan 8.230 nan 0.000 0.429 179 T N 1.356 115.711 114.554 -0.331 0.000 3.232 179 T HA 0.111 4.460 4.350 -0.002 0.000 0.259 179 T C -0.229 174.067 174.700 -0.673 0.000 0.987 179 T CA 0.326 62.069 62.100 -0.595 0.000 1.096 179 T CB 0.345 68.747 68.868 -0.776 0.000 1.131 179 T HN 0.561 nan 8.240 nan 0.000 0.445 180 D N 2.477 122.406 120.400 -0.784 0.000 2.502 180 D HA 0.320 4.959 4.640 -0.002 0.000 0.301 180 D C -2.054 174.102 176.300 -0.241 0.000 1.202 180 D CA -2.046 51.579 54.000 -0.625 0.000 0.878 180 D CB 1.296 41.577 40.800 -0.865 0.000 1.062 180 D HN -0.059 nan 8.370 nan 0.000 0.499 181 P HA -0.228 nan 4.420 nan 0.000 0.218 181 P C 1.612 178.978 177.300 0.110 0.000 1.154 181 P CA 0.538 63.753 63.100 0.192 0.000 0.872 181 P CB 0.183 31.992 31.700 0.182 0.000 0.790 182 L N -1.222 119.933 121.223 -0.114 0.000 2.079 182 L HA -0.138 4.201 4.340 -0.002 0.000 0.210 182 L C 2.076 178.920 176.870 -0.044 0.000 1.081 182 L CA 2.244 56.950 54.840 -0.222 0.000 0.752 182 L CB -1.512 40.307 42.059 -0.400 0.000 0.896 182 L HN -0.046 nan 8.230 nan 0.000 0.433 183 T N -1.395 113.162 114.554 0.005 0.000 2.953 183 T HA -0.059 4.289 4.350 -0.002 0.000 0.247 183 T C 1.714 176.492 174.700 0.129 0.000 1.029 183 T CA 0.923 63.071 62.100 0.080 0.000 1.144 183 T CB 0.063 69.009 68.868 0.130 0.000 0.870 183 T HN 0.446 nan 8.240 nan 0.000 0.446 184 Q N 0.011 119.884 119.800 0.122 0.000 2.181 184 Q HA -0.137 4.201 4.340 -0.002 0.000 0.205 184 Q C 1.773 177.668 176.000 -0.177 0.000 0.980 184 Q CA 1.402 57.242 55.803 0.060 0.000 0.862 184 Q CB -0.391 28.342 28.738 -0.008 0.000 0.905 184 Q HN 0.565 nan 8.270 nan 0.000 0.429 185 Y N 2.242 122.481 120.300 -0.103 0.000 2.256 185 Y HA -0.207 4.341 4.550 -0.002 0.000 0.288 185 Y C 1.970 177.793 175.900 -0.129 0.000 1.155 185 Y CA 1.521 59.611 58.100 -0.017 0.000 1.203 185 Y CB -0.196 38.322 38.460 0.097 0.000 0.980 185 Y HN 0.333 nan 8.280 nan 0.000 0.530 186 N N -1.496 117.063 118.700 -0.235 0.000 2.494 186 N HA -0.157 4.581 4.740 -0.002 0.000 0.182 186 N C 0.495 175.614 175.510 -0.651 0.000 1.076 186 N CA 0.726 53.525 53.050 -0.417 0.000 0.908 186 N CB -0.499 37.645 38.487 -0.571 0.000 0.967 186 N HN 0.412 nan 8.380 nan 0.000 0.449 187 Y N 0.029 120.141 120.300 -0.313 0.000 2.519 187 Y HA 0.073 4.622 4.550 -0.002 0.000 0.311 187 Y C 1.237 176.876 175.900 -0.435 0.000 1.207 187 Y CA -0.079 57.790 58.100 -0.384 0.000 1.289 187 Y CB -0.469 37.739 38.460 -0.420 0.000 1.059 187 Y HN -0.005 nan 8.280 nan 0.000 0.507 188 Y N -0.070 120.167 120.300 -0.105 0.000 2.153 188 Y HA -0.164 4.385 4.550 -0.002 0.000 0.289 188 Y C 2.503 178.485 175.900 0.137 0.000 1.127 188 Y CA 1.168 59.236 58.100 -0.054 0.000 1.131 188 Y CB -0.447 37.949 38.460 -0.107 0.000 0.995 188 Y HN 0.104 nan 8.280 nan 0.000 0.505 189 E N 0.321 120.650 120.200 0.215 0.000 2.031 189 E HA -0.178 4.171 4.350 -0.002 0.000 0.193 189 E C -0.679 176.015 176.600 0.156 0.000 0.994 189 E CA 1.458 57.962 56.400 0.172 0.000 0.800 189 E CB -1.329 28.431 29.700 0.100 0.000 0.752 189 E HN 0.226 nan 8.360 nan 0.000 0.447 190 P HA -0.166 nan 4.420 nan 0.000 0.214 190 P C 1.690 179.079 177.300 0.149 0.000 1.163 190 P CA 1.621 64.793 63.100 0.121 0.000 0.889 190 P CB -0.324 31.455 31.700 0.132 0.000 0.790 191 M N -0.802 118.894 119.600 0.160 0.000 2.279 191 M HA -0.047 4.431 4.480 -0.002 0.000 0.264 191 M C 1.734 178.212 176.300 0.298 0.000 1.062 191 M CA 1.731 57.158 55.300 0.211 0.000 1.099 191 M CB -0.974 31.748 32.600 0.204 0.000 1.394 191 M HN -0.124 nan 8.290 nan 0.000 0.426 192 A N -2.056 120.956 122.820 0.320 0.000 2.115 192 A HA 0.073 4.392 4.320 -0.002 0.000 0.211 192 A C 1.607 179.293 177.584 0.170 0.000 1.169 192 A CA 0.551 52.748 52.037 0.267 0.000 0.787 192 A CB -0.636 18.510 19.000 0.242 0.000 0.858 192 A HN 0.590 nan 8.150 nan 0.000 0.474 193 c N 0.268 118.962 118.600 0.157 0.000 2.396 193 c HA 0.512 5.080 4.570 -0.002 0.000 0.334 193 c C 1.575 175.728 174.090 0.104 0.000 1.313 193 c CA -0.169 56.227 56.329 0.111 0.000 1.719 193 c CB -1.543 41.022 42.510 0.092 0.000 1.893 193 c HN 1.042 nan 8.230 nan 0.000 0.589 194 G N 1.957 110.830 108.800 0.121 0.000 2.291 194 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.271 194 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.271 194 G C -0.119 174.854 174.900 0.122 0.000 1.099 194 G CA 0.062 45.230 45.100 0.113 0.000 0.919 194 G HN 0.744 nan 8.290 nan 0.000 0.496 195 E N -0.822 119.468 120.200 0.149 0.000 3.191 195 E HA 0.437 4.786 4.350 -0.002 0.000 0.192 195 E C 1.065 177.795 176.600 0.217 0.000 0.972 195 E CA 0.110 56.603 56.400 0.155 0.000 1.266 195 E CB 1.049 30.825 29.700 0.126 0.000 1.076 195 E HN 0.772 nan 8.360 nan 0.000 0.462 196 G N 0.255 109.230 108.800 0.292 0.000 5.129 196 G HA2 0.456 4.414 3.960 -0.002 0.000 0.253 196 G HA3 0.456 4.414 3.960 -0.002 0.000 0.253 196 G C 0.487 175.675 174.900 0.481 0.000 0.912 196 G CA 0.224 45.646 45.100 0.537 0.000 0.729 196 G HN 0.409 nan 8.290 nan 0.000 0.373 197 G N 0.466 109.420 108.800 0.256 0.000 1.829 197 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.214 197 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.214 197 G C -0.033 174.935 174.900 0.112 0.000 1.627 197 G CA -0.081 45.093 45.100 0.124 0.000 1.390 197 G HN 0.446 nan 8.290 nan 0.000 0.458 198 E N 3.252 123.531 120.200 0.132 0.000 2.425 198 E HA 0.478 4.826 4.350 -0.002 0.000 0.258 198 E C -1.829 174.843 176.600 0.121 0.000 1.151 198 E CA -0.346 56.123 56.400 0.114 0.000 0.958 198 E CB 0.548 30.323 29.700 0.124 0.000 0.968 198 E HN 0.389 nan 8.360 nan 0.000 0.451 199 P HA 0.105 nan 4.420 nan 0.000 0.283 199 P C -0.878 176.471 177.300 0.080 0.000 1.271 199 P CA -0.652 62.496 63.100 0.081 0.000 0.841 199 P CB 1.139 32.872 31.700 0.055 0.000 1.122 200 S N 0.254 115.997 115.700 0.072 0.000 3.116 200 S HA -0.042 4.427 4.470 -0.002 0.000 0.367 200 S C 1.084 175.705 174.600 0.035 0.000 1.202 200 S CA 0.112 58.349 58.200 0.062 0.000 1.018 200 S CB -0.725 62.504 63.200 0.049 0.000 0.726 200 S HN 0.355 nan 8.310 nan 0.000 0.506 201 V N 3.662 123.593 119.914 0.029 0.000 3.528 201 V HA 0.539 4.658 4.120 -0.002 0.000 0.294 201 V C -0.037 176.015 176.094 -0.069 0.000 1.404 201 V CA -0.023 62.254 62.300 -0.038 0.000 1.065 201 V CB -0.100 31.660 31.823 -0.105 0.000 0.904 201 V HN 0.581 nan 8.190 nan 0.000 0.435 202 L N 1.924 123.131 121.223 -0.027 0.000 2.362 202 L HA 0.723 5.061 4.340 -0.002 0.000 0.275 202 L C -2.515 174.348 176.870 -0.010 0.000 0.998 202 L CA -1.763 53.057 54.840 -0.032 0.000 0.820 202 L CB 2.196 44.247 42.059 -0.014 0.000 1.270 202 L HN -0.044 nan 8.230 nan 0.000 0.415 203 P HA 0.059 nan 4.420 nan 0.000 0.261 203 P C 0.563 177.864 177.300 0.002 0.000 1.173 203 P CA 0.419 63.513 63.100 -0.010 0.000 0.760 203 P CB 0.571 32.261 31.700 -0.016 0.000 0.783 204 S N 2.598 118.303 115.700 0.009 0.000 2.441 204 S HA -0.269 4.200 4.470 -0.002 0.000 0.242 204 S C 1.776 176.385 174.600 0.015 0.000 1.018 204 S CA 1.605 59.815 58.200 0.017 0.000 0.988 204 S CB -0.745 62.466 63.200 0.018 0.000 0.778 204 S HN 0.594 nan 8.310 nan 0.000 0.498 205 E N 0.215 120.420 120.200 0.008 0.000 2.028 205 E HA -0.147 4.202 4.350 -0.002 0.000 0.191 205 E C 2.006 178.611 176.600 0.008 0.000 0.988 205 E CA 0.888 57.292 56.400 0.007 0.000 0.799 205 E CB -0.033 29.667 29.700 0.000 0.000 0.755 205 E HN 0.682 nan 8.360 nan 0.000 0.447 206 E N 0.094 120.296 120.200 0.004 0.000 2.058 206 E HA -0.231 4.118 4.350 -0.002 0.000 0.194 206 E C 2.326 178.938 176.600 0.021 0.000 0.997 206 E CA 1.348 57.751 56.400 0.004 0.000 0.801 206 E CB -0.251 29.445 29.700 -0.007 0.000 0.746 206 E HN 0.407 nan 8.360 nan 0.000 0.450 207 c N 0.236 118.853 118.600 0.028 0.000 2.393 207 c HA -0.156 4.413 4.570 -0.002 0.000 0.276 207 c C 3.060 177.174 174.090 0.041 0.000 1.215 207 c CA 1.070 57.425 56.329 0.044 0.000 1.743 207 c CB -1.159 41.380 42.510 0.047 0.000 2.044 207 c HN 0.419 nan 8.230 nan 0.000 0.464 208 S N 0.074 115.792 115.700 0.031 0.000 2.419 208 S HA -0.122 4.347 4.470 -0.002 0.000 0.235 208 S C 1.983 176.601 174.600 0.029 0.000 1.019 208 S CA 1.295 59.512 58.200 0.029 0.000 0.982 208 S CB -0.310 62.904 63.200 0.022 0.000 0.789 208 S HN 0.646 nan 8.310 nan 0.000 0.490 209 A N 1.243 124.078 122.820 0.026 0.000 1.898 209 A HA -0.038 4.281 4.320 -0.002 0.000 0.216 209 A C 2.157 179.759 177.584 0.031 0.000 1.181 209 A CA 1.467 53.518 52.037 0.023 0.000 0.620 209 A CB -0.533 18.474 19.000 0.011 0.000 0.819 209 A HN 0.601 nan 8.150 nan 0.000 0.442 210 M N -0.991 118.634 119.600 0.042 0.000 2.086 210 M HA -0.163 4.316 4.480 -0.002 0.000 0.261 210 M C 2.015 178.352 176.300 0.062 0.000 1.067 210 M CA 1.712 57.047 55.300 0.059 0.000 1.116 210 M CB -0.630 32.022 32.600 0.088 0.000 1.348 210 M HN 0.446 nan 8.290 nan 0.000 0.407 211 E N 0.524 120.755 120.200 0.051 0.000 2.209 211 E HA -0.193 4.155 4.350 -0.002 0.000 0.196 211 E C 1.471 178.096 176.600 0.042 0.000 0.993 211 E CA 1.028 57.453 56.400 0.041 0.000 0.819 211 E CB -0.008 29.711 29.700 0.032 0.000 0.745 211 E HN 0.475 nan 8.360 nan 0.000 0.477 212 D N 0.062 120.489 120.400 0.045 0.000 2.110 212 D HA -0.084 4.555 4.640 -0.002 0.000 0.202 212 D C 2.099 178.443 176.300 0.073 0.000 0.975 212 D CA 1.331 55.359 54.000 0.048 0.000 0.839 212 D CB -0.523 40.302 40.800 0.041 0.000 0.996 212 D HN 0.145 nan 8.370 nan 0.000 0.464 213 S N 0.536 116.289 115.700 0.087 0.000 2.571 213 S HA -0.083 4.386 4.470 -0.002 0.000 0.245 213 S C 1.799 176.511 174.600 0.186 0.000 0.976 213 S CA 0.558 58.843 58.200 0.142 0.000 0.954 213 S CB -0.409 62.825 63.200 0.056 0.000 0.756 213 S HN 0.077 nan 8.310 nan 0.000 0.535 214 L N 0.479 121.773 121.223 0.120 0.000 2.084 214 L HA 0.113 4.452 4.340 -0.002 0.000 0.202 214 L C 2.048 178.964 176.870 0.076 0.000 1.074 214 L CA 1.794 56.698 54.840 0.108 0.000 0.757 214 L CB -0.699 41.406 42.059 0.078 0.000 0.918 214 L HN 0.412 nan 8.230 nan 0.000 0.444 215 E N -0.271 119.953 120.200 0.041 0.000 2.068 215 E HA -0.386 3.962 4.350 -0.002 0.000 0.207 215 E C 2.356 178.942 176.600 -0.024 0.000 1.032 215 E CA 2.068 58.470 56.400 0.004 0.000 0.839 215 E CB -0.186 29.514 29.700 0.000 0.000 0.758 215 E HN 0.382 nan 8.360 nan 0.000 0.457 216 R N 0.577 121.059 120.500 -0.030 0.000 2.096 216 R HA -0.210 4.129 4.340 -0.002 0.000 0.240 216 R C 2.578 178.759 176.300 -0.199 0.000 1.139 216 R CA 2.037 58.044 56.100 -0.155 0.000 0.952 216 R CB -1.123 29.032 30.300 -0.242 0.000 0.854 216 R HN 0.405 nan 8.270 nan 0.000 0.436 217 c N -0.002 118.606 118.600 0.015 0.000 2.413 217 c HA -0.042 4.526 4.570 -0.002 0.000 0.277 217 c C 2.427 176.485 174.090 -0.054 0.000 1.265 217 c CA 0.885 57.267 56.329 0.089 0.000 1.752 217 c CB -1.126 41.560 42.510 0.294 0.000 1.998 217 c HN 0.647 nan 8.230 nan 0.000 0.489 218 L N 0.836 122.028 121.223 -0.052 0.000 2.072 218 L HA 0.079 4.418 4.340 -0.002 0.000 0.205 218 L C 2.958 179.748 176.870 -0.135 0.000 1.079 218 L CA 1.613 56.394 54.840 -0.099 0.000 0.752 218 L CB -1.261 40.762 42.059 -0.061 0.000 0.906 218 L HN 0.555 nan 8.230 nan 0.000 0.436 219 G N 0.063 108.794 108.800 -0.115 0.000 2.470 219 G HA2 -0.175 3.783 3.960 -0.002 0.000 0.220 219 G HA3 -0.175 3.783 3.960 -0.002 0.000 0.220 219 G C 1.639 176.462 174.900 -0.128 0.000 1.121 219 G CA 0.375 45.409 45.100 -0.109 0.000 0.766 219 G HN 0.212 nan 8.290 nan 0.000 0.553 220 L N -0.296 120.833 121.223 -0.157 0.000 2.044 220 L HA 0.062 4.401 4.340 -0.002 0.000 0.205 220 L C 2.748 179.512 176.870 -0.177 0.000 1.075 220 L CA 0.501 55.248 54.840 -0.155 0.000 0.747 220 L CB -0.331 41.626 42.059 -0.170 0.000 0.903 220 L HN 0.139 nan 8.230 nan 0.000 0.435 221 I N 0.008 120.427 120.570 -0.252 0.000 2.163 221 I HA -0.313 3.856 4.170 -0.002 0.000 0.243 221 I C 2.465 178.285 176.117 -0.495 0.000 1.085 221 I CA 1.439 62.487 61.300 -0.419 0.000 1.347 221 I CB -0.281 37.388 38.000 -0.553 0.000 1.044 221 I HN 0.232 nan 8.210 nan 0.000 0.408 222 E N 0.052 120.054 120.200 -0.331 0.000 2.033 222 E HA -0.286 4.063 4.350 -0.002 0.000 0.199 222 E C 2.337 178.916 176.600 -0.035 0.000 1.011 222 E CA 1.936 58.240 56.400 -0.160 0.000 0.815 222 E CB -0.231 29.419 29.700 -0.083 0.000 0.755 222 E HN 0.321 nan 8.360 nan 0.000 0.451 223 S N -0.192 115.478 115.700 -0.049 0.000 2.365 223 S HA -0.261 4.208 4.470 -0.002 0.000 0.225 223 S C 2.206 176.816 174.600 0.017 0.000 1.039 223 S CA 1.435 59.628 58.200 -0.011 0.000 1.033 223 S CB -0.569 62.614 63.200 -0.029 0.000 0.887 223 S HN 0.565 nan 8.310 nan 0.000 0.447 224 c N 0.654 119.248 118.600 -0.009 0.000 2.429 224 c HA -0.057 4.511 4.570 -0.002 0.000 0.277 224 c C 2.291 176.475 174.090 0.156 0.000 1.262 224 c CA 0.873 57.227 56.329 0.042 0.000 1.733 224 c CB -1.908 40.609 42.510 0.013 0.000 2.010 224 c HN 0.705 nan 8.230 nan 0.000 0.483 225 Y N 2.350 122.618 120.300 -0.052 0.000 2.097 225 Y HA -0.146 4.403 4.550 -0.002 0.000 0.282 225 Y C 2.286 178.158 175.900 -0.047 0.000 1.152 225 Y CA 2.439 60.509 58.100 -0.050 0.000 1.136 225 Y CB -1.184 37.263 38.460 -0.022 0.000 0.975 225 Y HN 0.641 nan 8.280 nan 0.000 0.498 226 D N -1.748 118.747 120.400 0.158 0.000 2.194 226 D HA -0.083 4.555 4.640 -0.002 0.000 0.204 226 D C 1.985 178.304 176.300 0.032 0.000 0.964 226 D CA 1.241 55.280 54.000 0.065 0.000 0.846 226 D CB -0.610 40.222 40.800 0.053 0.000 0.962 226 D HN 0.281 nan 8.370 nan 0.000 0.490 227 S N -0.461 115.262 115.700 0.039 0.000 2.398 227 S HA -0.083 4.386 4.470 -0.002 0.000 0.220 227 S C 1.127 175.732 174.600 0.009 0.000 1.046 227 S CA 0.466 58.681 58.200 0.026 0.000 0.953 227 S CB -0.409 62.814 63.200 0.038 0.000 0.856 227 S HN 0.278 nan 8.310 nan 0.000 0.506 228 Q N 0.051 119.855 119.800 0.007 0.000 2.493 228 Q HA -0.130 4.209 4.340 -0.002 0.000 0.260 228 Q C -0.168 175.810 176.000 -0.037 0.000 0.873 228 Q CA 0.652 56.441 55.803 -0.022 0.000 1.150 228 Q CB -2.380 26.326 28.738 -0.053 0.000 1.393 228 Q HN 0.524 nan 8.270 nan 0.000 0.607 229 S N -0.741 114.941 115.700 -0.031 0.000 2.632 229 S HA 0.404 4.873 4.470 -0.002 0.000 0.271 229 S C 1.394 175.882 174.600 -0.186 0.000 1.260 229 S CA -0.125 58.026 58.200 -0.081 0.000 1.010 229 S CB 1.697 64.907 63.200 0.017 0.000 0.965 229 S HN 0.218 nan 8.310 nan 0.000 0.534 230 V N 2.892 122.552 119.914 -0.423 0.000 2.307 230 V HA -0.150 3.969 4.120 -0.002 0.000 0.245 230 V C 1.639 177.468 176.094 -0.441 0.000 1.045 230 V CA 1.728 63.721 62.300 -0.511 0.000 1.024 230 V CB -1.032 30.285 31.823 -0.843 0.000 0.651 230 V HN 1.011 nan 8.190 nan 0.000 0.449 231 W N 0.843 122.155 121.300 0.020 0.000 2.316 231 W HA -0.245 4.414 4.660 -0.002 0.000 0.279 231 W C 2.508 179.027 176.519 -0.001 0.000 1.208 231 W CA 1.162 58.513 57.345 0.010 0.000 1.182 231 W CB -0.586 28.876 29.460 0.003 0.000 1.134 231 W HN 0.397 nan 8.180 nan 0.000 0.560 232 S N -1.969 113.787 115.700 0.094 0.000 2.665 232 S HA 0.029 4.498 4.470 -0.002 0.000 0.240 232 S C 1.412 176.012 174.600 -0.001 0.000 1.081 232 S CA 0.752 58.981 58.200 0.050 0.000 0.887 232 S CB -0.643 62.579 63.200 0.037 0.000 0.805 232 S HN 0.176 nan 8.310 nan 0.000 0.486 233 c N 1.146 119.735 118.600 -0.019 0.000 2.435 233 c HA 0.047 4.616 4.570 -0.002 0.000 0.279 233 c C 2.588 176.655 174.090 -0.038 0.000 1.321 233 c CA 0.710 57.027 56.329 -0.020 0.000 1.752 233 c CB -0.863 41.644 42.510 -0.005 0.000 1.959 233 c HN 0.506 nan 8.230 nan 0.000 0.500 234 V N 1.991 121.878 119.914 -0.046 0.000 2.307 234 V HA -0.112 4.007 4.120 -0.002 0.000 0.245 234 V C -0.170 175.896 176.094 -0.048 0.000 1.045 234 V CA 2.166 64.431 62.300 -0.057 0.000 1.024 234 V CB -1.605 30.199 31.823 -0.031 0.000 0.651 234 V HN 0.351 nan 8.190 nan 0.000 0.449 235 P HA -0.038 nan 4.420 nan 0.000 0.223 235 P C 1.508 178.807 177.300 -0.001 0.000 1.151 235 P CA 1.614 64.726 63.100 0.020 0.000 0.787 235 P CB -0.072 31.650 31.700 0.036 0.000 0.788 236 A N -0.673 122.123 122.820 -0.040 0.000 2.015 236 A HA -0.108 4.210 4.320 -0.002 0.000 0.219 236 A C 2.179 179.704 177.584 -0.099 0.000 1.163 236 A CA 1.927 53.923 52.037 -0.068 0.000 0.646 236 A CB -1.605 17.334 19.000 -0.103 0.000 0.806 236 A HN 0.143 nan 8.150 nan 0.000 0.448 237 T N 0.258 114.728 114.554 -0.141 0.000 2.706 237 T HA -0.020 4.329 4.350 -0.002 0.000 0.255 237 T C 1.824 176.366 174.700 -0.263 0.000 1.048 237 T CA 1.411 63.347 62.100 -0.273 0.000 1.153 237 T CB -0.381 68.238 68.868 -0.415 0.000 0.865 237 T HN 0.408 nan 8.240 nan 0.000 0.414 238 I N 0.118 120.564 120.570 -0.207 0.000 2.208 238 I HA -0.219 3.950 4.170 -0.002 0.000 0.245 238 I C 2.275 178.340 176.117 -0.086 0.000 1.097 238 I CA 1.655 62.861 61.300 -0.157 0.000 1.363 238 I CB -0.437 37.508 38.000 -0.092 0.000 1.051 238 I HN 0.241 nan 8.210 nan 0.000 0.413 239 Y N 1.106 121.339 120.300 -0.112 0.000 2.089 239 Y HA -0.307 4.242 4.550 -0.002 0.000 0.282 239 Y C 2.775 178.634 175.900 -0.069 0.000 1.139 239 Y CA 1.775 59.829 58.100 -0.077 0.000 1.123 239 Y CB -0.528 37.892 38.460 -0.066 0.000 0.980 239 Y HN 0.176 nan 8.280 nan 0.000 0.493 240 c N 0.810 119.447 118.600 0.062 0.000 2.429 240 c HA -0.187 4.382 4.570 -0.002 0.000 0.277 240 c C 2.421 176.519 174.090 0.013 0.000 1.262 240 c CA 1.559 57.902 56.329 0.023 0.000 1.733 240 c CB -1.596 40.827 42.510 -0.146 0.000 2.010 240 c HN 0.627 nan 8.230 nan 0.000 0.483 241 N N 0.668 119.343 118.700 -0.041 0.000 2.453 241 N HA -0.126 4.612 4.740 -0.002 0.000 0.183 241 N C 1.685 177.137 175.510 -0.098 0.000 1.041 241 N CA 0.390 53.416 53.050 -0.040 0.000 0.900 241 N CB -0.234 38.164 38.487 -0.149 0.000 0.961 241 N HN 0.645 nan 8.380 nan 0.000 0.443 242 N N 1.441 120.045 118.700 -0.160 0.000 2.176 242 N HA -0.046 4.692 4.740 -0.002 0.000 0.187 242 N C 1.813 177.212 175.510 -0.186 0.000 1.043 242 N CA 0.848 53.786 53.050 -0.187 0.000 0.851 242 N CB -0.011 38.322 38.487 -0.256 0.000 1.018 242 N HN 0.060 nan 8.380 nan 0.000 0.436 243 A N 0.380 123.023 122.820 -0.295 0.000 1.978 243 A HA -0.170 4.148 4.320 -0.002 0.000 0.220 243 A C 2.015 179.556 177.584 -0.072 0.000 1.170 243 A CA 1.595 53.492 52.037 -0.232 0.000 0.636 243 A CB -0.368 18.435 19.000 -0.328 0.000 0.810 243 A HN 0.468 nan 8.150 nan 0.000 0.448 244 Q N -1.898 117.880 119.800 -0.036 0.000 2.316 244 Q HA 0.392 4.730 4.340 -0.002 0.000 0.235 244 Q C 1.554 177.527 176.000 -0.045 0.000 0.863 244 Q CA 0.270 56.076 55.803 0.005 0.000 0.939 244 Q CB 0.375 29.140 28.738 0.044 0.000 1.108 244 Q HN 0.629 nan 8.270 nan 0.000 0.522 245 L N -1.417 119.764 121.223 -0.069 0.000 2.500 245 L HA 0.361 4.700 4.340 -0.002 0.000 0.219 245 L C 1.996 178.905 176.870 0.065 0.000 1.057 245 L CA 0.660 55.494 54.840 -0.010 0.000 0.854 245 L CB -0.155 41.854 42.059 -0.082 0.000 1.078 245 L HN 0.081 nan 8.230 nan 0.000 0.480 246 A N 1.017 123.840 122.820 0.005 0.000 1.930 246 A HA -0.023 4.296 4.320 -0.002 0.000 0.217 246 A C -0.244 177.338 177.584 -0.002 0.000 1.175 246 A CA 1.312 53.348 52.037 -0.003 0.000 0.627 246 A CB -1.521 17.456 19.000 -0.038 0.000 0.815 246 A HN 0.232 nan 8.150 nan 0.000 0.443 247 P HA -0.189 nan 4.420 nan 0.000 0.215 247 P C 1.472 178.744 177.300 -0.047 0.000 1.153 247 P CA 1.256 64.344 63.100 -0.019 0.000 0.853 247 P CB -0.228 31.471 31.700 -0.002 0.000 0.788 248 Y N 1.051 121.232 120.300 -0.198 0.000 2.145 248 Y HA -0.226 4.323 4.550 -0.002 0.000 0.286 248 Y C 2.422 178.171 175.900 -0.250 0.000 1.145 248 Y CA 1.751 59.634 58.100 -0.361 0.000 1.148 248 Y CB -1.030 36.881 38.460 -0.915 0.000 0.981 248 Y HN -0.056 nan 8.280 nan 0.000 0.507 249 Q N 0.056 119.878 119.800 0.037 0.000 2.152 249 Q HA -0.251 4.087 4.340 -0.002 0.000 0.206 249 Q C 2.226 178.169 176.000 -0.095 0.000 0.985 249 Q CA 2.091 57.889 55.803 -0.009 0.000 0.863 249 Q CB -0.187 28.567 28.738 0.028 0.000 0.904 249 Q HN 0.599 nan 8.270 nan 0.000 0.422 250 R N 0.151 120.593 120.500 -0.096 0.000 2.094 250 R HA -0.161 4.178 4.340 -0.002 0.000 0.239 250 R C 2.557 178.774 176.300 -0.139 0.000 1.137 250 R CA 1.908 57.949 56.100 -0.099 0.000 0.943 250 R CB -1.634 28.619 30.300 -0.078 0.000 0.850 250 R HN 0.348 nan 8.270 nan 0.000 0.433 251 T N -0.879 113.549 114.554 -0.209 0.000 2.802 251 T HA -0.118 4.230 4.350 -0.002 0.000 0.269 251 T C 1.394 175.954 174.700 -0.233 0.000 1.062 251 T CA 1.402 63.355 62.100 -0.246 0.000 1.133 251 T CB -0.680 67.968 68.868 -0.365 0.000 0.852 251 T HN 0.658 nan 8.240 nan 0.000 0.485 252 G N 1.221 109.877 108.800 -0.240 0.000 2.326 252 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.286 252 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.286 252 G C -0.186 174.593 174.900 -0.202 0.000 1.096 252 G CA 0.023 45.017 45.100 -0.176 0.000 1.003 252 G HN 0.780 nan 8.290 nan 0.000 0.503 253 R N -0.432 119.880 120.500 -0.312 0.000 2.720 253 R HA 0.600 4.939 4.340 -0.002 0.000 0.272 253 R C 0.458 176.715 176.300 -0.072 0.000 0.991 253 R CA -1.850 54.094 56.100 -0.260 0.000 1.010 253 R CB 0.542 30.470 30.300 -0.620 0.000 1.141 253 R HN 0.322 nan 8.270 nan 0.000 0.494 254 N N 0.216 118.927 118.700 0.018 0.000 2.479 254 N HA -0.036 4.703 4.740 -0.002 0.000 0.257 254 N C 0.523 176.107 175.510 0.124 0.000 1.232 254 N CA 0.265 53.341 53.050 0.042 0.000 0.920 254 N CB 0.825 39.328 38.487 0.026 0.000 1.105 254 N HN 0.296 nan 8.380 nan 0.000 0.444 255 V N 2.884 122.704 119.914 -0.156 0.000 2.951 255 V HA -0.075 4.043 4.120 -0.002 0.000 0.255 255 V C 0.268 176.153 176.094 -0.348 0.000 1.088 255 V CA 1.178 63.311 62.300 -0.279 0.000 1.109 255 V CB -0.828 30.790 31.823 -0.342 0.000 0.724 255 V HN 0.683 nan 8.190 nan 0.000 0.471 256 Y N -0.817 119.615 120.300 0.220 0.000 2.524 256 Y HA 0.448 4.996 4.550 -0.002 0.000 0.266 256 Y C 0.396 176.502 175.900 0.344 0.000 1.180 256 Y CA -0.821 57.450 58.100 0.283 0.000 1.244 256 Y CB 0.403 39.102 38.460 0.398 0.000 1.125 256 Y HN 0.144 nan 8.280 nan 0.000 0.524 257 D N -0.101 120.525 120.400 0.377 0.000 2.229 257 D HA 0.045 4.684 4.640 -0.002 0.000 0.209 257 D C 0.495 176.965 176.300 0.282 0.000 1.295 257 D CA -0.035 54.175 54.000 0.350 0.000 0.913 257 D CB 0.162 41.203 40.800 0.401 0.000 1.581 257 D HN 0.202 nan 8.370 nan 0.000 0.502 258 I N 2.620 123.369 120.570 0.297 0.000 2.315 258 I HA -0.276 3.892 4.170 -0.002 0.000 0.251 258 I C 2.048 178.276 176.117 0.185 0.000 1.125 258 I CA 1.189 62.667 61.300 0.297 0.000 1.392 258 I CB 0.293 38.488 38.000 0.324 0.000 1.065 258 I HN 0.297 nan 8.210 nan 0.000 0.424 259 R N 0.338 120.937 120.500 0.165 0.000 2.075 259 R HA -0.099 4.240 4.340 -0.002 0.000 0.232 259 R C 0.899 177.253 176.300 0.090 0.000 1.126 259 R CA 0.831 57.000 56.100 0.115 0.000 0.963 259 R CB -0.246 30.124 30.300 0.117 0.000 0.858 259 R HN 0.127 nan 8.270 nan 0.000 0.435 260 K N 1.460 121.924 120.400 0.107 0.000 2.144 260 K HA 0.032 4.350 4.320 -0.002 0.000 0.270 260 K C -0.773 175.844 176.600 0.028 0.000 1.005 260 K CA -0.346 55.983 56.287 0.069 0.000 0.932 260 K CB 0.840 33.390 32.500 0.083 0.000 1.021 260 K HN 0.036 nan 8.250 nan 0.000 0.462 261 D N 0.308 120.705 120.400 -0.006 0.000 2.269 261 D HA 0.441 5.080 4.640 -0.002 0.000 0.244 261 D C -1.041 175.226 176.300 -0.054 0.000 0.992 261 D CA -0.795 53.183 54.000 -0.036 0.000 0.894 261 D CB 1.536 42.308 40.800 -0.046 0.000 1.248 261 D HN 0.462 nan 8.370 nan 0.000 0.468 262 c N 1.476 120.037 118.600 -0.064 0.000 2.817 262 c HA 0.467 5.036 4.570 -0.002 0.000 0.385 262 c C -0.924 173.130 174.090 -0.060 0.000 1.050 262 c CA -0.489 55.802 56.329 -0.064 0.000 1.245 262 c CB -0.084 42.381 42.510 -0.075 0.000 1.706 262 c HN 0.689 nan 8.230 nan 0.000 0.488 263 E N 2.315 122.484 120.200 -0.051 0.000 2.349 263 E HA 0.518 4.867 4.350 -0.002 0.000 0.262 263 E C 0.832 177.410 176.600 -0.037 0.000 1.088 263 E CA 0.489 56.859 56.400 -0.050 0.000 0.899 263 E CB 0.924 30.599 29.700 -0.042 0.000 1.044 263 E HN 0.963 nan 8.360 nan 0.000 0.420 264 G N 0.189 108.967 108.800 -0.037 0.000 2.340 264 G HA2 0.361 4.320 3.960 -0.002 0.000 0.245 264 G HA3 0.361 4.320 3.960 -0.002 0.000 0.245 264 G C 0.753 175.644 174.900 -0.015 0.000 1.294 264 G CA 0.219 45.305 45.100 -0.024 0.000 0.896 264 G HN 0.656 nan 8.290 nan 0.000 0.522 265 G N 2.539 111.336 108.800 -0.006 0.000 3.102 265 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.200 265 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.200 265 G C 0.694 175.595 174.900 0.002 0.000 1.685 265 G CA 0.105 45.203 45.100 -0.003 0.000 1.299 265 G HN 0.767 nan 8.290 nan 0.000 0.576 266 N N 0.484 119.183 118.700 -0.002 0.000 2.262 266 N HA 0.421 5.160 4.740 -0.002 0.000 0.260 266 N C 0.279 175.795 175.510 0.010 0.000 1.305 266 N CA 0.138 53.189 53.050 0.002 0.000 0.913 266 N CB 0.278 38.763 38.487 -0.002 0.000 1.116 266 N HN 0.363 nan 8.380 nan 0.000 0.512 267 L N 0.221 121.451 121.223 0.012 0.000 2.421 267 L HA 0.162 4.501 4.340 -0.002 0.000 0.263 267 L C 1.053 177.921 176.870 -0.004 0.000 1.122 267 L CA -0.666 54.188 54.840 0.023 0.000 0.804 267 L CB 1.157 43.234 42.059 0.030 0.000 1.150 267 L HN 0.638 nan 8.230 nan 0.000 0.457 268 c N 0.574 119.170 118.600 -0.007 0.000 2.611 268 c HA 0.119 4.688 4.570 -0.002 0.000 0.282 268 c C 0.107 173.951 174.090 -0.410 0.000 1.321 268 c CA -0.228 56.010 56.329 -0.152 0.000 1.747 268 c CB -0.575 41.910 42.510 -0.041 0.000 2.124 268 c HN 0.530 nan 8.230 nan 0.000 0.531 269 Y N 0.746 121.079 120.300 0.055 0.000 2.535 269 Y HA 0.314 4.862 4.550 -0.002 0.000 0.341 269 Y C -1.951 173.941 175.900 -0.013 0.000 1.041 269 Y CA -2.199 55.918 58.100 0.028 0.000 1.307 269 Y CB 0.488 38.901 38.460 -0.079 0.000 1.095 269 Y HN 0.045 nan 8.280 nan 0.000 0.534 270 P HA -0.109 nan 4.420 nan 0.000 0.216 270 P C 1.452 178.806 177.300 0.090 0.000 1.153 270 P CA 1.539 64.691 63.100 0.086 0.000 0.844 270 P CB 0.244 31.989 31.700 0.076 0.000 0.787 271 T N 1.079 115.732 114.554 0.166 0.000 2.836 271 T HA -0.156 4.193 4.350 -0.002 0.000 0.268 271 T C 1.543 176.302 174.700 0.099 0.000 1.080 271 T CA 1.166 63.379 62.100 0.188 0.000 1.128 271 T CB -0.974 68.107 68.868 0.355 0.000 0.839 271 T HN 0.164 nan 8.240 nan 0.000 0.507 272 L N 0.586 121.783 121.223 -0.043 0.000 2.552 272 L HA 0.064 4.402 4.340 -0.002 0.000 0.227 272 L C 2.566 179.385 176.870 -0.085 0.000 1.146 272 L CA 0.465 55.186 54.840 -0.197 0.000 0.858 272 L CB -0.566 41.257 42.059 -0.392 0.000 0.969 272 L HN 0.139 nan 8.230 nan 0.000 0.451 273 Q N 0.957 120.742 119.800 -0.024 0.000 2.062 273 Q HA -0.168 4.171 4.340 -0.002 0.000 0.196 273 Q C 1.736 177.739 176.000 0.005 0.000 0.967 273 Q CA 1.759 57.558 55.803 -0.006 0.000 0.832 273 Q CB -0.031 28.714 28.738 0.011 0.000 0.899 273 Q HN 0.477 nan 8.270 nan 0.000 0.442 274 D N 0.366 120.780 120.400 0.024 0.000 2.149 274 D HA -0.199 4.440 4.640 -0.002 0.000 0.198 274 D C 1.976 178.283 176.300 0.011 0.000 0.990 274 D CA 1.490 55.512 54.000 0.036 0.000 0.839 274 D CB -0.772 40.065 40.800 0.061 0.000 0.948 274 D HN 0.315 nan 8.370 nan 0.000 0.460 275 I N 1.832 122.384 120.570 -0.030 0.000 2.099 275 I HA -0.277 3.892 4.170 -0.002 0.000 0.239 275 I C 1.920 177.989 176.117 -0.080 0.000 1.066 275 I CA 2.005 63.236 61.300 -0.115 0.000 1.324 275 I CB -0.899 37.032 38.000 -0.116 0.000 1.037 275 I HN -0.110 nan 8.210 nan 0.000 0.401 276 D N 0.209 120.603 120.400 -0.010 0.000 2.265 276 D HA -0.158 4.481 4.640 -0.002 0.000 0.208 276 D C 1.703 178.017 176.300 0.024 0.000 0.977 276 D CA 1.353 55.389 54.000 0.061 0.000 0.871 276 D CB -0.360 40.480 40.800 0.068 0.000 0.925 276 D HN 0.634 nan 8.370 nan 0.000 0.485 277 D N -0.838 119.567 120.400 0.008 0.000 2.087 277 D HA -0.175 4.463 4.640 -0.002 0.000 0.201 277 D C 1.790 178.100 176.300 0.017 0.000 0.980 277 D CA 0.708 54.715 54.000 0.011 0.000 0.849 277 D CB -0.861 39.953 40.800 0.024 0.000 1.001 277 D HN 0.236 nan 8.370 nan 0.000 0.452 278 Y N 1.213 121.434 120.300 -0.131 0.000 2.181 278 Y HA -0.226 4.323 4.550 -0.002 0.000 0.284 278 Y C 2.007 177.762 175.900 -0.242 0.000 1.179 278 Y CA 1.080 59.072 58.100 -0.181 0.000 1.179 278 Y CB -0.257 38.042 38.460 -0.268 0.000 0.973 278 Y HN -0.102 nan 8.280 nan 0.000 0.519 279 L N 0.654 121.880 121.223 0.005 0.000 1.994 279 L HA -0.244 4.095 4.340 -0.002 0.000 0.208 279 L C 2.151 179.022 176.870 0.001 0.000 1.071 279 L CA 1.738 56.544 54.840 -0.058 0.000 0.745 279 L CB -1.587 40.259 42.059 -0.356 0.000 0.892 279 L HN 0.334 nan 8.230 nan 0.000 0.431 280 N N 0.094 118.784 118.700 -0.016 0.000 2.309 280 N HA -0.120 4.619 4.740 -0.002 0.000 0.182 280 N C 1.018 176.504 175.510 -0.040 0.000 1.018 280 N CA 0.749 53.792 53.050 -0.010 0.000 0.876 280 N CB -0.150 38.288 38.487 -0.080 0.000 0.972 280 N HN 0.579 nan 8.380 nan 0.000 0.434 281 Q N 1.499 121.247 119.800 -0.087 0.000 2.379 281 Q HA -0.112 4.227 4.340 -0.002 0.000 0.320 281 Q C 0.703 176.681 176.000 -0.037 0.000 1.153 281 Q CA 1.096 56.860 55.803 -0.064 0.000 0.993 281 Q CB -0.268 28.451 28.738 -0.031 0.000 1.265 281 Q HN 0.329 nan 8.270 nan 0.000 0.423 282 D N -0.474 119.971 120.400 0.076 0.000 2.144 282 D HA -0.090 4.549 4.640 -0.002 0.000 0.200 282 D C 1.736 178.102 176.300 0.110 0.000 0.978 282 D CA 2.162 56.209 54.000 0.079 0.000 0.833 282 D CB -0.099 40.737 40.800 0.060 0.000 0.961 282 D HN 0.877 nan 8.370 nan 0.000 0.470 283 Y N -0.080 120.175 120.300 -0.076 0.000 2.153 283 Y HA 0.061 4.610 4.550 -0.002 0.000 0.289 283 Y C 2.426 178.298 175.900 -0.047 0.000 1.127 283 Y CA 0.687 58.751 58.100 -0.060 0.000 1.131 283 Y CB -1.257 37.161 38.460 -0.069 0.000 0.995 283 Y HN -0.029 nan 8.280 nan 0.000 0.505 284 V N 1.788 121.195 119.914 -0.845 0.000 2.392 284 V HA -0.255 3.864 4.120 -0.002 0.000 0.249 284 V C 2.330 178.299 176.094 -0.209 0.000 1.059 284 V CA 3.003 64.947 62.300 -0.593 0.000 1.051 284 V CB -0.740 30.599 31.823 -0.806 0.000 0.658 284 V HN 0.432 nan 8.190 nan 0.000 0.455 285 K N -0.735 119.570 120.400 -0.158 0.000 2.362 285 K HA -0.119 4.199 4.320 -0.002 0.000 0.200 285 K C 2.160 178.704 176.600 -0.093 0.000 1.046 285 K CA 1.122 57.350 56.287 -0.098 0.000 0.952 285 K CB 0.147 32.630 32.500 -0.029 0.000 0.753 285 K HN 0.656 nan 8.250 nan 0.000 0.466 286 E N 0.761 120.925 120.200 -0.060 0.000 2.016 286 E HA -0.096 4.252 4.350 -0.002 0.000 0.190 286 E C 1.931 178.516 176.600 -0.025 0.000 0.985 286 E CA 1.158 57.543 56.400 -0.024 0.000 0.802 286 E CB -0.595 29.111 29.700 0.011 0.000 0.762 286 E HN 0.208 nan 8.360 nan 0.000 0.448 287 A N 0.960 123.764 122.820 -0.026 0.000 1.870 287 A HA -0.251 4.068 4.320 -0.002 0.000 0.219 287 A C 2.586 180.130 177.584 -0.067 0.000 1.224 287 A CA 2.443 54.463 52.037 -0.028 0.000 0.650 287 A CB -1.164 17.831 19.000 -0.007 0.000 0.836 287 A HN 0.157 nan 8.150 nan 0.000 0.454 288 V N -0.298 119.564 119.914 -0.086 0.000 2.568 288 V HA -0.013 4.106 4.120 -0.002 0.000 0.253 288 V C 1.775 177.837 176.094 -0.053 0.000 1.072 288 V CA 1.415 63.642 62.300 -0.123 0.000 1.084 288 V CB -1.831 29.940 31.823 -0.086 0.000 0.676 288 V HN 1.492 nan 8.190 nan 0.000 0.469 289 G N 0.453 109.238 108.800 -0.024 0.000 2.367 289 G HA2 -0.072 3.886 3.960 -0.002 0.000 0.295 289 G HA3 -0.072 3.886 3.960 -0.002 0.000 0.295 289 G C 0.004 175.005 174.900 0.169 0.000 1.019 289 G CA 0.179 45.306 45.100 0.046 0.000 1.224 289 G HN 1.104 nan 8.290 nan 0.000 0.510 290 A N -0.152 122.713 122.820 0.074 0.000 2.309 290 A HA 0.855 5.174 4.320 -0.002 0.000 0.298 290 A C 0.939 178.578 177.584 0.091 0.000 1.165 290 A CA 0.988 53.163 52.037 0.229 0.000 0.821 290 A CB 0.757 19.521 19.000 -0.393 0.000 1.102 290 A HN 1.723 nan 8.150 nan 0.000 0.500 291 E N 1.802 122.007 120.200 0.009 0.000 2.416 291 E HA 0.384 4.732 4.350 -0.002 0.000 0.189 291 E C 0.170 176.603 176.600 -0.279 0.000 1.091 291 E CA 0.314 56.593 56.400 -0.201 0.000 0.889 291 E CB -0.347 29.146 29.700 -0.344 0.000 1.015 291 E HN 0.546 nan 8.360 nan 0.000 0.479 292 V N 0.638 120.511 119.914 -0.068 0.000 2.743 292 V HA 0.194 4.313 4.120 -0.002 0.000 0.301 292 V C 0.590 176.719 176.094 0.057 0.000 1.057 292 V CA -0.242 62.059 62.300 0.002 0.000 1.006 292 V CB 1.882 33.875 31.823 0.283 0.000 1.024 292 V HN 0.425 nan 8.190 nan 0.000 0.473 293 D N 0.226 120.660 120.400 0.057 0.000 2.277 293 D HA 0.071 4.710 4.640 -0.002 0.000 0.209 293 D C 0.191 176.589 176.300 0.163 0.000 0.970 293 D CA 0.905 54.954 54.000 0.081 0.000 0.874 293 D CB 0.260 41.086 40.800 0.043 0.000 0.982 293 D HN 0.513 nan 8.370 nan 0.000 0.504 294 H N -0.508 118.606 119.070 0.074 0.000 2.934 294 H HA 0.143 4.697 4.556 -0.002 0.000 0.340 294 H C -1.833 173.545 175.328 0.084 0.000 1.008 294 H CA -0.662 55.430 56.048 0.073 0.000 1.317 294 H CB 0.293 30.068 29.762 0.021 0.000 1.670 294 H HN -0.096 nan 8.280 nan 0.000 0.516 295 Y N 4.510 124.877 120.300 0.111 0.000 2.335 295 Y HA 0.380 4.928 4.550 -0.002 0.000 0.339 295 Y C -0.440 175.445 175.900 -0.025 0.000 0.987 295 Y CA -0.309 57.732 58.100 -0.099 0.000 1.140 295 Y CB 0.809 38.925 38.460 -0.573 0.000 1.173 295 Y HN 0.600 nan 8.280 nan 0.000 0.486 296 E N 2.881 122.702 120.200 -0.631 0.000 2.222 296 E HA 0.260 4.608 4.350 -0.002 0.000 0.267 296 E C 0.194 176.192 176.600 -1.002 0.000 0.963 296 E CA -0.533 55.533 56.400 -0.556 0.000 0.837 296 E CB 2.052 31.592 29.700 -0.268 0.000 1.183 296 E HN 0.805 nan 8.360 nan 0.000 0.403 297 S N 0.164 115.552 115.700 -0.521 0.000 2.338 297 S HA -0.054 4.415 4.470 -0.002 0.000 0.218 297 S C 0.548 174.980 174.600 -0.280 0.000 1.032 297 S CA 0.597 58.572 58.200 -0.374 0.000 0.999 297 S CB 0.147 63.257 63.200 -0.149 0.000 0.905 297 S HN 0.537 nan 8.310 nan 0.000 0.439 298 c N 1.729 120.217 118.600 -0.187 0.000 2.614 298 c HA 0.656 5.225 4.570 -0.002 0.000 0.320 298 c C -0.042 174.001 174.090 -0.079 0.000 1.200 298 c CA -1.419 54.845 56.329 -0.108 0.000 1.700 298 c CB 0.993 43.471 42.510 -0.053 0.000 2.275 298 c HN 0.453 nan 8.230 nan 0.000 0.492 299 N N 0.445 119.123 118.700 -0.038 0.000 2.621 299 N HA 0.247 4.986 4.740 -0.002 0.000 0.237 299 N C 0.305 175.866 175.510 0.084 0.000 0.997 299 N CA -0.822 52.236 53.050 0.014 0.000 0.918 299 N CB 0.008 38.497 38.487 0.003 0.000 1.122 299 N HN 0.601 nan 8.380 nan 0.000 0.510 300 F N 3.155 123.086 119.950 -0.031 0.000 2.079 300 F HA -0.369 4.156 4.527 -0.002 0.000 0.296 300 F C 1.514 177.334 175.800 0.033 0.000 1.084 300 F CA 2.102 60.100 58.000 -0.003 0.000 1.236 300 F CB 0.103 39.100 39.000 -0.005 0.000 0.984 300 F HN 0.527 nan 8.300 nan 0.000 0.488 301 D N -0.141 120.341 120.400 0.136 0.000 2.087 301 D HA -0.238 4.400 4.640 -0.002 0.000 0.192 301 D C 2.603 178.936 176.300 0.054 0.000 0.993 301 D CA 2.262 56.306 54.000 0.073 0.000 0.828 301 D CB -1.051 39.816 40.800 0.111 0.000 0.968 301 D HN 0.395 nan 8.370 nan 0.000 0.448 302 I N 1.922 122.537 120.570 0.074 0.000 2.118 302 I HA -0.260 3.908 4.170 -0.002 0.000 0.241 302 I C 2.178 178.352 176.117 0.095 0.000 1.070 302 I CA 2.258 63.630 61.300 0.119 0.000 1.327 302 I CB -1.214 36.827 38.000 0.068 0.000 1.034 302 I HN 0.188 nan 8.210 nan 0.000 0.405 303 N N 1.124 119.798 118.700 -0.043 0.000 2.037 303 N HA -0.376 4.363 4.740 -0.002 0.000 0.196 303 N C 2.336 177.808 175.510 -0.063 0.000 1.034 303 N CA 2.599 55.590 53.050 -0.098 0.000 0.861 303 N CB -0.679 37.729 38.487 -0.132 0.000 1.039 303 N HN 0.757 nan 8.380 nan 0.000 0.427 304 R N 0.758 121.167 120.500 -0.152 0.000 2.094 304 R HA -0.131 4.208 4.340 -0.002 0.000 0.239 304 R C 1.685 178.083 176.300 0.164 0.000 1.137 304 R CA 2.155 58.215 56.100 -0.066 0.000 0.943 304 R CB -0.457 29.765 30.300 -0.129 0.000 0.850 304 R HN 0.331 nan 8.270 nan 0.000 0.433 305 N N -0.051 118.764 118.700 0.191 0.000 2.223 305 N HA -0.158 4.581 4.740 -0.002 0.000 0.185 305 N C 1.601 177.230 175.510 0.199 0.000 1.016 305 N CA 1.276 54.456 53.050 0.217 0.000 0.863 305 N CB -0.437 38.155 38.487 0.174 0.000 0.983 305 N HN 0.206 nan 8.380 nan 0.000 0.429 306 F N 1.149 121.120 119.950 0.036 0.000 2.146 306 F HA -0.029 4.497 4.527 -0.002 0.000 0.298 306 F C 2.246 178.068 175.800 0.037 0.000 1.096 306 F CA 0.429 58.470 58.000 0.069 0.000 1.275 306 F CB -0.644 38.383 39.000 0.044 0.000 1.008 306 F HN -0.028 nan 8.300 nan 0.000 0.480 307 L N -0.993 120.278 121.223 0.080 0.000 2.017 307 L HA -0.194 4.145 4.340 -0.002 0.000 0.208 307 L C 1.761 178.371 176.870 -0.433 0.000 1.073 307 L CA 1.815 56.493 54.840 -0.271 0.000 0.745 307 L CB -0.793 40.892 42.059 -0.625 0.000 0.894 307 L HN -0.003 nan 8.230 nan 0.000 0.432 308 F N -0.341 119.596 119.950 -0.022 0.000 2.802 308 F HA 0.146 4.672 4.527 -0.002 0.000 0.300 308 F C 2.044 177.799 175.800 -0.075 0.000 1.168 308 F CA 0.579 58.545 58.000 -0.056 0.000 1.433 308 F CB -0.699 38.265 39.000 -0.059 0.000 1.115 308 F HN 0.199 nan 8.300 nan 0.000 0.582 309 A N -0.972 121.869 122.820 0.034 0.000 2.288 309 A HA 0.566 4.885 4.320 -0.002 0.000 0.216 309 A C 1.993 179.560 177.584 -0.029 0.000 1.199 309 A CA 0.705 52.728 52.037 -0.023 0.000 0.891 309 A CB -0.259 18.696 19.000 -0.075 0.000 0.923 309 A HN 0.466 nan 8.150 nan 0.000 0.500 310 G N -0.344 108.462 108.800 0.009 0.000 2.278 310 G HA2 -0.300 3.658 3.960 -0.002 0.000 0.210 310 G HA3 -0.300 3.658 3.960 -0.002 0.000 0.210 310 G C 0.633 175.639 174.900 0.177 0.000 1.000 310 G CA 0.805 45.929 45.100 0.039 0.000 0.635 310 G HN 0.373 nan 8.290 nan 0.000 0.495 311 D N -0.453 120.093 120.400 0.244 0.000 2.855 311 D HA -0.260 4.378 4.640 -0.002 0.000 0.242 311 D C 1.811 178.511 176.300 0.665 0.000 1.105 311 D CA 2.641 56.920 54.000 0.466 0.000 0.977 311 D CB -0.296 40.810 40.800 0.510 0.000 1.241 311 D HN 0.404 nan 8.370 nan 0.000 0.500 312 W N -0.223 121.333 121.300 0.425 0.000 2.258 312 W HA -0.249 4.410 4.660 -0.002 0.000 0.302 312 W C 1.245 178.022 176.519 0.431 0.000 1.241 312 W CA 1.086 58.669 57.345 0.395 0.000 1.246 312 W CB -0.208 29.365 29.460 0.189 0.000 1.134 312 W HN 0.230 nan 8.180 nan 0.000 0.531 313 M N 0.517 120.432 119.600 0.525 0.000 2.383 313 M HA 0.094 4.572 4.480 -0.002 0.000 0.247 313 M C 0.185 176.645 176.300 0.266 0.000 1.117 313 M CA 0.357 55.842 55.300 0.308 0.000 0.995 313 M CB -0.629 32.048 32.600 0.128 0.000 1.480 313 M HN -0.352 nan 8.290 nan 0.000 0.485 314 K N 2.181 122.675 120.400 0.156 0.000 2.218 314 K HA 0.293 4.612 4.320 -0.002 0.000 0.276 314 K C -2.264 174.092 176.600 -0.406 0.000 1.022 314 K CA -1.436 54.736 56.287 -0.192 0.000 0.946 314 K CB 0.359 32.579 32.500 -0.467 0.000 1.000 314 K HN -0.035 nan 8.250 nan 0.000 0.468 315 P HA 0.112 nan 4.420 nan 0.000 0.238 315 P C -0.449 176.570 177.300 -0.469 0.000 1.794 315 P CA -0.243 62.456 63.100 -0.667 0.000 1.088 315 P CB -0.274 30.728 31.700 -1.164 0.000 1.923 316 Y N 0.421 120.565 120.300 -0.259 0.000 2.529 316 Y HA -0.066 4.482 4.550 -0.002 0.000 0.290 316 Y C 2.391 178.109 175.900 -0.304 0.000 1.177 316 Y CA 0.563 58.485 58.100 -0.297 0.000 1.305 316 Y CB -1.056 37.173 38.460 -0.385 0.000 1.047 316 Y HN 0.505 nan 8.280 nan 0.000 0.522 317 H N -2.947 115.915 119.070 -0.345 0.000 2.521 317 H HA -0.098 4.457 4.556 -0.002 0.000 0.286 317 H C 2.081 177.268 175.328 -0.234 0.000 1.034 317 H CA 1.267 57.085 56.048 -0.383 0.000 1.278 317 H CB -0.575 28.898 29.762 -0.482 0.000 1.386 317 H HN 0.223 nan 8.280 nan 0.000 0.567 318 T N -1.128 113.013 114.554 -0.689 0.000 2.720 318 T HA -0.194 4.155 4.350 -0.002 0.000 0.268 318 T C 2.381 176.938 174.700 -0.237 0.000 1.037 318 T CA 1.139 62.940 62.100 -0.497 0.000 1.144 318 T CB -0.758 67.829 68.868 -0.468 0.000 0.864 318 T HN 0.556 nan 8.240 nan 0.000 0.444 319 A N 1.120 123.843 122.820 -0.162 0.000 1.948 319 A HA -0.017 4.302 4.320 -0.002 0.000 0.220 319 A C 2.677 180.213 177.584 -0.080 0.000 1.177 319 A CA 1.774 53.761 52.037 -0.083 0.000 0.636 319 A CB -1.329 17.651 19.000 -0.035 0.000 0.815 319 A HN 0.434 nan 8.150 nan 0.000 0.449 320 V N -0.381 119.478 119.914 -0.092 0.000 2.282 320 V HA -0.282 3.837 4.120 -0.002 0.000 0.249 320 V C 2.786 178.810 176.094 -0.115 0.000 1.057 320 V CA 2.636 64.893 62.300 -0.070 0.000 1.032 320 V CB -1.108 30.723 31.823 0.013 0.000 0.645 320 V HN 0.653 nan 8.190 nan 0.000 0.447 321 T N -0.564 113.928 114.554 -0.103 0.000 2.746 321 T HA -0.194 4.154 4.350 -0.002 0.000 0.267 321 T C 1.622 176.307 174.700 -0.025 0.000 1.039 321 T CA 1.685 63.751 62.100 -0.056 0.000 1.142 321 T CB -0.394 68.447 68.868 -0.045 0.000 0.866 321 T HN 0.522 nan 8.240 nan 0.000 0.444 322 D N 1.282 121.655 120.400 -0.046 0.000 2.092 322 D HA -0.046 4.592 4.640 -0.002 0.000 0.193 322 D C 2.198 178.483 176.300 -0.023 0.000 0.994 322 D CA 0.897 54.878 54.000 -0.033 0.000 0.828 322 D CB -0.564 40.213 40.800 -0.038 0.000 0.963 322 D HN 0.308 nan 8.370 nan 0.000 0.450 323 L N 0.359 121.563 121.223 -0.032 0.000 2.012 323 L HA -0.184 4.155 4.340 -0.002 0.000 0.210 323 L C 2.670 179.522 176.870 -0.030 0.000 1.073 323 L CA 0.891 55.712 54.840 -0.031 0.000 0.748 323 L CB -0.519 41.525 42.059 -0.026 0.000 0.891 323 L HN 0.021 nan 8.230 nan 0.000 0.431 324 L N -0.433 120.778 121.223 -0.020 0.000 2.083 324 L HA -0.194 4.145 4.340 -0.002 0.000 0.209 324 L C 2.364 179.349 176.870 0.192 0.000 1.083 324 L CA 0.928 55.825 54.840 0.094 0.000 0.752 324 L CB -0.648 41.391 42.059 -0.034 0.000 0.899 324 L HN 0.355 nan 8.230 nan 0.000 0.433 325 N N 0.124 118.884 118.700 0.100 0.000 2.166 325 N HA -0.164 4.574 4.740 -0.002 0.000 0.186 325 N C 1.166 176.680 175.510 0.006 0.000 1.019 325 N CA 1.002 54.083 53.050 0.052 0.000 0.856 325 N CB -0.194 38.300 38.487 0.011 0.000 0.993 325 N HN 0.487 nan 8.380 nan 0.000 0.426 326 Q N 0.963 120.751 119.800 -0.019 0.000 2.247 326 Q HA 0.072 4.411 4.340 -0.002 0.000 0.234 326 Q C -0.769 175.171 176.000 -0.100 0.000 0.899 326 Q CA -0.149 55.627 55.803 -0.046 0.000 0.951 326 Q CB -0.168 28.546 28.738 -0.040 0.000 1.057 326 Q HN 0.129 nan 8.270 nan 0.000 0.444 327 D N 1.112 121.428 120.400 -0.141 0.000 2.702 327 D HA -0.196 4.442 4.640 -0.002 0.000 0.233 327 D C -0.938 175.054 176.300 -0.513 0.000 1.164 327 D CA 0.748 54.516 54.000 -0.387 0.000 0.638 327 D CB -0.787 39.904 40.800 -0.181 0.000 1.041 327 D HN 0.405 nan 8.370 nan 0.000 0.422 328 L N 0.490 121.498 121.223 -0.358 0.000 2.264 328 L HA 0.370 4.709 4.340 -0.002 0.000 0.289 328 L C -1.978 174.861 176.870 -0.052 0.000 1.044 328 L CA -1.877 52.842 54.840 -0.203 0.000 0.807 328 L CB 1.185 43.189 42.059 -0.092 0.000 1.192 328 L HN -0.202 nan 8.230 nan 0.000 0.425 329 P HA 0.119 nan 4.420 nan 0.000 0.270 329 P C -0.938 176.678 177.300 0.528 0.000 1.242 329 P CA 0.324 63.617 63.100 0.321 0.000 0.768 329 P CB 0.478 32.172 31.700 -0.011 0.000 0.820 330 I N 4.412 125.341 120.570 0.598 0.000 2.569 330 I HA 0.444 4.613 4.170 -0.002 0.000 0.296 330 I C 0.121 176.302 176.117 0.107 0.000 1.028 330 I CA -1.064 60.462 61.300 0.377 0.000 1.082 330 I CB 2.548 40.773 38.000 0.374 0.000 1.264 330 I HN 0.251 nan 8.210 nan 0.000 0.429 331 L N 6.777 127.779 121.223 -0.369 0.000 2.372 331 L HA 0.517 4.856 4.340 -0.002 0.000 0.273 331 L C -1.343 175.375 176.870 -0.252 0.000 0.989 331 L CA -0.486 53.967 54.840 -0.645 0.000 0.841 331 L CB 1.577 42.709 42.059 -1.544 0.000 1.225 331 L HN 0.311 nan 8.230 nan 0.000 0.414 332 V N 5.892 125.694 119.914 -0.187 0.000 2.334 332 V HA 0.301 4.420 4.120 -0.002 0.000 0.267 332 V C -0.648 175.409 176.094 -0.062 0.000 1.040 332 V CA -0.320 61.942 62.300 -0.064 0.000 0.866 332 V CB 0.394 32.165 31.823 -0.086 0.000 1.019 332 V HN 0.656 nan 8.190 nan 0.000 0.468 333 Y N 2.928 123.116 120.300 -0.186 0.000 2.393 333 Y HA 0.913 5.462 4.550 -0.002 0.000 0.341 333 Y C -0.210 175.640 175.900 -0.083 0.000 0.988 333 Y CA -1.425 56.529 58.100 -0.244 0.000 1.078 333 Y CB 1.803 40.109 38.460 -0.256 0.000 1.203 333 Y HN 0.553 nan 8.280 nan 0.000 0.453 334 A N 2.749 125.584 122.820 0.025 0.000 2.335 334 A HA 0.688 5.006 4.320 -0.002 0.000 0.304 334 A C 0.147 177.829 177.584 0.162 0.000 1.118 334 A CA -0.531 51.570 52.037 0.107 0.000 0.757 334 A CB 0.402 19.583 19.000 0.300 0.000 1.188 334 A HN 1.388 nan 8.150 nan 0.000 0.460 335 G N 1.849 110.750 108.800 0.169 0.000 2.272 335 G HA2 0.314 4.273 3.960 -0.002 0.000 0.247 335 G HA3 0.314 4.273 3.960 -0.002 0.000 0.247 335 G C 0.435 175.470 174.900 0.226 0.000 1.272 335 G CA 0.407 45.621 45.100 0.190 0.000 0.921 335 G HN 0.822 nan 8.290 nan 0.000 0.495 336 D N 1.838 122.317 120.400 0.131 0.000 2.336 336 D HA -0.028 4.611 4.640 -0.002 0.000 0.229 336 D C 0.817 177.239 176.300 0.202 0.000 1.061 336 D CA 0.302 54.322 54.000 0.033 0.000 0.875 336 D CB 0.378 40.947 40.800 -0.384 0.000 0.904 336 D HN 0.301 nan 8.370 nan 0.000 0.525 337 K N 0.581 121.126 120.400 0.241 0.000 2.455 337 K HA 0.142 4.461 4.320 -0.002 0.000 0.206 337 K C -0.356 176.432 176.600 0.314 0.000 1.027 337 K CA -0.373 56.070 56.287 0.260 0.000 1.113 337 K CB 0.862 33.493 32.500 0.218 0.000 0.850 337 K HN 0.118 nan 8.250 nan 0.000 0.503 338 D N -0.177 120.428 120.400 0.342 0.000 2.168 338 D HA 0.134 4.773 4.640 -0.002 0.000 0.246 338 D C 0.357 176.829 176.300 0.287 0.000 1.050 338 D CA -0.609 53.598 54.000 0.345 0.000 0.857 338 D CB 0.870 41.900 40.800 0.383 0.000 1.169 338 D HN -0.047 nan 8.370 nan 0.000 0.453 339 F N 3.948 123.917 119.950 0.032 0.000 2.274 339 F HA 0.162 4.688 4.527 -0.002 0.000 0.288 339 F C 1.796 177.587 175.800 -0.015 0.000 1.069 339 F CA 0.291 58.211 58.000 -0.133 0.000 1.343 339 F CB -0.351 38.268 39.000 -0.635 0.000 1.089 339 F HN 0.479 nan 8.300 nan 0.000 0.517 340 I N 0.173 120.598 120.570 -0.241 0.000 2.248 340 I HA -0.286 3.883 4.170 -0.002 0.000 0.248 340 I C 0.249 176.342 176.117 -0.039 0.000 1.107 340 I CA 1.586 62.760 61.300 -0.210 0.000 1.373 340 I CB -0.159 37.742 38.000 -0.165 0.000 1.055 340 I HN 0.293 nan 8.210 nan 0.000 0.418 341 C N 1.531 120.872 119.300 0.068 0.000 3.370 341 C HA 0.321 4.780 4.460 -0.002 0.000 0.190 341 C C 0.122 175.140 174.990 0.046 0.000 1.647 341 C CA -1.234 57.824 59.018 0.066 0.000 1.277 341 C CB -1.941 25.892 27.740 0.155 0.000 2.037 341 C HN 0.440 nan 8.230 nan 0.000 0.537 342 N N 1.611 120.273 118.700 -0.065 0.000 2.206 342 N HA -0.093 4.646 4.740 -0.002 0.000 0.226 342 N C 1.273 176.776 175.510 -0.012 0.000 1.272 342 N CA 0.662 53.686 53.050 -0.043 0.000 0.863 342 N CB 0.497 38.816 38.487 -0.279 0.000 1.092 342 N HN 0.835 nan 8.380 nan 0.000 0.440 343 W N 0.991 122.317 121.300 0.042 0.000 2.737 343 W HA 0.120 4.778 4.660 -0.002 0.000 0.262 343 W C 0.730 177.239 176.519 -0.016 0.000 1.282 343 W CA 0.073 57.474 57.345 0.095 0.000 1.386 343 W CB -0.916 28.635 29.460 0.152 0.000 1.099 343 W HN 0.436 nan 8.180 nan 0.000 0.621 344 L N 1.660 122.028 121.223 -1.425 0.000 1.994 344 L HA -0.079 4.260 4.340 -0.002 0.000 0.208 344 L C 2.850 179.114 176.870 -1.009 0.000 1.071 344 L CA 2.186 56.194 54.840 -1.387 0.000 0.745 344 L CB -1.490 40.001 42.059 -0.948 0.000 0.892 344 L HN 0.116 nan 8.230 nan 0.000 0.431 345 G N -0.748 107.673 108.800 -0.630 0.000 2.394 345 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.215 345 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.215 345 G C 1.324 176.100 174.900 -0.206 0.000 1.165 345 G CA 0.396 45.282 45.100 -0.357 0.000 0.784 345 G HN 0.382 nan 8.290 nan 0.000 0.535 346 N N 0.421 119.033 118.700 -0.148 0.000 2.381 346 N HA -0.084 4.655 4.740 -0.002 0.000 0.182 346 N C 2.042 177.137 175.510 -0.691 0.000 1.025 346 N CA 0.858 53.847 53.050 -0.103 0.000 0.888 346 N CB -0.041 38.505 38.487 0.097 0.000 0.965 346 N HN 0.387 nan 8.380 nan 0.000 0.438 347 K N 1.699 121.652 120.400 -0.745 0.000 1.991 347 K HA -0.126 4.192 4.320 -0.002 0.000 0.212 347 K C 2.094 178.196 176.600 -0.831 0.000 1.049 347 K CA 1.566 57.154 56.287 -1.166 0.000 0.932 347 K CB -0.116 32.000 32.500 -0.640 0.000 0.717 347 K HN 0.032 nan 8.250 nan 0.000 0.441 348 A N 1.814 124.288 122.820 -0.577 0.000 1.930 348 A HA -0.151 4.168 4.320 -0.002 0.000 0.217 348 A C 2.146 179.673 177.584 -0.095 0.000 1.175 348 A CA 1.399 53.246 52.037 -0.316 0.000 0.627 348 A CB -1.206 17.582 19.000 -0.353 0.000 0.815 348 A HN 0.816 nan 8.150 nan 0.000 0.443 349 W N -0.059 121.144 121.300 -0.162 0.000 2.338 349 W HA -0.148 4.511 4.660 -0.002 0.000 0.304 349 W C 1.499 177.985 176.519 -0.055 0.000 1.212 349 W CA 1.591 58.894 57.345 -0.071 0.000 1.264 349 W CB -1.290 28.132 29.460 -0.063 0.000 1.142 349 W HN 0.238 nan 8.180 nan 0.000 0.512 350 T N 1.895 116.046 114.554 -0.672 0.000 2.674 350 T HA -0.214 4.135 4.350 -0.002 0.000 0.265 350 T C 0.975 175.515 174.700 -0.266 0.000 1.039 350 T CA 2.303 63.984 62.100 -0.698 0.000 1.150 350 T CB -0.622 67.681 68.868 -0.942 0.000 0.864 350 T HN -0.000 nan 8.240 nan 0.000 0.427 351 D N 0.557 120.872 120.400 -0.142 0.000 2.389 351 D HA -0.056 4.582 4.640 -0.002 0.000 0.221 351 D C 1.639 178.012 176.300 0.122 0.000 0.974 351 D CA 0.599 54.654 54.000 0.092 0.000 0.923 351 D CB 0.007 40.830 40.800 0.038 0.000 0.892 351 D HN 0.480 nan 8.370 nan 0.000 0.518 352 V N -2.654 117.322 119.914 0.103 0.000 3.382 352 V HA 0.295 4.413 4.120 -0.002 0.000 0.296 352 V C 0.435 176.637 176.094 0.180 0.000 1.529 352 V CA -0.581 61.809 62.300 0.151 0.000 1.048 352 V CB -0.276 31.635 31.823 0.147 0.000 0.878 352 V HN -0.062 nan 8.190 nan 0.000 0.442 353 L N 3.286 124.619 121.223 0.184 0.000 2.485 353 L HA 0.495 4.834 4.340 -0.002 0.000 0.275 353 L C -2.430 174.563 176.870 0.205 0.000 1.207 353 L CA -0.538 54.418 54.840 0.194 0.000 0.855 353 L CB 0.470 42.587 42.059 0.098 0.000 1.114 353 L HN 0.130 nan 8.230 nan 0.000 0.485 354 P HA 0.397 nan 4.420 nan 0.000 0.292 354 P C -1.582 175.886 177.300 0.280 0.000 1.283 354 P CA -0.314 62.899 63.100 0.188 0.000 0.835 354 P CB 0.978 32.724 31.700 0.078 0.000 1.017 355 W N 2.979 124.212 121.300 -0.112 0.000 2.882 355 W HA 0.232 4.890 4.660 -0.003 0.000 0.382 355 W C 0.425 176.858 176.519 -0.144 0.000 1.143 355 W CA -0.712 56.548 57.345 -0.141 0.000 1.155 355 W CB 0.043 29.385 29.460 -0.196 0.000 1.466 355 W HN 0.285 nan 8.180 nan 0.000 0.570 356 K N 0.640 120.701 120.400 -0.565 0.000 2.063 356 K HA -0.216 4.103 4.320 -0.002 0.000 0.208 356 K C 0.954 176.895 176.600 -1.099 0.000 1.048 356 K CA 1.845 57.644 56.287 -0.814 0.000 0.928 356 K CB -0.821 31.196 32.500 -0.804 0.000 0.713 356 K HN 0.415 nan 8.250 nan 0.000 0.442 357 Y N 2.474 121.817 120.300 -1.595 0.000 2.471 357 Y HA 0.032 4.582 4.550 -0.001 0.000 0.321 357 Y C 1.579 176.837 175.900 -1.070 0.000 1.195 357 Y CA -0.747 56.553 58.100 -1.333 0.000 1.272 357 Y CB -0.810 37.070 38.460 -0.967 0.000 1.097 357 Y HN 0.205 nan 8.280 nan 0.000 0.507 358 D N 1.795 121.611 120.400 -0.973 0.000 2.303 358 D HA -0.353 4.285 4.640 -0.002 0.000 0.190 358 D C 2.118 178.390 176.300 -0.046 0.000 1.011 358 D CA 2.615 56.418 54.000 -0.329 0.000 0.860 358 D CB 0.072 40.727 40.800 -0.242 0.000 0.961 358 D HN 0.485 nan 8.370 nan 0.000 0.453 359 E N -0.071 120.063 120.200 -0.110 0.000 2.216 359 E HA -0.108 4.240 4.350 -0.002 0.000 0.192 359 E C 2.027 178.575 176.600 -0.086 0.000 0.988 359 E CA 1.473 57.842 56.400 -0.052 0.000 0.834 359 E CB -0.641 29.027 29.700 -0.053 0.000 0.772 359 E HN 0.478 nan 8.360 nan 0.000 0.479 360 E N -0.381 119.680 120.200 -0.232 0.000 2.072 360 E HA 0.038 4.387 4.350 -0.002 0.000 0.190 360 E C 1.706 178.144 176.600 -0.270 0.000 0.982 360 E CA 0.842 56.999 56.400 -0.406 0.000 0.803 360 E CB -0.555 28.637 29.700 -0.847 0.000 0.755 360 E HN 0.574 nan 8.360 nan 0.000 0.453 361 F N 1.397 121.230 119.950 -0.196 0.000 2.091 361 F HA -0.238 4.288 4.527 -0.002 0.000 0.299 361 F C 2.094 177.965 175.800 0.119 0.000 1.103 361 F CA 1.680 59.781 58.000 0.168 0.000 1.228 361 F CB -0.365 38.982 39.000 0.578 0.000 0.984 361 F HN 0.044 nan 8.300 nan 0.000 0.477 362 A N -1.552 121.454 122.820 0.310 0.000 2.121 362 A HA -0.094 4.224 4.320 -0.002 0.000 0.218 362 A C 2.241 179.855 177.584 0.051 0.000 1.154 362 A CA 1.494 53.649 52.037 0.196 0.000 0.679 362 A CB -0.981 18.129 19.000 0.183 0.000 0.795 362 A HN 0.468 nan 8.150 nan 0.000 0.458 363 S N -0.936 114.766 115.700 0.002 0.000 2.341 363 S HA 0.085 4.554 4.470 -0.002 0.000 0.216 363 S C 1.489 176.068 174.600 -0.035 0.000 1.034 363 S CA 1.199 59.389 58.200 -0.017 0.000 0.964 363 S CB -0.744 62.441 63.200 -0.025 0.000 0.882 363 S HN 0.938 nan 8.310 nan 0.000 0.469 364 Q N 1.357 121.121 119.800 -0.060 0.000 2.398 364 Q HA 0.359 4.697 4.340 -0.002 0.000 0.329 364 Q C 0.018 175.963 176.000 -0.092 0.000 1.079 364 Q CA 0.922 56.687 55.803 -0.062 0.000 1.041 364 Q CB -1.441 27.273 28.738 -0.041 0.000 1.084 364 Q HN 0.922 nan 8.270 nan 0.000 0.386 365 K N 1.572 121.944 120.400 -0.047 0.000 2.154 365 K HA 0.619 4.938 4.320 -0.002 0.000 0.264 365 K C 0.117 176.692 176.600 -0.041 0.000 1.008 365 K CA -0.044 56.223 56.287 -0.034 0.000 0.937 365 K CB 1.228 33.723 32.500 -0.007 0.000 1.002 365 K HN 1.080 nan 8.250 nan 0.000 0.469 366 V N 3.523 123.425 119.914 -0.020 0.000 2.585 366 V HA 0.234 4.353 4.120 -0.002 0.000 0.296 366 V C 0.686 176.779 176.094 -0.002 0.000 1.035 366 V CA 0.148 62.444 62.300 -0.007 0.000 1.084 366 V CB 0.122 31.964 31.823 0.032 0.000 0.953 366 V HN 1.002 nan 8.190 nan 0.000 0.483 367 R N 3.173 123.666 120.500 -0.011 0.000 2.837 367 R HA 0.617 4.956 4.340 -0.002 0.000 0.271 367 R C -1.107 175.194 176.300 0.001 0.000 0.993 367 R CA -1.063 55.039 56.100 0.003 0.000 0.931 367 R CB 1.156 31.462 30.300 0.010 0.000 1.206 367 R HN 0.565 nan 8.270 nan 0.000 0.474 368 N N 1.208 119.915 118.700 0.012 0.000 2.458 368 N HA 0.104 4.842 4.740 -0.002 0.000 0.270 368 N C -1.359 174.179 175.510 0.046 0.000 1.102 368 N CA -0.503 52.547 53.050 0.000 0.000 0.967 368 N CB 0.511 39.013 38.487 0.025 0.000 1.078 368 N HN 0.670 nan 8.380 nan 0.000 0.471 369 W N 1.927 123.115 121.300 -0.187 0.000 2.469 369 W HA 0.457 5.116 4.660 -0.003 0.000 0.320 369 W C -0.822 175.620 176.519 -0.129 0.000 1.086 369 W CA -0.602 56.651 57.345 -0.153 0.000 1.211 369 W CB 1.330 30.681 29.460 -0.182 0.000 1.298 369 W HN 0.279 nan 8.180 nan 0.000 0.525 370 T N 5.826 119.953 114.554 -0.712 0.000 2.743 370 T HA 0.493 4.842 4.350 -0.002 0.000 0.292 370 T C 0.132 174.130 174.700 -1.171 0.000 0.972 370 T CA -0.272 61.386 62.100 -0.738 0.000 0.967 370 T CB 0.460 69.103 68.868 -0.375 0.000 0.926 370 T HN 0.644 nan 8.240 nan 0.000 0.459 371 A N 3.336 125.498 122.820 -1.097 0.000 2.566 371 A HA 0.468 4.787 4.320 -0.002 0.000 0.245 371 A C 1.841 179.142 177.584 -0.472 0.000 1.056 371 A CA 0.456 51.949 52.037 -0.907 0.000 0.757 371 A CB -0.633 18.075 19.000 -0.487 0.000 0.979 371 A HN 1.134 nan 8.150 nan 0.000 0.508 372 S N 2.561 118.072 115.700 -0.315 0.000 2.369 372 S HA -0.224 4.244 4.470 -0.002 0.000 0.225 372 S C 1.690 176.221 174.600 -0.114 0.000 1.043 372 S CA 2.176 60.287 58.200 -0.148 0.000 1.074 372 S CB -0.657 62.521 63.200 -0.037 0.000 0.962 372 S HN 0.712 nan 8.310 nan 0.000 0.433 373 I N 0.738 121.259 120.570 -0.082 0.000 2.146 373 I HA -0.127 4.042 4.170 -0.002 0.000 0.231 373 I C 2.861 178.944 176.117 -0.057 0.000 1.063 373 I CA 1.656 62.932 61.300 -0.040 0.000 1.340 373 I CB -0.598 37.415 38.000 0.023 0.000 1.100 373 I HN 0.463 nan 8.210 nan 0.000 0.403 374 T N -1.546 112.968 114.554 -0.067 0.000 3.118 374 T HA -0.195 4.153 4.350 -0.002 0.000 0.269 374 T C 0.739 175.382 174.700 -0.095 0.000 1.166 374 T CA 1.121 63.180 62.100 -0.069 0.000 1.073 374 T CB -0.917 67.905 68.868 -0.076 0.000 0.884 374 T HN 0.510 nan 8.240 nan 0.000 0.550 375 D N 0.358 120.679 120.400 -0.131 0.000 2.689 375 D HA -0.130 4.509 4.640 -0.002 0.000 0.237 375 D C -0.572 175.650 176.300 -0.131 0.000 1.148 375 D CA 0.748 54.667 54.000 -0.134 0.000 0.656 375 D CB -0.715 40.030 40.800 -0.092 0.000 1.050 375 D HN 0.642 nan 8.370 nan 0.000 0.426 376 E N -0.499 119.600 120.200 -0.167 0.000 2.331 376 E HA 0.332 4.681 4.350 -0.002 0.000 0.275 376 E C -0.160 176.344 176.600 -0.159 0.000 0.895 376 E CA -0.953 55.375 56.400 -0.120 0.000 0.753 376 E CB 2.085 31.744 29.700 -0.068 0.000 1.216 376 E HN 0.153 nan 8.360 nan 0.000 0.434 377 V N 0.522 120.389 119.914 -0.077 0.000 2.644 377 V HA 0.223 4.341 4.120 -0.002 0.000 0.305 377 V C 0.416 176.533 176.094 0.038 0.000 1.053 377 V CA 1.341 63.614 62.300 -0.044 0.000 1.186 377 V CB 0.698 32.573 31.823 0.087 0.000 0.895 377 V HN 0.798 nan 8.190 nan 0.000 0.490 378 A N 3.368 126.163 122.820 -0.040 0.000 2.456 378 A HA 0.845 5.164 4.320 -0.002 0.000 0.237 378 A C 1.000 178.632 177.584 0.079 0.000 1.217 378 A CA 0.505 52.625 52.037 0.139 0.000 0.962 378 A CB 0.142 19.184 19.000 0.070 0.000 1.079 378 A HN 1.988 nan 8.150 nan 0.000 0.536 379 G N -0.710 107.881 108.800 -0.348 0.000 2.428 379 G HA2 0.499 4.458 3.960 -0.002 0.000 0.305 379 G HA3 0.499 4.458 3.960 -0.002 0.000 0.305 379 G C -1.998 172.418 174.900 -0.806 0.000 1.260 379 G CA -0.573 44.017 45.100 -0.850 0.000 0.853 379 G HN 0.073 nan 8.290 nan 0.000 0.480 380 E N 0.018 119.878 120.200 -0.566 0.000 2.244 380 E HA 0.484 4.833 4.350 -0.002 0.000 0.260 380 E C -0.294 176.150 176.600 -0.260 0.000 0.884 380 E CA -0.807 55.391 56.400 -0.337 0.000 0.777 380 E CB 2.695 32.258 29.700 -0.229 0.000 1.197 380 E HN 0.625 nan 8.360 nan 0.000 0.416 381 V N 0.354 120.169 119.914 -0.165 0.000 2.863 381 V HA 0.569 4.688 4.120 -0.002 0.000 0.307 381 V C 0.018 176.059 176.094 -0.090 0.000 1.061 381 V CA -0.605 61.597 62.300 -0.162 0.000 1.024 381 V CB 1.312 33.054 31.823 -0.134 0.000 1.049 381 V HN 0.574 nan 8.190 nan 0.000 0.471 382 K N 1.665 122.004 120.400 -0.102 0.000 2.695 382 K HA 0.494 4.813 4.320 -0.002 0.000 0.255 382 K C -1.321 175.184 176.600 -0.158 0.000 1.016 382 K CA 0.017 56.208 56.287 -0.161 0.000 0.928 382 K CB 1.879 34.306 32.500 -0.122 0.000 1.235 382 K HN 0.906 nan 8.250 nan 0.000 0.467 383 S N 2.377 117.994 115.700 -0.138 0.000 2.542 383 S HA 0.706 5.174 4.470 -0.002 0.000 0.293 383 S C -1.937 172.716 174.600 0.090 0.000 1.089 383 S CA -0.447 57.759 58.200 0.010 0.000 0.961 383 S CB 0.964 64.189 63.200 0.041 0.000 1.062 383 S HN 0.508 nan 8.310 nan 0.000 0.483 384 Y N 3.999 124.389 120.300 0.149 0.000 2.262 384 Y HA 0.237 4.786 4.550 -0.002 0.000 0.317 384 Y C 0.121 176.187 175.900 0.277 0.000 1.230 384 Y CA -0.525 57.718 58.100 0.238 0.000 1.166 384 Y CB 0.315 38.993 38.460 0.364 0.000 1.254 384 Y HN 0.888 nan 8.280 nan 0.000 0.405 385 K N 1.575 121.813 120.400 -0.270 0.000 1.931 385 K HA -0.358 3.961 4.320 -0.002 0.000 0.126 385 K C 0.571 177.192 176.600 0.036 0.000 1.372 385 K CA 2.034 58.219 56.287 -0.170 0.000 0.483 385 K CB -1.034 31.336 32.500 -0.216 0.000 0.562 385 K HN 1.069 nan 8.250 nan 0.000 0.923 386 H N 0.095 119.349 119.070 0.308 0.000 2.547 386 H HA 0.397 4.952 4.556 -0.002 0.000 0.274 386 H C 0.109 175.688 175.328 0.418 0.000 1.024 386 H CA 0.081 56.298 56.048 0.283 0.000 1.155 386 H CB -0.216 29.663 29.762 0.195 0.000 1.344 386 H HN 0.280 nan 8.280 nan 0.000 0.598 387 F N 1.984 121.959 119.950 0.042 0.000 2.445 387 F HA 0.486 5.012 4.527 -0.002 0.000 0.348 387 F C -0.997 174.959 175.800 0.260 0.000 1.125 387 F CA -1.132 56.871 58.000 0.004 0.000 0.983 387 F CB 1.572 40.234 39.000 -0.563 0.000 1.198 387 F HN -0.047 nan 8.300 nan 0.000 0.436 388 T N 6.038 120.524 114.554 -0.114 0.000 2.848 388 T HA 0.245 4.594 4.350 -0.002 0.000 0.285 388 T C -1.806 172.709 174.700 -0.308 0.000 0.995 388 T CA -0.415 61.632 62.100 -0.088 0.000 0.970 388 T CB 1.032 69.983 68.868 0.138 0.000 0.976 388 T HN 0.393 nan 8.240 nan 0.000 0.441 389 Y N 4.353 124.490 120.300 -0.272 0.000 2.369 389 Y HA 0.673 5.221 4.550 -0.002 0.000 0.337 389 Y C -1.297 174.488 175.900 -0.192 0.000 0.961 389 Y CA -1.528 56.405 58.100 -0.278 0.000 1.186 389 Y CB 0.504 38.846 38.460 -0.197 0.000 1.139 389 Y HN 0.531 nan 8.280 nan 0.000 0.494 390 L N 7.273 127.888 121.223 -1.013 0.000 2.307 390 L HA 0.567 4.906 4.340 -0.002 0.000 0.284 390 L C -0.672 175.627 176.870 -0.952 0.000 1.023 390 L CA -0.736 53.571 54.840 -0.887 0.000 0.810 390 L CB 1.301 42.937 42.059 -0.704 0.000 1.231 390 L HN 0.731 nan 8.230 nan 0.000 0.423 391 R N 4.797 124.903 120.500 -0.657 0.000 2.204 391 R HA 0.471 4.809 4.340 -0.002 0.000 0.341 391 R C -1.549 174.574 176.300 -0.296 0.000 1.035 391 R CA -0.610 55.275 56.100 -0.357 0.000 0.887 391 R CB 0.803 30.975 30.300 -0.213 0.000 1.114 391 R HN 0.555 nan 8.270 nan 0.000 0.473 392 V N 6.747 126.575 119.914 -0.143 0.000 2.397 392 V HA 0.094 4.212 4.120 -0.002 0.000 0.262 392 V C 0.201 176.351 176.094 0.095 0.000 1.047 392 V CA -0.107 62.174 62.300 -0.032 0.000 1.003 392 V CB -0.201 31.650 31.823 0.045 0.000 1.037 392 V HN 0.583 nan 8.190 nan 0.000 0.480 393 F N 5.436 125.366 119.950 -0.034 0.000 2.578 393 F HA 0.182 4.707 4.527 -0.002 0.000 0.381 393 F C 1.301 177.094 175.800 -0.012 0.000 1.069 393 F CA -0.475 57.491 58.000 -0.057 0.000 1.231 393 F CB -0.411 38.575 39.000 -0.024 0.000 1.086 393 F HN 0.682 nan 8.300 nan 0.000 0.564 394 N N 1.864 120.648 118.700 0.140 0.000 2.608 394 N HA -0.169 4.570 4.740 -0.002 0.000 0.273 394 N C -0.208 175.376 175.510 0.124 0.000 1.133 394 N CA 0.903 54.010 53.050 0.094 0.000 0.726 394 N CB -0.961 37.558 38.487 0.053 0.000 0.890 394 N HN 0.866 nan 8.380 nan 0.000 0.548 395 G N -1.199 107.689 108.800 0.148 0.000 2.719 395 G HA2 0.722 4.681 3.960 -0.002 0.000 0.298 395 G HA3 0.722 4.681 3.960 -0.002 0.000 0.298 395 G C 0.144 175.182 174.900 0.231 0.000 1.411 395 G CA -0.033 45.175 45.100 0.179 0.000 0.991 395 G HN 0.454 nan 8.290 nan 0.000 0.509 396 G N -0.654 108.311 108.800 0.276 0.000 2.938 396 G HA2 0.397 4.356 3.960 -0.002 0.000 0.258 396 G HA3 0.397 4.356 3.960 -0.002 0.000 0.258 396 G C 0.626 175.730 174.900 0.341 0.000 1.356 396 G CA -0.315 44.995 45.100 0.349 0.000 1.052 396 G HN 0.712 nan 8.290 nan 0.000 0.550 397 H N -0.568 118.689 119.070 0.313 0.000 2.492 397 H HA 0.003 4.558 4.556 -0.002 0.000 0.296 397 H C 1.025 176.442 175.328 0.147 0.000 1.095 397 H CA 1.459 57.659 56.048 0.252 0.000 1.281 397 H CB -0.097 29.900 29.762 0.392 0.000 1.374 397 H HN 0.168 nan 8.280 nan 0.000 0.545 398 M N -0.700 118.983 119.600 0.140 0.000 1.960 398 M HA 0.179 4.657 4.480 -0.002 0.000 0.271 398 M C 0.601 176.996 176.300 0.159 0.000 0.862 398 M CA -0.385 54.960 55.300 0.075 0.000 0.854 398 M CB 2.067 34.677 32.600 0.017 0.000 1.575 398 M HN -0.195 nan 8.290 nan 0.000 0.375 399 V N 2.780 122.791 119.914 0.163 0.000 2.324 399 V HA -0.167 3.952 4.120 -0.002 0.000 0.250 399 V C -0.574 175.584 176.094 0.107 0.000 1.060 399 V CA 2.260 64.668 62.300 0.182 0.000 1.042 399 V CB -1.232 30.754 31.823 0.272 0.000 0.650 399 V HN 0.587 nan 8.190 nan 0.000 0.450 400 P HA -0.153 nan 4.420 nan 0.000 0.221 400 P C 1.615 178.835 177.300 -0.134 0.000 1.150 400 P CA 1.298 64.316 63.100 -0.137 0.000 0.800 400 P CB -0.110 31.302 31.700 -0.481 0.000 0.787 401 F N 1.414 121.216 119.950 -0.246 0.000 2.098 401 F HA -0.131 4.395 4.527 -0.002 0.000 0.294 401 F C 1.672 177.353 175.800 -0.198 0.000 1.107 401 F CA 1.586 59.391 58.000 -0.324 0.000 1.234 401 F CB -0.694 38.043 39.000 -0.438 0.000 1.002 401 F HN -0.224 nan 8.300 nan 0.000 0.472 402 D N 0.751 121.092 120.400 -0.099 0.000 2.081 402 D HA -0.123 4.516 4.640 -0.002 0.000 0.194 402 D C 0.931 177.107 176.300 -0.206 0.000 0.986 402 D CA 2.135 56.031 54.000 -0.173 0.000 0.837 402 D CB -0.854 40.032 40.800 0.145 0.000 0.985 402 D HN 0.274 nan 8.370 nan 0.000 0.448 403 V N -0.977 118.880 119.914 -0.095 0.000 2.204 403 V HA 0.240 4.358 4.120 -0.002 0.000 0.264 403 V C -2.181 173.834 176.094 -0.131 0.000 1.106 403 V CA -1.441 60.793 62.300 -0.111 0.000 0.947 403 V CB 1.206 33.015 31.823 -0.022 0.000 1.164 403 V HN -0.185 nan 8.190 nan 0.000 0.461 404 P HA -0.160 nan 4.420 nan 0.000 0.215 404 P C 1.665 178.807 177.300 -0.263 0.000 1.153 404 P CA 1.821 64.805 63.100 -0.193 0.000 0.853 404 P CB 0.331 31.919 31.700 -0.186 0.000 0.788 405 E N 0.248 120.075 120.200 -0.623 0.000 2.012 405 E HA -0.230 4.118 4.350 -0.002 0.000 0.197 405 E C 1.653 178.174 176.600 -0.130 0.000 1.007 405 E CA 1.436 57.510 56.400 -0.544 0.000 0.816 405 E CB -1.597 27.760 29.700 -0.572 0.000 0.762 405 E HN 0.283 nan 8.360 nan 0.000 0.451 406 N N 2.101 120.756 118.700 -0.075 0.000 2.104 406 N HA -0.153 4.586 4.740 -0.002 0.000 0.190 406 N C 1.913 177.527 175.510 0.173 0.000 1.024 406 N CA 1.856 54.955 53.050 0.082 0.000 0.853 406 N CB -0.746 37.817 38.487 0.126 0.000 1.008 406 N HN 0.354 nan 8.380 nan 0.000 0.424 407 A N 1.107 124.014 122.820 0.144 0.000 1.859 407 A HA -0.144 4.174 4.320 -0.002 0.000 0.217 407 A C 2.139 179.859 177.584 0.226 0.000 1.198 407 A CA 1.408 53.586 52.037 0.235 0.000 0.629 407 A CB -1.004 18.207 19.000 0.352 0.000 0.830 407 A HN 0.248 nan 8.150 nan 0.000 0.446 408 L N -0.047 121.327 121.223 0.251 0.000 2.046 408 L HA -0.101 4.238 4.340 -0.002 0.000 0.208 408 L C 2.567 179.452 176.870 0.026 0.000 1.077 408 L CA 2.360 57.246 54.840 0.076 0.000 0.747 408 L CB -1.180 40.974 42.059 0.159 0.000 0.896 408 L HN 0.356 nan 8.230 nan 0.000 0.432 409 S N -0.730 115.030 115.700 0.100 0.000 2.369 409 S HA -0.292 4.177 4.470 -0.002 0.000 0.225 409 S C 1.985 176.722 174.600 0.228 0.000 1.043 409 S CA 2.116 60.393 58.200 0.128 0.000 1.074 409 S CB -0.411 62.854 63.200 0.108 0.000 0.962 409 S HN 0.611 nan 8.310 nan 0.000 0.433 410 M N 0.889 120.661 119.600 0.287 0.000 2.175 410 M HA -0.085 4.394 4.480 -0.002 0.000 0.264 410 M C 1.867 178.127 176.300 -0.066 0.000 1.063 410 M CA 1.348 56.715 55.300 0.111 0.000 1.119 410 M CB -0.354 32.127 32.600 -0.199 0.000 1.377 410 M HN 0.199 nan 8.290 nan 0.000 0.415 411 V N 1.913 121.725 119.914 -0.171 0.000 2.222 411 V HA -0.338 3.780 4.120 -0.002 0.000 0.240 411 V C 1.944 177.921 176.094 -0.195 0.000 1.040 411 V CA 2.494 64.565 62.300 -0.382 0.000 0.988 411 V CB -1.114 30.123 31.823 -0.977 0.000 0.633 411 V HN 0.583 nan 8.190 nan 0.000 0.452 412 N N -0.162 118.456 118.700 -0.136 0.000 2.060 412 N HA -0.313 4.425 4.740 -0.002 0.000 0.195 412 N C 1.889 177.447 175.510 0.081 0.000 1.028 412 N CA 1.766 54.843 53.050 0.045 0.000 0.861 412 N CB -0.271 38.277 38.487 0.103 0.000 1.029 412 N HN 0.703 nan 8.380 nan 0.000 0.428 413 E N 0.772 121.010 120.200 0.063 0.000 2.097 413 E HA -0.248 4.100 4.350 -0.002 0.000 0.196 413 E C 1.882 178.499 176.600 0.029 0.000 1.000 413 E CA 1.145 57.585 56.400 0.066 0.000 0.804 413 E CB -0.257 29.525 29.700 0.137 0.000 0.740 413 E HN 0.545 nan 8.360 nan 0.000 0.454 414 W N 1.036 122.259 121.300 -0.129 0.000 2.407 414 W HA -0.127 4.532 4.660 -0.001 0.000 0.305 414 W C 2.166 178.539 176.519 -0.243 0.000 1.196 414 W CA 1.161 58.414 57.345 -0.152 0.000 1.311 414 W CB -0.762 28.631 29.460 -0.111 0.000 1.135 414 W HN 0.104 nan 8.180 nan 0.000 0.514 415 I N 1.147 121.703 120.570 -0.023 0.000 2.208 415 I HA -0.291 3.878 4.170 -0.002 0.000 0.245 415 I C 2.473 178.272 176.117 -0.530 0.000 1.097 415 I CA 2.256 63.405 61.300 -0.251 0.000 1.363 415 I CB -1.113 36.641 38.000 -0.409 0.000 1.051 415 I HN 0.155 nan 8.210 nan 0.000 0.413 416 H N -0.264 118.645 119.070 -0.267 0.000 2.315 416 H HA 0.218 4.773 4.556 -0.002 0.000 0.318 416 H C 2.295 177.402 175.328 -0.367 0.000 1.068 416 H CA 0.826 56.714 56.048 -0.267 0.000 1.465 416 H CB -1.217 28.457 29.762 -0.146 0.000 1.475 416 H HN 0.430 nan 8.280 nan 0.000 0.597 417 G N 0.765 109.477 108.800 -0.147 0.000 3.190 417 G HA2 -0.136 3.823 3.960 -0.002 0.000 0.211 417 G HA3 -0.136 3.823 3.960 -0.002 0.000 0.211 417 G C 0.927 175.658 174.900 -0.281 0.000 1.139 417 G CA 1.096 46.095 45.100 -0.169 0.000 0.718 417 G HN 0.786 nan 8.290 nan 0.000 0.618 418 G N -0.746 107.753 108.800 -0.502 0.000 2.401 418 G HA2 -0.061 3.897 3.960 -0.002 0.000 0.283 418 G HA3 -0.061 3.897 3.960 -0.002 0.000 0.283 418 G C 0.328 174.952 174.900 -0.459 0.000 1.117 418 G CA -0.185 44.635 45.100 -0.467 0.000 1.051 418 G HN 0.992 nan 8.290 nan 0.000 0.510 419 F N -1.199 118.398 119.950 -0.588 0.000 2.863 419 F HA -0.169 4.357 4.527 -0.002 0.000 0.223 419 F C 1.270 176.603 175.800 -0.778 0.000 1.034 419 F CA 1.743 59.051 58.000 -1.153 0.000 0.805 419 F CB -1.784 36.632 39.000 -0.974 0.000 0.658 419 F HN 1.337 nan 8.300 nan 0.000 0.815 420 S N -0.931 114.585 115.700 -0.308 0.000 2.550 420 S HA 0.903 5.371 4.470 -0.002 0.000 0.270 420 S C -0.819 173.817 174.600 0.060 0.000 1.145 420 S CA -1.100 57.085 58.200 -0.025 0.000 0.852 420 S CB 2.302 65.488 63.200 -0.022 0.000 1.119 420 S HN 0.236 nan 8.310 nan 0.000 0.465 421 L N 0.000 121.286 121.223 0.104 0.000 2.949 421 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 421 L CA 0.000 54.899 54.840 0.099 0.000 0.813 421 L CB 0.000 41.998 42.059 -0.102 0.000 0.961 421 L HN 0.000 nan 8.230 nan 0.000 0.502