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 1nw1_1_B DATA FIRST_RESID 40 DATA SEQUENCE MDLDTDANTI PELKERAHML CARFLGGAWK TVPLEHLRIS RIKGGMSNML DATA SEQUENCE FLCRLSEVYP PIRNEPNKVL LRVYFNPETE SHLVAESVIF TLLSERHLGP DATA SEQUENCE KLYGIFSGGR LEEYIPSRPL SCHEISLAHM STKIAKRVAK VHQLEVPIWK DATA SEQUENCE EPDYLCEALQ RWLKQLTGTV DAEHRFDLPE ECGVSSVNCL DLARELEFLR DATA SEQUENCE AHISLSKSPV TFCHNDLQEG NILLPKXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXRLVL IDFEYASYNY RAFDFANHFI EWTIDYDIDE APFYKIQTEN DATA SEQUENCE FPENDQMLEF FLNYLREQGN TRENELYKKS EDLVQETLPF VPVSHFFWGV DATA SEQUENCE WGLLQVELSP VGFGFADYGR DRLSLYFKHK QLLKNLA 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 40 M HA 0.000 nan 4.480 nan 0.000 0.227 40 M C 0.000 176.315 176.300 0.025 0.000 1.140 40 M CA 0.000 55.326 55.300 0.043 0.000 0.988 40 M CB 0.000 32.649 32.600 0.082 0.000 1.302 41 D N -1.284 119.130 120.400 0.023 0.000 2.738 41 D HA 0.506 5.146 4.640 -0.000 0.000 0.308 41 D C 0.445 176.737 176.300 -0.013 0.000 1.311 41 D CA -0.289 53.707 54.000 -0.006 0.000 0.799 41 D CB 0.520 41.317 40.800 -0.004 0.000 1.332 41 D HN 0.501 nan 8.370 nan 0.000 0.441 42 L N -0.327 120.868 121.223 -0.046 0.000 2.197 42 L HA -0.021 4.319 4.340 -0.000 0.000 0.215 42 L C 1.437 178.298 176.870 -0.016 0.000 1.095 42 L CA 2.700 57.510 54.840 -0.050 0.000 0.764 42 L CB -1.237 40.776 42.059 -0.077 0.000 0.897 42 L HN 0.570 nan 8.230 nan 0.000 0.436 43 D N -2.333 118.067 120.400 -0.000 0.000 2.469 43 D HA 0.201 4.840 4.640 -0.000 0.000 0.215 43 D C 0.516 176.830 176.300 0.023 0.000 1.154 43 D CA 0.374 54.381 54.000 0.012 0.000 0.832 43 D CB 0.143 40.949 40.800 0.011 0.000 1.008 43 D HN 0.505 nan 8.370 nan 0.000 0.506 44 T N 1.502 116.074 114.554 0.031 0.000 2.867 44 T HA -0.046 4.304 4.350 -0.000 0.000 0.297 44 T C 0.222 174.954 174.700 0.054 0.000 0.989 44 T CA 0.007 62.131 62.100 0.040 0.000 1.159 44 T CB 0.995 69.892 68.868 0.048 0.000 0.928 44 T HN -0.044 nan 8.240 nan 0.000 0.538 45 D N 2.452 122.876 120.400 0.041 0.000 2.342 45 D HA 0.180 4.820 4.640 -0.000 0.000 0.260 45 D C 1.224 177.552 176.300 0.047 0.000 1.278 45 D CA -0.308 53.717 54.000 0.042 0.000 0.910 45 D CB 0.763 41.578 40.800 0.024 0.000 1.079 45 D HN 0.589 nan 8.370 nan 0.000 0.496 46 A N 5.199 128.066 122.820 0.080 0.000 1.948 46 A HA -0.264 4.055 4.320 -0.000 0.000 0.220 46 A C 1.946 179.529 177.584 -0.002 0.000 1.177 46 A CA 1.168 53.242 52.037 0.063 0.000 0.636 46 A CB -0.296 18.788 19.000 0.140 0.000 0.815 46 A HN 0.664 nan 8.150 nan 0.000 0.449 47 N N -0.217 118.488 118.700 0.009 0.000 2.272 47 N HA -0.130 4.610 4.740 -0.000 0.000 0.185 47 N C 1.664 177.164 175.510 -0.016 0.000 1.014 47 N CA 1.907 54.952 53.050 -0.008 0.000 0.870 47 N CB -0.482 38.003 38.487 -0.003 0.000 0.975 47 N HN 0.758 nan 8.380 nan 0.000 0.433 48 T N -1.750 112.799 114.554 -0.008 0.000 3.148 48 T HA 0.128 4.477 4.350 -0.000 0.000 0.253 48 T C 0.720 175.411 174.700 -0.015 0.000 1.134 48 T CA 0.016 62.109 62.100 -0.010 0.000 1.051 48 T CB -0.025 68.842 68.868 -0.002 0.000 0.959 48 T HN -0.092 nan 8.240 nan 0.000 0.525 49 I N 3.940 124.496 120.570 -0.024 0.000 2.347 49 I HA 0.288 4.458 4.170 -0.000 0.000 0.283 49 I C -1.387 174.703 176.117 -0.045 0.000 1.058 49 I CA -3.126 58.156 61.300 -0.031 0.000 1.202 49 I CB 0.847 38.826 38.000 -0.035 0.000 1.386 49 I HN -0.013 nan 8.210 nan 0.000 0.475 50 P HA -0.244 nan 4.420 nan 0.000 0.214 50 P C 1.303 178.575 177.300 -0.047 0.000 1.163 50 P CA 1.483 64.558 63.100 -0.041 0.000 0.889 50 P CB 0.553 32.232 31.700 -0.035 0.000 0.790 51 E N -0.636 119.539 120.200 -0.041 0.000 2.118 51 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 51 E C 2.095 178.661 176.600 -0.057 0.000 0.992 51 E CA 0.722 57.097 56.400 -0.040 0.000 0.804 51 E CB -0.426 29.258 29.700 -0.027 0.000 0.741 51 E HN 0.039 nan 8.360 nan 0.000 0.458 52 L N 1.382 122.558 121.223 -0.080 0.000 2.056 52 L HA -0.108 4.231 4.340 -0.000 0.000 0.207 52 L C 2.204 178.988 176.870 -0.144 0.000 1.078 52 L CA 1.887 56.642 54.840 -0.142 0.000 0.749 52 L CB -0.441 41.492 42.059 -0.211 0.000 0.901 52 L HN -0.047 nan 8.230 nan 0.000 0.433 53 K N -0.500 119.839 120.400 -0.102 0.000 2.097 53 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 53 K C 1.933 178.527 176.600 -0.009 0.000 1.049 53 K CA 1.796 58.049 56.287 -0.058 0.000 0.933 53 K CB -0.029 32.449 32.500 -0.038 0.000 0.717 53 K HN 0.529 nan 8.250 nan 0.000 0.442 54 E N -0.252 119.930 120.200 -0.030 0.000 2.072 54 E HA -0.181 4.168 4.350 -0.000 0.000 0.191 54 E C 2.182 178.786 176.600 0.007 0.000 0.985 54 E CA 0.838 57.226 56.400 -0.020 0.000 0.801 54 E CB 0.011 29.679 29.700 -0.052 0.000 0.750 54 E HN 0.189 nan 8.360 nan 0.000 0.452 55 R N 0.604 121.085 120.500 -0.030 0.000 2.081 55 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 55 R C 2.290 178.557 176.300 -0.054 0.000 1.131 55 R CA 1.326 57.398 56.100 -0.047 0.000 0.960 55 R CB -0.209 30.053 30.300 -0.065 0.000 0.856 55 R HN 0.125 nan 8.270 nan 0.000 0.436 56 A N 0.063 122.850 122.820 -0.055 0.000 1.898 56 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 56 A C 2.018 179.612 177.584 0.017 0.000 1.181 56 A CA 1.530 53.537 52.037 -0.049 0.000 0.620 56 A CB -0.821 18.137 19.000 -0.069 0.000 0.819 56 A HN 0.427 nan 8.150 nan 0.000 0.442 57 H N -0.704 118.357 119.070 -0.014 0.000 2.352 57 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 57 H C 2.000 177.339 175.328 0.019 0.000 1.097 57 H CA 2.031 58.100 56.048 0.036 0.000 1.311 57 H CB -0.211 29.559 29.762 0.014 0.000 1.377 57 H HN 0.403 nan 8.280 nan 0.000 0.504 58 M N 0.639 120.339 119.600 0.166 0.000 2.067 58 M HA -0.143 4.336 4.480 -0.000 0.000 0.260 58 M C 2.391 178.685 176.300 -0.011 0.000 1.069 58 M CA 1.228 56.576 55.300 0.080 0.000 1.117 58 M CB -0.789 31.824 32.600 0.021 0.000 1.334 58 M HN 0.310 nan 8.290 nan 0.000 0.407 59 L N -0.203 120.989 121.223 -0.052 0.000 2.012 59 L HA -0.314 4.026 4.340 -0.000 0.000 0.210 59 L C 2.672 179.554 176.870 0.020 0.000 1.073 59 L CA 1.513 56.329 54.840 -0.040 0.000 0.748 59 L CB -0.913 41.030 42.059 -0.194 0.000 0.891 59 L HN 0.416 nan 8.230 nan 0.000 0.431 60 C N -0.520 118.719 119.300 -0.101 0.000 2.429 60 C HA -0.126 4.334 4.460 -0.000 0.000 0.277 60 C C 3.140 178.032 174.990 -0.163 0.000 1.262 60 C CA 0.616 59.471 59.018 -0.272 0.000 1.733 60 C CB -1.061 26.437 27.740 -0.403 0.000 2.010 60 C HN 0.625 nan 8.230 nan 0.000 0.483 61 A N 0.740 123.527 122.820 -0.054 0.000 1.877 61 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 61 A C 2.255 179.822 177.584 -0.027 0.000 1.186 61 A CA 1.398 53.441 52.037 0.010 0.000 0.620 61 A CB -0.409 18.605 19.000 0.023 0.000 0.822 61 A HN 0.542 nan 8.150 nan 0.000 0.443 62 R N -1.556 118.891 120.500 -0.088 0.000 2.092 62 R HA -0.010 4.329 4.340 -0.000 0.000 0.231 62 R C 1.567 177.675 176.300 -0.320 0.000 1.119 62 R CA 1.174 57.141 56.100 -0.221 0.000 0.970 62 R CB -0.783 29.317 30.300 -0.334 0.000 0.864 62 R HN 0.608 nan 8.270 nan 0.000 0.440 63 F N -0.231 119.678 119.950 -0.068 0.000 2.619 63 F HA 0.171 4.697 4.527 -0.000 0.000 0.293 63 F C 2.051 177.809 175.800 -0.070 0.000 1.119 63 F CA 0.501 58.474 58.000 -0.045 0.000 1.445 63 F CB 0.105 39.087 39.000 -0.031 0.000 1.119 63 F HN -0.152 nan 8.300 nan 0.000 0.573 64 L N -1.763 119.456 121.223 -0.007 0.000 2.500 64 L HA 0.414 4.754 4.340 -0.000 0.000 0.219 64 L C 1.517 178.417 176.870 0.049 0.000 1.057 64 L CA 0.392 55.176 54.840 -0.093 0.000 0.854 64 L CB -0.789 40.952 42.059 -0.529 0.000 1.078 64 L HN 0.185 nan 8.230 nan 0.000 0.480 65 G N 0.305 109.149 108.800 0.074 0.000 2.601 65 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.261 65 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.261 65 G C 0.607 175.620 174.900 0.188 0.000 1.289 65 G CA -0.058 45.106 45.100 0.108 0.000 0.920 65 G HN 0.797 nan 8.290 nan 0.000 0.571 66 G N -1.301 107.575 108.800 0.126 0.000 2.596 66 G HA2 0.122 4.082 3.960 -0.000 0.000 0.295 66 G HA3 0.122 4.082 3.960 -0.000 0.000 0.295 66 G C 1.783 176.732 174.900 0.082 0.000 1.240 66 G CA 2.524 47.690 45.100 0.110 0.000 0.985 66 G HN 2.544 nan 8.290 nan 0.000 0.555 67 A N -1.226 121.605 122.820 0.018 0.000 2.024 67 A HA 0.039 4.359 4.320 -0.000 0.000 0.220 67 A C 2.090 179.569 177.584 -0.174 0.000 1.164 67 A CA 2.237 54.216 52.037 -0.097 0.000 0.643 67 A CB -0.620 18.259 19.000 -0.200 0.000 0.806 67 A HN 0.852 nan 8.150 nan 0.000 0.451 68 W N -0.088 121.168 121.300 -0.073 0.000 2.465 68 W HA -0.004 4.656 4.660 -0.000 0.000 0.268 68 W C 2.221 178.621 176.519 -0.199 0.000 1.242 68 W CA 1.271 58.518 57.345 -0.164 0.000 1.248 68 W CB 0.043 29.407 29.460 -0.160 0.000 1.118 68 W HN 0.261 nan 8.180 nan 0.000 0.587 69 K N 0.016 120.477 120.400 0.102 0.000 2.103 69 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 69 K C 1.818 178.475 176.600 0.094 0.000 1.052 69 K CA 1.782 58.119 56.287 0.082 0.000 0.945 69 K CB -0.119 32.425 32.500 0.072 0.000 0.722 69 K HN 0.163 nan 8.250 nan 0.000 0.443 70 T N -2.243 112.339 114.554 0.046 0.000 3.054 70 T HA 0.153 4.503 4.350 -0.000 0.000 0.255 70 T C 0.443 175.112 174.700 -0.052 0.000 1.035 70 T CA -0.451 61.668 62.100 0.032 0.000 0.941 70 T CB 0.375 69.263 68.868 0.033 0.000 1.026 70 T HN -0.051 nan 8.240 nan 0.000 0.533 71 V N 4.155 123.996 119.914 -0.122 0.000 2.540 71 V HA 0.260 4.380 4.120 -0.000 0.000 0.297 71 V C -2.363 173.625 176.094 -0.177 0.000 1.024 71 V CA -1.815 60.256 62.300 -0.381 0.000 1.105 71 V CB 0.577 32.181 31.823 -0.365 0.000 0.938 71 V HN 0.228 nan 8.190 nan 0.000 0.482 72 P HA 0.128 nan 4.420 nan 0.000 0.269 72 P C 0.944 178.219 177.300 -0.042 0.000 1.215 72 P CA -0.025 62.987 63.100 -0.147 0.000 0.780 72 P CB 0.565 32.206 31.700 -0.098 0.000 0.898 73 L N 1.485 122.673 121.223 -0.059 0.000 2.043 73 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 73 L C 2.532 179.390 176.870 -0.021 0.000 1.075 73 L CA 2.336 57.160 54.840 -0.026 0.000 0.752 73 L CB -0.916 41.087 42.059 -0.094 0.000 0.891 73 L HN 0.468 nan 8.230 nan 0.000 0.432 74 E N -2.006 118.158 120.200 -0.060 0.000 2.268 74 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 74 E C 1.637 178.099 176.600 -0.230 0.000 0.995 74 E CA 1.172 57.492 56.400 -0.134 0.000 0.836 74 E CB -0.809 28.792 29.700 -0.165 0.000 0.763 74 E HN 0.644 nan 8.360 nan 0.000 0.491 75 H N -0.690 118.338 119.070 -0.071 0.000 2.539 75 H HA 0.366 4.922 4.556 -0.000 0.000 0.269 75 H C 0.191 175.471 175.328 -0.080 0.000 0.980 75 H CA 0.094 56.103 56.048 -0.065 0.000 1.152 75 H CB 0.574 30.262 29.762 -0.125 0.000 1.407 75 H HN 0.265 nan 8.280 nan 0.000 0.564 76 L N 1.387 122.620 121.223 0.016 0.000 2.262 76 L HA 0.454 4.794 4.340 -0.000 0.000 0.288 76 L C 0.243 177.134 176.870 0.034 0.000 1.035 76 L CA -0.615 54.242 54.840 0.029 0.000 0.820 76 L CB 0.587 42.713 42.059 0.112 0.000 1.204 76 L HN 0.003 nan 8.230 nan 0.000 0.424 77 R N 5.722 126.244 120.500 0.036 0.000 2.312 77 R HA 0.781 5.121 4.340 -0.000 0.000 0.311 77 R C -0.913 175.421 176.300 0.058 0.000 1.004 77 R CA -0.218 55.901 56.100 0.032 0.000 0.902 77 R CB 0.515 30.827 30.300 0.019 0.000 1.073 77 R HN 0.771 nan 8.270 nan 0.000 0.457 78 I N 1.561 122.159 120.570 0.045 0.000 2.465 78 I HA 0.438 4.607 4.170 -0.000 0.000 0.291 78 I C -0.471 175.697 176.117 0.084 0.000 1.014 78 I CA -0.866 60.472 61.300 0.064 0.000 1.093 78 I CB 2.621 40.629 38.000 0.014 0.000 1.267 78 I HN 0.640 nan 8.210 nan 0.000 0.431 79 S N 4.573 120.346 115.700 0.121 0.000 2.557 79 S HA 0.505 4.975 4.470 -0.000 0.000 0.291 79 S C -0.500 174.208 174.600 0.181 0.000 1.116 79 S CA -0.730 57.538 58.200 0.114 0.000 0.992 79 S CB 1.989 65.209 63.200 0.035 0.000 1.028 79 S HN 0.525 nan 8.310 nan 0.000 0.484 80 R N 2.637 123.243 120.500 0.178 0.000 2.442 80 R HA 0.362 4.702 4.340 -0.000 0.000 0.291 80 R C -0.756 175.518 176.300 -0.043 0.000 1.069 80 R CA 0.165 56.297 56.100 0.054 0.000 1.022 80 R CB -0.066 30.268 30.300 0.057 0.000 0.976 80 R HN 0.605 nan 8.270 nan 0.000 0.443 81 I N 3.882 124.374 120.570 -0.129 0.000 2.493 81 I HA 0.276 4.446 4.170 -0.000 0.000 0.298 81 I C 0.246 176.307 176.117 -0.092 0.000 0.998 81 I CA -1.055 60.204 61.300 -0.069 0.000 1.137 81 I CB 1.881 39.868 38.000 -0.023 0.000 1.310 81 I HN 0.635 nan 8.210 nan 0.000 0.445 82 K N 3.225 123.600 120.400 -0.042 0.000 2.326 82 K HA 0.516 4.836 4.320 -0.000 0.000 0.275 82 K C -0.127 176.444 176.600 -0.050 0.000 1.018 82 K CA -0.001 56.258 56.287 -0.046 0.000 0.962 82 K CB 1.023 33.515 32.500 -0.014 0.000 0.953 82 K HN 0.919 nan 8.250 nan 0.000 0.475 83 G N 1.389 110.144 108.800 -0.075 0.000 2.548 83 G HA2 0.429 4.389 3.960 -0.000 0.000 0.301 83 G HA3 0.429 4.389 3.960 -0.000 0.000 0.301 83 G C -0.639 174.187 174.900 -0.123 0.000 1.349 83 G CA -0.645 44.405 45.100 -0.082 0.000 0.792 83 G HN 0.768 nan 8.290 nan 0.000 0.481 84 G N -0.354 108.360 108.800 -0.144 0.000 2.664 84 G HA2 0.443 4.403 3.960 -0.000 0.000 0.242 84 G HA3 0.443 4.403 3.960 -0.000 0.000 0.242 84 G C 1.364 176.119 174.900 -0.241 0.000 1.225 84 G CA 0.294 45.243 45.100 -0.252 0.000 0.849 84 G HN 1.037 nan 8.290 nan 0.000 0.581 85 M N 0.244 119.599 119.600 -0.408 0.000 2.632 85 M HA 0.038 4.517 4.480 -0.000 0.000 0.256 85 M C 1.510 177.921 176.300 0.185 0.000 1.080 85 M CA 1.502 56.635 55.300 -0.278 0.000 1.084 85 M CB -0.797 31.268 32.600 -0.893 0.000 1.439 85 M HN 0.275 nan 8.290 nan 0.000 0.509 86 S N 2.108 117.931 115.700 0.205 0.000 2.461 86 S HA 0.048 4.518 4.470 -0.000 0.000 0.228 86 S C 0.649 175.412 174.600 0.271 0.000 1.005 86 S CA 0.646 59.136 58.200 0.483 0.000 0.942 86 S CB -0.302 63.223 63.200 0.542 0.000 0.776 86 S HN 0.856 nan 8.310 nan 0.000 0.514 87 N N -0.862 117.841 118.700 0.006 0.000 2.610 87 N HA 0.439 5.179 4.740 -0.000 0.000 0.264 87 N C -1.582 173.851 175.510 -0.128 0.000 1.348 87 N CA -0.823 52.068 53.050 -0.265 0.000 0.819 87 N CB 1.079 38.999 38.487 -0.945 0.000 1.521 87 N HN -0.052 nan 8.380 nan 0.000 0.497 88 M N 1.718 121.237 119.600 -0.135 0.000 2.227 88 M HA 0.412 4.892 4.480 -0.000 0.000 0.335 88 M C -1.216 174.833 176.300 -0.418 0.000 1.053 88 M CA -0.652 54.523 55.300 -0.209 0.000 0.973 88 M CB 1.814 34.403 32.600 -0.018 0.000 1.623 88 M HN 0.380 nan 8.290 nan 0.000 0.434 89 L N 3.655 124.556 121.223 -0.537 0.000 2.322 89 L HA 0.638 4.978 4.340 -0.000 0.000 0.281 89 L C -1.362 175.135 176.870 -0.621 0.000 1.014 89 L CA -0.510 54.077 54.840 -0.423 0.000 0.815 89 L CB 1.256 43.192 42.059 -0.205 0.000 1.247 89 L HN 0.535 nan 8.230 nan 0.000 0.421 90 F N 3.296 123.251 119.950 0.007 0.000 2.507 90 F HA 0.394 4.921 4.527 -0.000 0.000 0.328 90 F C -0.268 175.525 175.800 -0.012 0.000 1.136 90 F CA -0.666 57.336 58.000 0.003 0.000 0.930 90 F CB 1.835 40.845 39.000 0.015 0.000 1.166 90 F HN 0.189 nan 8.300 nan 0.000 0.436 91 L N 4.574 125.869 121.223 0.120 0.000 2.278 91 L HA 0.532 4.871 4.340 -0.000 0.000 0.287 91 L C -0.784 176.121 176.870 0.057 0.000 1.072 91 L CA -0.144 54.694 54.840 -0.004 0.000 0.819 91 L CB 0.032 41.972 42.059 -0.198 0.000 1.176 91 L HN 0.704 nan 8.230 nan 0.000 0.435 92 C N 5.898 125.246 119.300 0.080 0.000 2.355 92 C HA 0.866 5.325 4.460 -0.000 0.000 0.332 92 C C 0.032 175.194 174.990 0.286 0.000 1.255 92 C CA -0.760 58.354 59.018 0.161 0.000 1.792 92 C CB 0.737 28.550 27.740 0.122 0.000 2.300 92 C HN 0.945 nan 8.230 nan 0.000 0.515 93 R N 2.346 123.013 120.500 0.279 0.000 2.668 93 R HA 0.721 5.061 4.340 -0.000 0.000 0.272 93 R C -2.034 174.253 176.300 -0.021 0.000 1.019 93 R CA -0.751 55.475 56.100 0.210 0.000 0.894 93 R CB 0.735 31.088 30.300 0.089 0.000 1.228 93 R HN 0.627 nan 8.270 nan 0.000 0.460 94 L N 2.657 123.730 121.223 -0.251 0.000 2.326 94 L HA 0.297 4.637 4.340 -0.000 0.000 0.278 94 L C 0.791 177.604 176.870 -0.094 0.000 1.092 94 L CA -0.646 53.989 54.840 -0.341 0.000 0.810 94 L CB 1.633 43.347 42.059 -0.576 0.000 1.153 94 L HN 0.921 nan 8.230 nan 0.000 0.439 95 S N 1.355 117.066 115.700 0.019 0.000 2.589 95 S HA 0.012 4.482 4.470 -0.000 0.000 0.265 95 S C 1.103 175.746 174.600 0.071 0.000 1.342 95 S CA -0.458 57.804 58.200 0.104 0.000 1.005 95 S CB 0.840 64.218 63.200 0.296 0.000 0.909 95 S HN 0.743 nan 8.310 nan 0.000 0.555 96 E N 0.717 120.949 120.200 0.054 0.000 2.401 96 E HA -0.103 4.247 4.350 -0.000 0.000 0.199 96 E C 1.517 178.095 176.600 -0.037 0.000 1.023 96 E CA 0.897 57.301 56.400 0.006 0.000 0.859 96 E CB -0.913 28.791 29.700 0.007 0.000 0.780 96 E HN 0.486 nan 8.360 nan 0.000 0.523 97 V N -0.245 119.659 119.914 -0.017 0.000 2.871 97 V HA -0.140 3.979 4.120 -0.000 0.000 0.256 97 V C 0.450 176.225 176.094 -0.533 0.000 1.082 97 V CA 1.090 63.245 62.300 -0.241 0.000 1.105 97 V CB -0.752 30.909 31.823 -0.270 0.000 0.713 97 V HN 0.178 nan 8.190 nan 0.000 0.473 98 Y N 0.944 121.132 120.300 -0.186 0.000 2.562 98 Y HA 0.399 4.949 4.550 -0.000 0.000 0.363 98 Y C -2.225 173.550 175.900 -0.208 0.000 0.991 98 Y CA -3.107 54.870 58.100 -0.205 0.000 1.121 98 Y CB 0.262 38.578 38.460 -0.239 0.000 1.159 98 Y HN 0.176 nan 8.280 nan 0.000 0.651 99 P HA 0.122 nan 4.420 nan 0.000 0.272 99 P C -2.596 174.651 177.300 -0.088 0.000 1.240 99 P CA -1.436 61.612 63.100 -0.086 0.000 0.791 99 P CB 0.652 32.312 31.700 -0.066 0.000 0.978 100 P HA 0.051 nan 4.420 nan 0.000 0.266 100 P C 0.835 178.129 177.300 -0.010 0.000 1.195 100 P CA 0.384 63.464 63.100 -0.033 0.000 0.768 100 P CB -0.001 31.717 31.700 0.030 0.000 0.838 101 I N -0.537 120.036 120.570 0.005 0.000 3.883 101 I HA 0.284 4.454 4.170 -0.000 0.000 0.326 101 I C 0.771 176.904 176.117 0.026 0.000 1.283 101 I CA 0.272 61.578 61.300 0.009 0.000 1.161 101 I CB 0.017 38.023 38.000 0.010 0.000 1.012 101 I HN 0.231 nan 8.210 nan 0.000 0.421 102 R N 0.369 120.896 120.500 0.045 0.000 2.892 102 R HA 0.366 4.706 4.340 -0.000 0.000 0.093 102 R C 0.292 176.632 176.300 0.068 0.000 0.584 102 R CA -0.558 55.574 56.100 0.053 0.000 0.395 102 R CB -0.085 30.251 30.300 0.059 0.000 0.346 102 R HN -0.039 nan 8.270 nan 0.000 0.322 103 N N 1.960 120.711 118.700 0.084 0.000 2.236 103 N HA -0.011 4.729 4.740 -0.000 0.000 0.196 103 N C -0.647 174.942 175.510 0.132 0.000 1.114 103 N CA 0.210 53.320 53.050 0.101 0.000 0.859 103 N CB 0.471 39.017 38.487 0.098 0.000 0.982 103 N HN 0.373 nan 8.380 nan 0.000 0.493 104 E N 2.630 122.914 120.200 0.140 0.000 2.383 104 E HA 0.176 4.526 4.350 -0.000 0.000 0.264 104 E C -2.496 174.219 176.600 0.191 0.000 1.050 104 E CA -1.432 55.070 56.400 0.169 0.000 0.896 104 E CB 0.686 30.540 29.700 0.256 0.000 0.982 104 E HN 0.007 nan 8.360 nan 0.000 0.424 105 P HA 0.040 nan 4.420 nan 0.000 0.274 105 P C -0.120 177.389 177.300 0.348 0.000 1.237 105 P CA -0.260 62.946 63.100 0.177 0.000 0.793 105 P CB 0.467 32.185 31.700 0.030 0.000 0.977 106 N N 0.308 119.155 118.700 0.245 0.000 2.412 106 N HA -0.025 4.715 4.740 -0.000 0.000 0.184 106 N C 0.042 175.742 175.510 0.316 0.000 1.101 106 N CA 0.269 53.427 53.050 0.181 0.000 0.881 106 N CB -0.143 38.386 38.487 0.070 0.000 0.969 106 N HN 0.445 nan 8.380 nan 0.000 0.459 107 K N -1.576 119.050 120.400 0.378 0.000 2.546 107 K HA 0.657 4.977 4.320 -0.000 0.000 0.264 107 K C -1.888 174.817 176.600 0.175 0.000 0.937 107 K CA -1.080 55.405 56.287 0.329 0.000 0.833 107 K CB 2.297 34.900 32.500 0.172 0.000 1.378 107 K HN -0.151 nan 8.250 nan 0.000 0.432 108 V N 2.243 122.193 119.914 0.060 0.000 3.147 108 V HA 0.538 4.658 4.120 -0.000 0.000 0.306 108 V C -1.940 174.171 176.094 0.028 0.000 1.209 108 V CA -1.031 61.247 62.300 -0.038 0.000 1.023 108 V CB 2.259 33.869 31.823 -0.356 0.000 1.059 108 V HN 0.774 nan 8.190 nan 0.000 0.435 109 L N 5.223 126.505 121.223 0.098 0.000 2.272 109 L HA 0.666 5.006 4.340 -0.000 0.000 0.289 109 L C -0.885 176.033 176.870 0.080 0.000 1.032 109 L CA -0.186 54.722 54.840 0.114 0.000 0.810 109 L CB 1.319 43.492 42.059 0.189 0.000 1.205 109 L HN 0.704 nan 8.230 nan 0.000 0.422 110 L N 6.116 127.403 121.223 0.106 0.000 2.257 110 L HA 0.551 4.891 4.340 -0.000 0.000 0.290 110 L C -0.559 176.392 176.870 0.136 0.000 1.044 110 L CA 0.010 54.939 54.840 0.149 0.000 0.810 110 L CB 0.610 42.789 42.059 0.200 0.000 1.193 110 L HN 0.621 nan 8.230 nan 0.000 0.425 111 R N 4.571 125.117 120.500 0.077 0.000 2.338 111 R HA 0.698 5.038 4.340 -0.000 0.000 0.317 111 R C -1.271 174.980 176.300 -0.080 0.000 0.968 111 R CA -0.892 55.172 56.100 -0.061 0.000 0.849 111 R CB 1.931 32.198 30.300 -0.055 0.000 1.128 111 R HN 0.453 nan 8.270 nan 0.000 0.448 112 V N 4.264 124.039 119.914 -0.232 0.000 2.448 112 V HA 0.404 4.524 4.120 -0.000 0.000 0.295 112 V C -0.900 174.744 176.094 -0.751 0.000 1.025 112 V CA -0.794 61.346 62.300 -0.266 0.000 0.859 112 V CB 1.045 32.838 31.823 -0.051 0.000 0.988 112 V HN 0.599 nan 8.190 nan 0.000 0.431 113 Y N 3.077 123.016 120.300 -0.601 0.000 2.587 113 Y HA 0.641 5.191 4.550 -0.000 0.000 0.337 113 Y C 0.062 175.373 175.900 -0.982 0.000 1.065 113 Y CA -0.939 56.786 58.100 -0.625 0.000 1.126 113 Y CB 1.694 40.008 38.460 -0.245 0.000 1.279 113 Y HN 0.540 nan 8.280 nan 0.000 0.489 114 F N -0.298 119.778 119.950 0.210 0.000 2.791 114 F HA 0.298 4.825 4.527 -0.000 0.000 0.316 114 F C -0.180 175.642 175.800 0.037 0.000 1.134 114 F CA -0.875 57.172 58.000 0.078 0.000 1.222 114 F CB 0.079 39.067 39.000 -0.020 0.000 1.034 114 F HN 0.330 nan 8.300 nan 0.000 0.516 115 N N 3.553 122.366 118.700 0.189 0.000 2.499 115 N HA 0.230 4.970 4.740 -0.000 0.000 0.281 115 N C -2.441 173.160 175.510 0.151 0.000 1.098 115 N CA -1.149 52.000 53.050 0.165 0.000 0.979 115 N CB 0.794 39.453 38.487 0.287 0.000 1.121 115 N HN -0.021 nan 8.380 nan 0.000 0.466 116 P HA 0.118 nan 4.420 nan 0.000 0.267 116 P C -0.258 177.146 177.300 0.173 0.000 1.205 116 P CA 0.128 63.322 63.100 0.156 0.000 0.765 116 P CB 0.205 32.004 31.700 0.165 0.000 0.828 117 E N 2.030 122.295 120.200 0.108 0.000 2.301 117 E HA 0.525 4.875 4.350 -0.000 0.000 0.275 117 E C 0.416 177.052 176.600 0.059 0.000 1.030 117 E CA -0.581 55.865 56.400 0.076 0.000 0.852 117 E CB 0.510 30.237 29.700 0.044 0.000 1.060 117 E HN 0.660 nan 8.360 nan 0.000 0.401 118 T N -2.972 111.604 114.554 0.037 0.000 2.907 118 T HA 0.670 5.019 4.350 -0.000 0.000 0.290 118 T C 1.334 176.028 174.700 -0.010 0.000 1.066 118 T CA 0.332 62.437 62.100 0.010 0.000 1.012 118 T CB 1.155 70.016 68.868 -0.011 0.000 1.184 118 T HN 0.763 nan 8.240 nan 0.000 0.522 119 E N 0.948 121.135 120.200 -0.022 0.000 2.012 119 E HA -0.145 4.204 4.350 -0.000 0.000 0.197 119 E C 2.384 178.958 176.600 -0.044 0.000 1.007 119 E CA 2.284 58.666 56.400 -0.029 0.000 0.816 119 E CB -1.376 28.303 29.700 -0.035 0.000 0.762 119 E HN 0.764 nan 8.360 nan 0.000 0.451 120 S N -0.827 114.832 115.700 -0.069 0.000 2.387 120 S HA -0.238 4.232 4.470 -0.000 0.000 0.230 120 S C 2.173 176.734 174.600 -0.065 0.000 1.035 120 S CA 2.490 60.638 58.200 -0.086 0.000 1.014 120 S CB -0.902 62.211 63.200 -0.145 0.000 0.836 120 S HN 0.998 nan 8.310 nan 0.000 0.466 121 H N 0.695 119.736 119.070 -0.048 0.000 2.326 121 H HA 0.196 4.752 4.556 -0.000 0.000 0.301 121 H C 2.247 177.528 175.328 -0.078 0.000 1.081 121 H CA 1.523 57.543 56.048 -0.047 0.000 1.334 121 H CB -0.833 28.927 29.762 -0.004 0.000 1.385 121 H HN 0.495 nan 8.280 nan 0.000 0.504 122 L N 0.263 121.454 121.223 -0.053 0.000 2.012 122 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 122 L C 2.837 179.669 176.870 -0.064 0.000 1.073 122 L CA 1.398 56.208 54.840 -0.051 0.000 0.748 122 L CB -0.404 41.644 42.059 -0.019 0.000 0.891 122 L HN 0.433 nan 8.230 nan 0.000 0.431 123 V N 0.041 119.922 119.914 -0.055 0.000 2.261 123 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 123 V C 2.771 178.814 176.094 -0.084 0.000 1.047 123 V CA 1.886 64.154 62.300 -0.052 0.000 1.015 123 V CB -1.001 30.802 31.823 -0.033 0.000 0.642 123 V HN 0.488 nan 8.190 nan 0.000 0.446 124 A N 0.003 122.767 122.820 -0.094 0.000 1.883 124 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 124 A C 2.352 179.790 177.584 -0.244 0.000 1.186 124 A CA 2.688 54.654 52.037 -0.118 0.000 0.624 124 A CB -0.970 17.975 19.000 -0.092 0.000 0.822 124 A HN 0.637 nan 8.150 nan 0.000 0.444 125 E N -0.363 119.637 120.200 -0.333 0.000 2.077 125 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 125 E C 2.185 178.392 176.600 -0.655 0.000 0.989 125 E CA 1.856 57.846 56.400 -0.683 0.000 0.800 125 E CB -1.139 28.244 29.700 -0.528 0.000 0.746 125 E HN 0.661 nan 8.360 nan 0.000 0.452 126 S N 0.010 115.557 115.700 -0.255 0.000 2.368 126 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 126 S C 2.307 176.840 174.600 -0.113 0.000 1.030 126 S CA 1.267 59.411 58.200 -0.093 0.000 0.999 126 S CB -0.233 62.947 63.200 -0.035 0.000 0.844 126 S HN 0.430 nan 8.310 nan 0.000 0.459 127 V N 2.191 122.020 119.914 -0.142 0.000 2.261 127 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 127 V C 2.094 178.084 176.094 -0.173 0.000 1.047 127 V CA 1.659 63.884 62.300 -0.126 0.000 1.015 127 V CB -0.709 31.050 31.823 -0.106 0.000 0.642 127 V HN 0.424 nan 8.190 nan 0.000 0.446 128 I N -0.854 119.561 120.570 -0.258 0.000 2.127 128 I HA -0.245 3.925 4.170 -0.000 0.000 0.241 128 I C 2.374 178.379 176.117 -0.187 0.000 1.075 128 I CA 1.776 62.906 61.300 -0.283 0.000 1.334 128 I CB -0.513 37.301 38.000 -0.311 0.000 1.040 128 I HN 0.196 nan 8.210 nan 0.000 0.405 129 F N 0.956 120.831 119.950 -0.125 0.000 2.126 129 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 129 F C 2.775 178.481 175.800 -0.157 0.000 1.096 129 F CA 1.489 59.404 58.000 -0.140 0.000 1.255 129 F CB -1.881 37.045 39.000 -0.122 0.000 0.997 129 F HN 0.048 nan 8.300 nan 0.000 0.479 130 T N 0.829 115.407 114.554 0.040 0.000 2.777 130 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 130 T C 2.257 176.905 174.700 -0.088 0.000 1.040 130 T CA 1.157 63.236 62.100 -0.036 0.000 1.141 130 T CB -0.666 68.180 68.868 -0.037 0.000 0.868 130 T HN 0.251 nan 8.240 nan 0.000 0.444 131 L N 0.644 121.799 121.223 -0.113 0.000 2.017 131 L HA -0.047 4.292 4.340 -0.000 0.000 0.208 131 L C 2.258 179.031 176.870 -0.162 0.000 1.073 131 L CA 1.423 56.175 54.840 -0.146 0.000 0.745 131 L CB -0.342 41.602 42.059 -0.193 0.000 0.894 131 L HN 0.243 nan 8.230 nan 0.000 0.432 132 L N -0.925 120.190 121.223 -0.180 0.000 2.046 132 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 132 L C 2.812 179.582 176.870 -0.166 0.000 1.077 132 L CA 1.434 56.156 54.840 -0.196 0.000 0.747 132 L CB -0.760 41.149 42.059 -0.250 0.000 0.896 132 L HN 0.350 nan 8.230 nan 0.000 0.432 133 S N -0.395 115.209 115.700 -0.160 0.000 2.348 133 S HA -0.190 4.280 4.470 -0.000 0.000 0.221 133 S C 1.963 176.382 174.600 -0.302 0.000 1.033 133 S CA 1.288 59.357 58.200 -0.218 0.000 1.010 133 S CB -0.124 62.956 63.200 -0.200 0.000 0.891 133 S HN 0.359 nan 8.310 nan 0.000 0.442 134 E N 0.935 121.000 120.200 -0.224 0.000 2.118 134 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 134 E C 2.021 178.514 176.600 -0.178 0.000 0.992 134 E CA 0.917 57.191 56.400 -0.209 0.000 0.804 134 E CB -0.263 29.366 29.700 -0.118 0.000 0.741 134 E HN 0.562 nan 8.360 nan 0.000 0.458 135 R N -0.224 120.204 120.500 -0.120 0.000 2.320 135 R HA 0.060 4.400 4.340 -0.000 0.000 0.211 135 R C -0.244 176.113 176.300 0.096 0.000 0.931 135 R CA -0.022 56.079 56.100 0.001 0.000 1.071 135 R CB -0.156 30.122 30.300 -0.037 0.000 1.025 135 R HN 0.266 nan 8.270 nan 0.000 0.495 136 H N -0.723 118.311 119.070 -0.061 0.000 2.770 136 H HA -0.136 4.420 4.556 -0.000 0.000 0.309 136 H C 0.282 175.583 175.328 -0.046 0.000 1.206 136 H CA 0.628 56.646 56.048 -0.050 0.000 1.147 136 H CB -1.729 28.011 29.762 -0.036 0.000 1.422 136 H HN 0.220 nan 8.280 nan 0.000 0.420 137 L N -1.094 120.125 121.223 -0.006 0.000 2.693 137 L HA 0.425 4.765 4.340 -0.000 0.000 0.235 137 L C 1.455 178.311 176.870 -0.023 0.000 1.127 137 L CA 0.538 55.368 54.840 -0.016 0.000 0.914 137 L CB 0.716 42.736 42.059 -0.065 0.000 1.193 137 L HN 0.499 nan 8.230 nan 0.000 0.502 138 G N -0.442 108.336 108.800 -0.036 0.000 2.550 138 G HA2 0.376 4.336 3.960 -0.000 0.000 0.293 138 G HA3 0.376 4.336 3.960 -0.000 0.000 0.293 138 G C -3.030 171.842 174.900 -0.047 0.000 1.402 138 G CA -0.642 44.447 45.100 -0.018 0.000 0.784 138 G HN -0.314 nan 8.290 nan 0.000 0.482 139 P HA 0.152 nan 4.420 nan 0.000 0.267 139 P C -0.343 176.871 177.300 -0.143 0.000 1.200 139 P CA -0.089 62.972 63.100 -0.066 0.000 0.772 139 P CB 1.012 32.687 31.700 -0.041 0.000 0.855 140 K N 2.008 122.293 120.400 -0.192 0.000 2.489 140 K HA 0.045 4.365 4.320 -0.000 0.000 0.278 140 K C -0.118 176.193 176.600 -0.481 0.000 1.000 140 K CA -0.420 55.651 56.287 -0.359 0.000 1.012 140 K CB 0.030 32.265 32.500 -0.441 0.000 0.903 140 K HN 0.314 nan 8.250 nan 0.000 0.485 141 L N 5.255 126.222 121.223 -0.428 0.000 2.326 141 L HA 0.161 4.501 4.340 -0.000 0.000 0.278 141 L C -0.549 176.043 176.870 -0.463 0.000 1.092 141 L CA 0.347 54.978 54.840 -0.350 0.000 0.810 141 L CB 0.738 42.681 42.059 -0.193 0.000 1.153 141 L HN 0.742 nan 8.230 nan 0.000 0.439 142 Y N 3.078 123.313 120.300 -0.107 0.000 2.526 142 Y HA 0.612 5.162 4.550 -0.000 0.000 0.265 142 Y C 1.061 176.896 175.900 -0.109 0.000 1.092 142 Y CA -0.009 58.042 58.100 -0.081 0.000 1.277 142 Y CB 0.714 39.115 38.460 -0.099 0.000 1.228 142 Y HN 0.669 nan 8.280 nan 0.000 0.507 143 G N 0.002 108.713 108.800 -0.148 0.000 2.473 143 G HA2 0.485 4.445 3.960 -0.000 0.000 0.298 143 G HA3 0.485 4.445 3.960 -0.000 0.000 0.298 143 G C -1.893 172.681 174.900 -0.544 0.000 1.575 143 G CA -0.749 44.035 45.100 -0.526 0.000 0.846 143 G HN -0.070 nan 8.290 nan 0.000 0.585 144 I N 1.176 121.512 120.570 -0.390 0.000 2.465 144 I HA 0.672 4.842 4.170 -0.000 0.000 0.291 144 I C -0.375 175.721 176.117 -0.035 0.000 1.014 144 I CA -0.900 60.260 61.300 -0.234 0.000 1.093 144 I CB 1.809 39.777 38.000 -0.054 0.000 1.267 144 I HN 0.573 nan 8.210 nan 0.000 0.431 145 F N 2.153 122.067 119.950 -0.059 0.000 2.706 145 F HA 0.575 5.102 4.527 -0.000 0.000 0.328 145 F C 0.117 175.955 175.800 0.063 0.000 1.123 145 F CA -1.457 56.593 58.000 0.084 0.000 0.978 145 F CB 1.072 40.168 39.000 0.159 0.000 1.404 145 F HN 0.242 nan 8.300 nan 0.000 0.497 146 S N 0.637 116.522 115.700 0.309 0.000 2.506 146 S HA 0.403 4.873 4.470 -0.000 0.000 0.291 146 S C 0.949 175.638 174.600 0.149 0.000 1.230 146 S CA 0.811 59.112 58.200 0.169 0.000 1.107 146 S CB -0.975 62.336 63.200 0.185 0.000 0.942 146 S HN 2.068 nan 8.310 nan 0.000 0.502 147 G N 2.999 111.780 108.800 -0.031 0.000 2.137 147 G HA2 0.058 4.018 3.960 -0.000 0.000 0.237 147 G HA3 0.058 4.018 3.960 -0.000 0.000 0.237 147 G C 0.540 175.330 174.900 -0.184 0.000 1.002 147 G CA -0.154 44.917 45.100 -0.048 0.000 0.702 147 G HN 1.602 nan 8.290 nan 0.000 0.515 148 G N -1.191 107.221 108.800 -0.647 0.000 2.322 148 G HA2 0.843 4.803 3.960 -0.000 0.000 0.295 148 G HA3 0.843 4.803 3.960 -0.000 0.000 0.295 148 G C -0.875 173.146 174.900 -1.466 0.000 1.369 148 G CA 0.286 44.863 45.100 -0.872 0.000 0.821 148 G HN 1.507 nan 8.290 nan 0.000 0.536 149 R N -1.407 118.654 120.500 -0.731 0.000 2.733 149 R HA 0.765 5.105 4.340 -0.000 0.000 0.272 149 R C -1.858 174.401 176.300 -0.068 0.000 1.029 149 R CA -1.086 54.751 56.100 -0.439 0.000 0.888 149 R CB 1.093 31.145 30.300 -0.414 0.000 1.251 149 R HN 0.508 nan 8.270 nan 0.000 0.464 150 L N 1.526 122.701 121.223 -0.080 0.000 2.333 150 L HA 0.544 4.883 4.340 -0.000 0.000 0.280 150 L C -0.413 176.470 176.870 0.022 0.000 1.004 150 L CA -0.522 54.315 54.840 -0.006 0.000 0.820 150 L CB 1.833 43.866 42.059 -0.043 0.000 1.247 150 L HN 0.849 nan 8.230 nan 0.000 0.416 151 E N 1.676 121.924 120.200 0.081 0.000 2.456 151 E HA 0.343 4.693 4.350 -0.000 0.000 0.276 151 E C -1.222 175.526 176.600 0.247 0.000 0.981 151 E CA -1.035 55.426 56.400 0.101 0.000 0.814 151 E CB 1.781 31.438 29.700 -0.071 0.000 1.382 151 E HN 0.488 nan 8.360 nan 0.000 0.459 152 E N 0.776 121.095 120.200 0.198 0.000 2.414 152 E HA -0.044 4.306 4.350 -0.000 0.000 0.263 152 E C -1.356 175.357 176.600 0.188 0.000 1.000 152 E CA -0.361 56.201 56.400 0.270 0.000 0.914 152 E CB 0.464 30.248 29.700 0.140 0.000 0.948 152 E HN 0.513 nan 8.360 nan 0.000 0.444 153 Y N 5.466 125.832 120.300 0.111 0.000 2.336 153 Y HA 0.345 4.895 4.550 -0.000 0.000 0.335 153 Y C -0.734 175.208 175.900 0.070 0.000 1.046 153 Y CA -0.604 57.541 58.100 0.075 0.000 1.198 153 Y CB 0.514 39.019 38.460 0.076 0.000 1.182 153 Y HN 0.398 nan 8.280 nan 0.000 0.502 154 I N 9.562 129.738 120.570 -0.656 0.000 2.355 154 I HA 0.315 4.485 4.170 -0.000 0.000 0.288 154 I C -2.321 173.354 176.117 -0.736 0.000 0.999 154 I CA -2.262 58.733 61.300 -0.509 0.000 1.163 154 I CB 1.451 39.317 38.000 -0.224 0.000 1.316 154 I HN 0.544 nan 8.210 nan 0.000 0.454 155 P HA 0.103 nan 4.420 nan 0.000 0.267 155 P C -0.496 176.714 177.300 -0.150 0.000 1.209 155 P CA 0.317 63.262 63.100 -0.258 0.000 0.763 155 P CB 0.633 32.314 31.700 -0.031 0.000 0.816 156 S N 2.405 118.048 115.700 -0.095 0.000 2.654 156 S HA 0.674 5.144 4.470 -0.000 0.000 0.267 156 S C -1.408 173.187 174.600 -0.008 0.000 1.151 156 S CA -1.187 56.984 58.200 -0.047 0.000 0.873 156 S CB 1.470 64.629 63.200 -0.069 0.000 1.181 156 S HN 0.595 nan 8.310 nan 0.000 0.489 157 R N -0.075 120.425 120.500 -0.001 0.000 2.651 157 R HA 0.769 5.109 4.340 -0.000 0.000 0.278 157 R C -3.376 172.929 176.300 0.008 0.000 1.010 157 R CA -1.720 54.388 56.100 0.013 0.000 0.896 157 R CB 2.078 32.390 30.300 0.021 0.000 1.211 157 R HN 0.528 nan 8.270 nan 0.000 0.456 158 P HA 0.201 nan 4.420 nan 0.000 0.278 158 P C -0.470 176.835 177.300 0.009 0.000 1.266 158 P CA -0.627 62.478 63.100 0.009 0.000 0.807 158 P CB 1.088 32.796 31.700 0.014 0.000 1.094 159 L N 0.625 121.848 121.223 0.000 0.000 2.439 159 L HA 0.227 4.567 4.340 -0.000 0.000 0.261 159 L C 1.453 178.325 176.870 0.004 0.000 1.153 159 L CA -0.324 54.510 54.840 -0.010 0.000 0.808 159 L CB 0.670 42.707 42.059 -0.037 0.000 1.126 159 L HN 0.515 nan 8.230 nan 0.000 0.460 160 S N -0.459 115.243 115.700 0.003 0.000 2.669 160 S HA 0.052 4.521 4.470 -0.000 0.000 0.270 160 S C 1.008 175.604 174.600 -0.006 0.000 1.225 160 S CA -0.719 57.495 58.200 0.024 0.000 0.991 160 S CB 1.291 64.518 63.200 0.045 0.000 0.987 160 S HN 0.838 nan 8.310 nan 0.000 0.552 161 C N 0.748 120.055 119.300 0.012 0.000 2.413 161 C HA -0.159 4.301 4.460 -0.000 0.000 0.276 161 C C 2.536 177.466 174.990 -0.100 0.000 1.248 161 C CA 1.667 60.664 59.018 -0.035 0.000 1.742 161 C CB -2.010 25.721 27.740 -0.015 0.000 2.017 161 C HN 1.045 nan 8.230 nan 0.000 0.481 162 H N 0.246 119.241 119.070 -0.125 0.000 2.389 162 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 162 H C 2.110 177.306 175.328 -0.220 0.000 1.081 162 H CA 2.055 58.009 56.048 -0.157 0.000 1.345 162 H CB -0.317 29.393 29.762 -0.086 0.000 1.393 162 H HN 0.652 nan 8.280 nan 0.000 0.520 163 E N 0.621 120.703 120.200 -0.197 0.000 2.153 163 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 163 E C 2.360 178.726 176.600 -0.391 0.000 0.988 163 E CA 1.239 57.486 56.400 -0.256 0.000 0.811 163 E CB -0.116 29.518 29.700 -0.111 0.000 0.746 163 E HN 0.700 nan 8.360 nan 0.000 0.466 164 I N -0.928 119.388 120.570 -0.423 0.000 3.176 164 I HA -0.073 4.097 4.170 -0.000 0.000 0.275 164 I C 2.003 177.533 176.117 -0.977 0.000 1.298 164 I CA 1.009 62.017 61.300 -0.486 0.000 1.445 164 I CB -0.109 37.689 38.000 -0.337 0.000 1.075 164 I HN -0.063 nan 8.210 nan 0.000 0.482 165 S N 0.797 115.781 115.700 -1.193 0.000 2.524 165 S HA 0.290 4.760 4.470 -0.000 0.000 0.216 165 S C 0.790 174.938 174.600 -0.752 0.000 0.987 165 S CA -0.450 56.782 58.200 -1.613 0.000 0.909 165 S CB -0.469 62.009 63.200 -1.203 0.000 0.781 165 S HN 0.409 nan 8.310 nan 0.000 0.521 166 L N 1.977 122.872 121.223 -0.547 0.000 2.410 166 L HA 0.345 4.684 4.340 -0.000 0.000 0.273 166 L C 1.820 178.608 176.870 -0.138 0.000 1.152 166 L CA -0.207 54.476 54.840 -0.261 0.000 0.855 166 L CB 0.493 42.444 42.059 -0.181 0.000 1.129 166 L HN 0.279 nan 8.230 nan 0.000 0.463 167 A N 3.510 126.351 122.820 0.034 0.000 1.884 167 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 167 A C 2.152 179.789 177.584 0.088 0.000 1.197 167 A CA 2.185 54.273 52.037 0.086 0.000 0.637 167 A CB -0.873 18.190 19.000 0.105 0.000 0.827 167 A HN 0.984 nan 8.150 nan 0.000 0.450 168 H N -1.887 117.173 119.070 -0.017 0.000 2.421 168 H HA -0.025 4.531 4.556 -0.000 0.000 0.298 168 H C 1.780 177.098 175.328 -0.016 0.000 1.087 168 H CA 1.600 57.640 56.048 -0.013 0.000 1.330 168 H CB -0.679 29.074 29.762 -0.015 0.000 1.388 168 H HN 0.387 nan 8.280 nan 0.000 0.526 169 M N 0.603 119.843 119.600 -0.600 0.000 2.248 169 M HA -0.038 4.441 4.480 -0.000 0.000 0.265 169 M C 2.580 178.793 176.300 -0.145 0.000 1.079 169 M CA 0.945 56.003 55.300 -0.402 0.000 1.150 169 M CB -0.695 31.616 32.600 -0.482 0.000 1.366 169 M HN 0.326 nan 8.290 nan 0.000 0.433 170 S N 0.063 115.720 115.700 -0.072 0.000 2.383 170 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 170 S C 1.924 176.579 174.600 0.092 0.000 1.030 170 S CA 2.017 60.311 58.200 0.158 0.000 1.002 170 S CB -0.169 63.208 63.200 0.296 0.000 0.829 170 S HN 0.482 nan 8.310 nan 0.000 0.467 171 T N 1.960 116.521 114.554 0.012 0.000 2.720 171 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 171 T C 1.808 176.452 174.700 -0.093 0.000 1.037 171 T CA 1.388 63.459 62.100 -0.049 0.000 1.144 171 T CB -0.220 68.645 68.868 -0.006 0.000 0.864 171 T HN 0.469 nan 8.240 nan 0.000 0.444 172 K N 0.410 120.772 120.400 -0.064 0.000 2.097 172 K HA 0.052 4.372 4.320 -0.000 0.000 0.205 172 K C 2.239 178.791 176.600 -0.079 0.000 1.050 172 K CA 1.019 57.267 56.287 -0.064 0.000 0.938 172 K CB -0.286 32.185 32.500 -0.050 0.000 0.718 172 K HN 0.349 nan 8.250 nan 0.000 0.442 173 I N 1.151 121.684 120.570 -0.063 0.000 2.179 173 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 173 I C 2.565 178.597 176.117 -0.142 0.000 1.088 173 I CA 1.091 62.359 61.300 -0.053 0.000 1.357 173 I CB -0.483 37.550 38.000 0.055 0.000 1.051 173 I HN 0.134 nan 8.210 nan 0.000 0.409 174 A N 1.086 123.675 122.820 -0.386 0.000 1.892 174 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 174 A C 2.318 179.733 177.584 -0.283 0.000 1.188 174 A CA 1.963 53.508 52.037 -0.820 0.000 0.631 174 A CB -0.548 17.724 19.000 -1.214 0.000 0.822 174 A HN 0.365 nan 8.150 nan 0.000 0.447 175 K N -1.192 119.087 120.400 -0.201 0.000 2.148 175 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 175 K C 2.260 178.807 176.600 -0.088 0.000 1.050 175 K CA 0.972 57.182 56.287 -0.127 0.000 0.942 175 K CB -0.136 32.306 32.500 -0.096 0.000 0.724 175 K HN 0.219 nan 8.250 nan 0.000 0.446 176 R N 0.668 121.126 120.500 -0.070 0.000 2.075 176 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 176 R C 2.301 178.589 176.300 -0.021 0.000 1.126 176 R CA 0.875 56.956 56.100 -0.030 0.000 0.963 176 R CB -0.889 29.397 30.300 -0.024 0.000 0.858 176 R HN 0.055 nan 8.270 nan 0.000 0.435 177 V N 1.397 121.287 119.914 -0.040 0.000 2.407 177 V HA -0.196 3.923 4.120 -0.000 0.000 0.248 177 V C 2.530 178.573 176.094 -0.085 0.000 1.055 177 V CA 1.711 63.970 62.300 -0.068 0.000 1.049 177 V CB -0.889 30.950 31.823 0.026 0.000 0.662 177 V HN 0.291 nan 8.190 nan 0.000 0.455 178 A N -0.314 122.473 122.820 -0.055 0.000 1.940 178 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 178 A C 2.301 179.805 177.584 -0.134 0.000 1.176 178 A CA 1.659 53.492 52.037 -0.341 0.000 0.631 178 A CB -0.371 18.336 19.000 -0.487 0.000 0.814 178 A HN 0.400 nan 8.150 nan 0.000 0.446 179 K N -0.332 120.036 120.400 -0.055 0.000 2.062 179 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 179 K C 2.017 178.676 176.600 0.099 0.000 1.051 179 K CA 1.206 57.500 56.287 0.011 0.000 0.941 179 K CB -0.988 31.520 32.500 0.014 0.000 0.719 179 K HN 0.342 nan 8.250 nan 0.000 0.440 180 V N 1.192 121.195 119.914 0.148 0.000 2.332 180 V HA -0.244 3.875 4.120 -0.000 0.000 0.248 180 V C 1.960 178.293 176.094 0.399 0.000 1.055 180 V CA 1.705 64.192 62.300 0.313 0.000 1.038 180 V CB -0.681 31.353 31.823 0.351 0.000 0.651 180 V HN 0.425 nan 8.190 nan 0.000 0.450 181 H N -0.880 118.296 119.070 0.177 0.000 2.561 181 H HA -0.065 4.491 4.556 -0.000 0.000 0.278 181 H C 2.040 177.439 175.328 0.118 0.000 1.014 181 H CA 0.546 56.683 56.048 0.149 0.000 1.211 181 H CB 0.248 30.145 29.762 0.225 0.000 1.365 181 H HN 0.530 nan 8.280 nan 0.000 0.594 182 Q N 0.296 120.216 119.800 0.201 0.000 2.319 182 Q HA 0.156 4.496 4.340 -0.000 0.000 0.209 182 Q C 0.007 176.058 176.000 0.085 0.000 0.884 182 Q CA -0.206 55.664 55.803 0.112 0.000 0.938 182 Q CB 0.803 29.572 28.738 0.051 0.000 1.098 182 Q HN 0.388 nan 8.270 nan 0.000 0.517 183 L N 1.777 123.058 121.223 0.098 0.000 2.453 183 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 183 L C 0.343 177.191 176.870 -0.037 0.000 1.182 183 L CA 0.248 55.081 54.840 -0.012 0.000 0.858 183 L CB 0.459 42.460 42.059 -0.097 0.000 1.120 183 L HN 0.109 nan 8.230 nan 0.000 0.474 184 E N 3.276 123.443 120.200 -0.055 0.000 2.081 184 E HA 0.388 4.738 4.350 -0.000 0.000 0.276 184 E C -1.496 175.049 176.600 -0.092 0.000 0.950 184 E CA -0.561 55.841 56.400 0.004 0.000 0.776 184 E CB 1.284 30.982 29.700 -0.002 0.000 1.094 184 E HN 0.307 nan 8.360 nan 0.000 0.402 185 V N 6.815 126.693 119.914 -0.060 0.000 2.495 185 V HA 0.338 4.458 4.120 -0.000 0.000 0.298 185 V C -2.042 174.052 176.094 0.001 0.000 1.031 185 V CA -1.776 60.420 62.300 -0.172 0.000 0.871 185 V CB 1.703 33.205 31.823 -0.534 0.000 0.988 185 V HN 0.686 nan 8.190 nan 0.000 0.432 186 P HA 0.242 nan 4.420 nan 0.000 0.235 186 P C -0.545 176.755 177.300 0.002 0.000 1.765 186 P CA 0.386 63.466 63.100 -0.033 0.000 1.034 186 P CB -0.309 31.362 31.700 -0.049 0.000 1.984 187 I N -4.136 116.468 120.570 0.057 0.000 3.264 187 I HA 0.512 4.682 4.170 -0.000 0.000 0.315 187 I C -0.303 175.891 176.117 0.128 0.000 1.154 187 I CA -1.847 59.526 61.300 0.121 0.000 0.962 187 I CB 1.821 39.928 38.000 0.178 0.000 1.265 187 I HN -0.024 nan 8.210 nan 0.000 0.463 188 W N 3.249 124.531 121.300 -0.030 0.000 2.476 188 W HA 0.010 4.669 4.660 -0.000 0.000 0.338 188 W C 0.242 176.665 176.519 -0.159 0.000 1.328 188 W CA 0.264 57.563 57.345 -0.077 0.000 1.300 188 W CB 0.780 30.221 29.460 -0.032 0.000 1.252 188 W HN 0.673 nan 8.180 nan 0.000 0.568 189 K N 3.354 123.452 120.400 -0.504 0.000 2.400 189 K HA 0.015 4.335 4.320 -0.000 0.000 0.194 189 K C 0.369 176.727 176.600 -0.403 0.000 1.033 189 K CA 0.506 56.365 56.287 -0.713 0.000 1.021 189 K CB 0.299 32.354 32.500 -0.742 0.000 0.808 189 K HN 0.385 nan 8.250 nan 0.000 0.505 190 E N 2.037 122.020 120.200 -0.361 0.000 2.301 190 E HA 0.104 4.454 4.350 -0.000 0.000 0.275 190 E C -2.148 174.504 176.600 0.088 0.000 1.030 190 E CA -2.506 53.812 56.400 -0.136 0.000 0.852 190 E CB 0.848 30.481 29.700 -0.111 0.000 1.060 190 E HN -0.063 nan 8.360 nan 0.000 0.401 191 P HA 0.072 nan 4.420 nan 0.000 0.238 191 P C -0.335 176.973 177.300 0.014 0.000 1.714 191 P CA 0.161 63.176 63.100 -0.142 0.000 0.908 191 P CB 0.091 31.369 31.700 -0.703 0.000 1.893 192 D N -0.973 119.505 120.400 0.131 0.000 2.354 192 D HA -0.086 4.554 4.640 -0.000 0.000 0.209 192 D C 1.500 177.790 176.300 -0.016 0.000 1.015 192 D CA 0.187 54.231 54.000 0.074 0.000 0.867 192 D CB -0.194 40.666 40.800 0.099 0.000 0.933 192 D HN 0.218 nan 8.370 nan 0.000 0.520 193 Y N 2.434 122.671 120.300 -0.105 0.000 2.040 193 Y HA -0.291 4.259 4.550 -0.000 0.000 0.275 193 Y C 2.134 177.901 175.900 -0.223 0.000 1.171 193 Y CA 1.552 59.547 58.100 -0.174 0.000 1.123 193 Y CB -0.664 37.688 38.460 -0.180 0.000 0.963 193 Y HN -0.127 nan 8.280 nan 0.000 0.493 194 L N -0.918 120.008 121.223 -0.494 0.000 1.963 194 L HA -0.400 3.939 4.340 -0.000 0.000 0.220 194 L C 2.713 179.349 176.870 -0.391 0.000 1.076 194 L CA 2.020 56.497 54.840 -0.606 0.000 0.772 194 L CB -1.168 40.624 42.059 -0.445 0.000 0.892 194 L HN 0.395 nan 8.230 nan 0.000 0.435 195 C N -1.156 118.011 119.300 -0.222 0.000 2.425 195 C HA -0.173 4.287 4.460 -0.000 0.000 0.277 195 C C 3.093 177.948 174.990 -0.224 0.000 1.280 195 C CA 1.070 59.996 59.018 -0.152 0.000 1.744 195 C CB -0.599 27.100 27.740 -0.068 0.000 1.989 195 C HN 0.594 nan 8.230 nan 0.000 0.491 196 E N 0.650 120.684 120.200 -0.277 0.000 2.051 196 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 196 E C 2.170 178.511 176.600 -0.432 0.000 0.991 196 E CA 1.416 57.640 56.400 -0.293 0.000 0.799 196 E CB -0.562 28.979 29.700 -0.266 0.000 0.748 196 E HN 0.734 nan 8.360 nan 0.000 0.449 197 A N 0.589 122.997 122.820 -0.687 0.000 1.858 197 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 197 A C 2.485 179.345 177.584 -1.207 0.000 1.190 197 A CA 1.715 53.086 52.037 -1.110 0.000 0.617 197 A CB -0.853 17.251 19.000 -1.494 0.000 0.827 197 A HN 0.494 nan 8.150 nan 0.000 0.443 198 L N -0.810 119.957 121.223 -0.760 0.000 2.042 198 L HA -0.293 4.047 4.340 -0.000 0.000 0.210 198 L C 2.955 179.724 176.870 -0.169 0.000 1.076 198 L CA 2.010 56.644 54.840 -0.344 0.000 0.749 198 L CB -0.519 41.503 42.059 -0.062 0.000 0.893 198 L HN 0.619 nan 8.230 nan 0.000 0.432 199 Q N 0.004 119.699 119.800 -0.176 0.000 2.096 199 Q HA -0.271 4.068 4.340 -0.000 0.000 0.204 199 Q C 2.423 178.383 176.000 -0.066 0.000 0.982 199 Q CA 1.691 57.444 55.803 -0.083 0.000 0.850 199 Q CB -0.044 28.640 28.738 -0.090 0.000 0.901 199 Q HN 0.319 nan 8.270 nan 0.000 0.422 200 R N -0.733 119.681 120.500 -0.143 0.000 2.090 200 R HA -0.130 4.209 4.340 -0.000 0.000 0.228 200 R C 1.757 178.121 176.300 0.106 0.000 1.110 200 R CA 1.294 57.364 56.100 -0.050 0.000 0.973 200 R CB -0.174 30.069 30.300 -0.094 0.000 0.869 200 R HN 0.392 nan 8.270 nan 0.000 0.440 201 W N 1.063 122.334 121.300 -0.049 0.000 2.381 201 W HA -0.118 4.542 4.660 -0.000 0.000 0.301 201 W C 2.113 178.595 176.519 -0.062 0.000 1.205 201 W CA 0.286 57.595 57.345 -0.061 0.000 1.285 201 W CB -1.068 28.334 29.460 -0.097 0.000 1.133 201 W HN 0.126 nan 8.180 nan 0.000 0.521 202 L N 0.716 122.042 121.223 0.172 0.000 2.046 202 L HA -0.272 4.068 4.340 -0.000 0.000 0.208 202 L C 2.797 179.722 176.870 0.092 0.000 1.077 202 L CA 2.085 56.983 54.840 0.097 0.000 0.747 202 L CB -0.711 41.398 42.059 0.082 0.000 0.896 202 L HN -0.106 nan 8.230 nan 0.000 0.432 203 K N -0.230 120.218 120.400 0.081 0.000 2.032 203 K HA -0.299 4.021 4.320 -0.000 0.000 0.209 203 K C 1.984 178.626 176.600 0.072 0.000 1.048 203 K CA 2.138 58.465 56.287 0.067 0.000 0.927 203 K CB -0.472 32.057 32.500 0.047 0.000 0.712 203 K HN 0.630 nan 8.250 nan 0.000 0.441 204 Q N -0.577 119.275 119.800 0.085 0.000 2.124 204 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 204 Q C 2.215 178.249 176.000 0.057 0.000 0.977 204 Q CA 1.893 57.739 55.803 0.071 0.000 0.850 204 Q CB -0.291 28.499 28.738 0.087 0.000 0.901 204 Q HN 0.405 nan 8.270 nan 0.000 0.429 205 L N 0.426 121.688 121.223 0.064 0.000 1.989 205 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 205 L C 2.128 179.059 176.870 0.102 0.000 1.071 205 L CA 2.368 57.248 54.840 0.066 0.000 0.749 205 L CB -0.981 41.111 42.059 0.056 0.000 0.890 205 L HN 0.194 nan 8.230 nan 0.000 0.431 206 T N -0.558 114.060 114.554 0.107 0.000 2.822 206 T HA -0.136 4.214 4.350 -0.000 0.000 0.270 206 T C 1.460 176.204 174.700 0.075 0.000 1.064 206 T CA 1.239 63.405 62.100 0.110 0.000 1.131 206 T CB -0.754 68.172 68.868 0.097 0.000 0.858 206 T HN 0.619 nan 8.240 nan 0.000 0.483 207 G N 0.830 109.664 108.800 0.057 0.000 3.042 207 G HA2 0.047 4.007 3.960 -0.000 0.000 0.212 207 G HA3 0.047 4.007 3.960 -0.000 0.000 0.212 207 G C 1.452 176.366 174.900 0.023 0.000 1.166 207 G CA 0.778 45.901 45.100 0.038 0.000 0.767 207 G HN 0.604 nan 8.290 nan 0.000 0.546 208 T N -2.167 112.400 114.554 0.022 0.000 3.023 208 T HA 0.374 4.723 4.350 -0.000 0.000 0.253 208 T C 0.498 175.175 174.700 -0.038 0.000 1.038 208 T CA 0.426 62.523 62.100 -0.004 0.000 0.962 208 T CB 0.287 69.152 68.868 -0.004 0.000 1.018 208 T HN 0.463 nan 8.240 nan 0.000 0.521 209 V N -0.486 119.409 119.914 -0.031 0.000 2.962 209 V HA 0.634 4.753 4.120 -0.000 0.000 0.313 209 V C -0.930 175.137 176.094 -0.045 0.000 1.099 209 V CA -1.512 60.716 62.300 -0.119 0.000 0.971 209 V CB 1.998 33.688 31.823 -0.220 0.000 1.028 209 V HN 0.374 nan 8.190 nan 0.000 0.430 210 D N 2.685 123.051 120.400 -0.057 0.000 2.382 210 D HA 0.221 4.861 4.640 -0.000 0.000 0.240 210 D C 1.263 177.589 176.300 0.043 0.000 1.146 210 D CA 0.322 54.323 54.000 0.001 0.000 0.897 210 D CB 1.933 42.733 40.800 0.000 0.000 1.197 210 D HN 0.924 nan 8.370 nan 0.000 0.432 211 A N 1.781 124.625 122.820 0.040 0.000 1.940 211 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 211 A C 2.187 179.798 177.584 0.045 0.000 1.176 211 A CA 2.462 54.529 52.037 0.049 0.000 0.631 211 A CB -1.282 17.740 19.000 0.038 0.000 0.814 211 A HN 0.807 nan 8.150 nan 0.000 0.446 212 E N -0.640 119.580 120.200 0.034 0.000 2.511 212 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 212 E C 0.748 177.347 176.600 -0.002 0.000 1.066 212 E CA 0.596 57.005 56.400 0.014 0.000 0.871 212 E CB -0.824 28.882 29.700 0.009 0.000 0.863 212 E HN 0.844 nan 8.360 nan 0.000 0.520 213 H N 0.512 119.521 119.070 -0.102 0.000 2.815 213 H HA 0.442 4.998 4.556 -0.000 0.000 0.350 213 H C 0.080 175.246 175.328 -0.269 0.000 1.080 213 H CA 0.399 56.325 56.048 -0.203 0.000 1.433 213 H CB 0.353 29.958 29.762 -0.262 0.000 1.432 213 H HN 0.241 nan 8.280 nan 0.000 0.592 214 R N 3.902 123.829 120.500 -0.954 0.000 2.673 214 R HA 0.276 4.616 4.340 -0.000 0.000 0.281 214 R C -1.259 174.529 176.300 -0.853 0.000 0.991 214 R CA -0.865 54.844 56.100 -0.652 0.000 0.896 214 R CB 1.615 31.751 30.300 -0.274 0.000 1.201 214 R HN 0.434 nan 8.270 nan 0.000 0.457 215 F N 1.381 121.213 119.950 -0.195 0.000 2.385 215 F HA 0.239 4.766 4.527 -0.000 0.000 0.360 215 F C 0.523 176.306 175.800 -0.028 0.000 1.122 215 F CA -0.706 57.246 58.000 -0.080 0.000 1.090 215 F CB 0.960 39.979 39.000 0.032 0.000 1.150 215 F HN 0.188 nan 8.300 nan 0.000 0.472 216 D N 4.405 124.872 120.400 0.111 0.000 2.345 216 D HA 0.395 5.035 4.640 -0.000 0.000 0.247 216 D C -0.117 176.250 176.300 0.112 0.000 1.108 216 D CA 0.248 54.293 54.000 0.076 0.000 0.894 216 D CB 1.424 42.245 40.800 0.034 0.000 1.203 216 D HN 0.373 nan 8.370 nan 0.000 0.430 217 L N 2.655 123.929 121.223 0.084 0.000 2.354 217 L HA 0.376 4.716 4.340 -0.000 0.000 0.264 217 L C -2.301 174.599 176.870 0.050 0.000 1.008 217 L CA -2.114 52.781 54.840 0.091 0.000 0.819 217 L CB 2.375 44.507 42.059 0.122 0.000 1.339 217 L HN 0.110 nan 8.230 nan 0.000 0.420 218 P HA 0.054 nan 4.420 nan 0.000 0.269 218 P C 0.018 177.320 177.300 0.004 0.000 1.252 218 P CA 0.046 63.161 63.100 0.025 0.000 0.780 218 P CB 0.678 32.396 31.700 0.030 0.000 0.829 219 E N 2.363 122.555 120.200 -0.013 0.000 2.279 219 E HA -0.262 4.088 4.350 -0.000 0.000 0.205 219 E C 1.032 177.607 176.600 -0.041 0.000 1.028 219 E CA 1.605 57.984 56.400 -0.035 0.000 0.830 219 E CB -0.167 29.512 29.700 -0.035 0.000 0.736 219 E HN 0.572 nan 8.360 nan 0.000 0.478 220 E N -0.212 119.971 120.200 -0.028 0.000 2.333 220 E HA -0.196 4.154 4.350 -0.000 0.000 0.200 220 E C 2.119 178.692 176.600 -0.045 0.000 1.010 220 E CA 1.327 57.707 56.400 -0.034 0.000 0.841 220 E CB -0.621 29.065 29.700 -0.023 0.000 0.757 220 E HN 0.597 nan 8.360 nan 0.000 0.508 221 C N -2.825 116.455 119.300 -0.035 0.000 2.594 221 C HA 0.588 5.048 4.460 -0.000 0.000 0.265 221 C C 1.945 176.895 174.990 -0.067 0.000 1.351 221 C CA 0.158 59.159 59.018 -0.028 0.000 1.744 221 C CB -0.414 27.362 27.740 0.060 0.000 1.890 221 C HN 0.458 nan 8.230 nan 0.000 0.551 222 G N 0.087 108.824 108.800 -0.104 0.000 2.278 222 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.210 222 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.210 222 G C -0.177 174.588 174.900 -0.225 0.000 1.000 222 G CA 0.162 45.173 45.100 -0.147 0.000 0.635 222 G HN 0.904 nan 8.290 nan 0.000 0.495 223 V N 2.160 121.890 119.914 -0.307 0.000 2.531 223 V HA 0.587 4.707 4.120 -0.000 0.000 0.301 223 V C 1.261 177.234 176.094 -0.202 0.000 1.034 223 V CA 0.326 62.400 62.300 -0.376 0.000 0.865 223 V CB 1.602 32.922 31.823 -0.838 0.000 0.995 223 V HN 0.744 nan 8.190 nan 0.000 0.424 224 S N 2.132 117.753 115.700 -0.131 0.000 2.496 224 S HA 0.131 4.601 4.470 -0.000 0.000 0.224 224 S C 0.642 175.224 174.600 -0.030 0.000 0.996 224 S CA 0.437 58.599 58.200 -0.065 0.000 0.927 224 S CB -0.005 63.162 63.200 -0.054 0.000 0.774 224 S HN 1.273 nan 8.310 nan 0.000 0.524 225 S N -0.319 115.359 115.700 -0.036 0.000 2.597 225 S HA 0.616 5.086 4.470 -0.000 0.000 0.274 225 S C -1.198 173.430 174.600 0.047 0.000 1.132 225 S CA -0.409 57.804 58.200 0.021 0.000 0.835 225 S CB 1.215 64.412 63.200 -0.005 0.000 1.092 225 S HN 1.210 nan 8.310 nan 0.000 0.457 226 V N -0.206 119.795 119.914 0.145 0.000 3.012 226 V HA 0.895 5.015 4.120 -0.000 0.000 0.307 226 V C -0.943 175.315 176.094 0.272 0.000 1.166 226 V CA -0.887 61.536 62.300 0.204 0.000 0.974 226 V CB 1.360 33.371 31.823 0.312 0.000 1.040 226 V HN 1.285 nan 8.190 nan 0.000 0.428 227 N N 0.857 119.687 118.700 0.217 0.000 2.563 227 N HA 0.426 5.166 4.740 -0.000 0.000 0.288 227 N C 0.772 176.464 175.510 0.303 0.000 1.246 227 N CA -0.160 53.023 53.050 0.222 0.000 0.946 227 N CB 0.832 39.376 38.487 0.096 0.000 1.213 227 N HN 0.629 nan 8.380 nan 0.000 0.578 228 C N -0.659 118.828 119.300 0.311 0.000 2.411 228 C HA 0.011 4.471 4.460 -0.000 0.000 0.279 228 C C 2.523 177.625 174.990 0.187 0.000 1.288 228 C CA 0.289 59.467 59.018 0.266 0.000 1.764 228 C CB -1.581 26.303 27.740 0.240 0.000 1.974 228 C HN 0.621 nan 8.230 nan 0.000 0.498 229 L N 0.509 121.825 121.223 0.155 0.000 2.093 229 L HA -0.136 4.203 4.340 -0.000 0.000 0.208 229 L C 2.286 179.240 176.870 0.140 0.000 1.085 229 L CA 1.377 56.292 54.840 0.125 0.000 0.755 229 L CB -0.754 41.363 42.059 0.097 0.000 0.904 229 L HN 0.368 nan 8.230 nan 0.000 0.435 230 D N 0.308 120.806 120.400 0.164 0.000 2.117 230 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 230 D C 2.439 178.879 176.300 0.233 0.000 0.982 230 D CA 1.061 55.173 54.000 0.187 0.000 0.828 230 D CB -0.098 40.826 40.800 0.205 0.000 0.967 230 D HN 0.287 nan 8.370 nan 0.000 0.464 231 L N 0.955 122.331 121.223 0.254 0.000 2.079 231 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 231 L C 2.610 179.653 176.870 0.288 0.000 1.081 231 L CA 1.089 56.113 54.840 0.307 0.000 0.752 231 L CB -0.450 41.726 42.059 0.195 0.000 0.896 231 L HN -0.021 nan 8.230 nan 0.000 0.433 232 A N 0.196 123.133 122.820 0.195 0.000 1.877 232 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 232 A C 2.394 180.053 177.584 0.125 0.000 1.186 232 A CA 1.462 53.588 52.037 0.149 0.000 0.620 232 A CB -0.467 18.602 19.000 0.115 0.000 0.822 232 A HN 0.313 nan 8.150 nan 0.000 0.443 233 R N -0.529 120.047 120.500 0.126 0.000 2.091 233 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 233 R C 2.028 178.391 176.300 0.105 0.000 1.136 233 R CA 1.368 57.536 56.100 0.114 0.000 0.959 233 R CB -0.326 30.043 30.300 0.115 0.000 0.856 233 R HN 0.488 nan 8.270 nan 0.000 0.437 234 E N 0.882 121.130 120.200 0.079 0.000 2.110 234 E HA -0.179 4.170 4.350 -0.000 0.000 0.193 234 E C 1.977 178.412 176.600 -0.276 0.000 0.988 234 E CA 0.787 57.134 56.400 -0.089 0.000 0.804 234 E CB -0.258 29.325 29.700 -0.196 0.000 0.745 234 E HN 0.156 nan 8.360 nan 0.000 0.458 235 L N 1.484 122.601 121.223 -0.177 0.000 2.083 235 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 235 L C 1.978 178.831 176.870 -0.028 0.000 1.083 235 L CA 1.748 56.513 54.840 -0.126 0.000 0.752 235 L CB -0.314 41.819 42.059 0.124 0.000 0.899 235 L HN -0.119 nan 8.230 nan 0.000 0.433 236 E N -0.892 119.332 120.200 0.039 0.000 2.106 236 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 236 E C 1.961 178.616 176.600 0.092 0.000 0.984 236 E CA 1.185 57.621 56.400 0.059 0.000 0.806 236 E CB -0.491 29.253 29.700 0.075 0.000 0.750 236 E HN 0.576 nan 8.360 nan 0.000 0.458 237 F N 0.412 120.350 119.950 -0.020 0.000 2.146 237 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 237 F C 2.052 177.874 175.800 0.037 0.000 1.096 237 F CA 1.102 59.123 58.000 0.035 0.000 1.275 237 F CB -0.364 38.613 39.000 -0.039 0.000 1.008 237 F HN 0.067 nan 8.300 nan 0.000 0.480 238 L N 0.509 121.810 121.223 0.131 0.000 2.017 238 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 238 L C 2.865 179.691 176.870 -0.073 0.000 1.073 238 L CA 1.736 56.569 54.840 -0.012 0.000 0.745 238 L CB -0.579 41.390 42.059 -0.150 0.000 0.894 238 L HN 0.180 nan 8.230 nan 0.000 0.432 239 R N -0.114 120.359 120.500 -0.046 0.000 2.083 239 R HA -0.212 4.128 4.340 -0.000 0.000 0.237 239 R C 2.130 178.391 176.300 -0.064 0.000 1.137 239 R CA 1.651 57.730 56.100 -0.035 0.000 0.951 239 R CB -0.424 29.867 30.300 -0.016 0.000 0.851 239 R HN 0.513 nan 8.270 nan 0.000 0.434 240 A N -0.122 122.645 122.820 -0.089 0.000 2.019 240 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 240 A C 1.577 178.967 177.584 -0.323 0.000 1.164 240 A CA 1.598 53.530 52.037 -0.175 0.000 0.644 240 A CB -0.484 18.405 19.000 -0.184 0.000 0.805 240 A HN 0.511 nan 8.150 nan 0.000 0.449 241 H N -0.358 118.486 119.070 -0.376 0.000 2.451 241 H HA 0.121 4.677 4.556 -0.000 0.000 0.294 241 H C 2.000 177.133 175.328 -0.325 0.000 1.028 241 H CA 1.159 56.971 56.048 -0.394 0.000 1.349 241 H CB -0.216 29.190 29.762 -0.594 0.000 1.444 241 H HN 0.618 nan 8.280 nan 0.000 0.538 242 I N -0.475 119.967 120.570 -0.215 0.000 2.493 242 I HA -0.148 4.022 4.170 -0.000 0.000 0.254 242 I C 1.970 177.923 176.117 -0.273 0.000 1.160 242 I CA 1.466 62.554 61.300 -0.354 0.000 1.445 242 I CB -0.355 37.465 38.000 -0.301 0.000 1.086 242 I HN 0.150 nan 8.210 nan 0.000 0.433 243 S N 1.554 117.193 115.700 -0.102 0.000 2.507 243 S HA 0.055 4.525 4.470 -0.000 0.000 0.235 243 S C 1.775 176.361 174.600 -0.024 0.000 0.988 243 S CA 0.580 58.791 58.200 0.019 0.000 0.944 243 S CB -0.715 62.497 63.200 0.020 0.000 0.762 243 S HN 0.626 nan 8.310 nan 0.000 0.526 244 L N 1.330 122.487 121.223 -0.110 0.000 2.509 244 L HA 0.233 4.573 4.340 -0.000 0.000 0.222 244 L C 1.435 178.265 176.870 -0.065 0.000 1.123 244 L CA -0.078 54.706 54.840 -0.093 0.000 0.856 244 L CB -0.302 41.670 42.059 -0.145 0.000 0.985 244 L HN 0.286 nan 8.230 nan 0.000 0.456 245 S N 0.126 115.759 115.700 -0.112 0.000 2.562 245 S HA -0.000 4.469 4.470 -0.000 0.000 0.281 245 S C 0.998 175.633 174.600 0.058 0.000 1.333 245 S CA -0.259 57.905 58.200 -0.060 0.000 1.052 245 S CB 0.977 64.093 63.200 -0.141 0.000 0.884 245 S HN 0.098 nan 8.310 nan 0.000 0.506 246 K N 2.633 123.084 120.400 0.086 0.000 2.397 246 K HA 0.254 4.574 4.320 -0.000 0.000 0.202 246 K C 0.654 177.340 176.600 0.144 0.000 1.022 246 K CA 0.001 56.354 56.287 0.110 0.000 1.141 246 K CB 0.234 32.774 32.500 0.067 0.000 0.857 246 K HN 0.640 nan 8.250 nan 0.000 0.514 247 S N 2.956 118.771 115.700 0.192 0.000 2.525 247 S HA 0.149 4.618 4.470 -0.000 0.000 0.285 247 S C -2.482 172.242 174.600 0.207 0.000 1.283 247 S CA -1.393 56.917 58.200 0.184 0.000 1.072 247 S CB 0.202 63.494 63.200 0.154 0.000 0.867 247 S HN 0.108 nan 8.310 nan 0.000 0.492 248 P HA 0.061 nan 4.420 nan 0.000 0.266 248 P C -1.000 176.316 177.300 0.028 0.000 1.195 248 P CA -0.262 62.888 63.100 0.083 0.000 0.768 248 P CB 0.443 32.193 31.700 0.085 0.000 0.838 249 V N 3.614 123.519 119.914 -0.015 0.000 2.465 249 V HA 0.475 4.595 4.120 -0.000 0.000 0.279 249 V C 0.732 176.828 176.094 0.003 0.000 1.045 249 V CA 0.273 62.519 62.300 -0.089 0.000 0.938 249 V CB 0.898 32.636 31.823 -0.141 0.000 0.986 249 V HN 0.795 nan 8.190 nan 0.000 0.467 250 T N 1.889 116.404 114.554 -0.065 0.000 2.787 250 T HA 0.582 4.932 4.350 -0.000 0.000 0.297 250 T C -0.755 173.772 174.700 -0.289 0.000 1.221 250 T CA -0.673 61.396 62.100 -0.052 0.000 1.006 250 T CB 1.413 70.164 68.868 -0.195 0.000 1.328 250 T HN 0.270 nan 8.240 nan 0.000 0.509 251 F N 1.278 120.860 119.950 -0.613 0.000 2.495 251 F HA 0.567 5.094 4.527 -0.000 0.000 0.365 251 F C -0.262 175.339 175.800 -0.331 0.000 1.090 251 F CA -1.028 56.470 58.000 -0.837 0.000 1.235 251 F CB -0.280 38.329 39.000 -0.652 0.000 1.119 251 F HN 0.818 nan 8.300 nan 0.000 0.562 252 C N 6.398 125.141 119.300 -0.929 0.000 2.614 252 C HA 0.253 4.713 4.460 -0.000 0.000 0.320 252 C C 1.524 176.153 174.990 -0.601 0.000 1.200 252 C CA -0.568 58.128 59.018 -0.538 0.000 1.700 252 C CB 1.566 29.081 27.740 -0.374 0.000 2.275 252 C HN 0.940 nan 8.230 nan 0.000 0.492 253 H N 1.593 120.442 119.070 -0.367 0.000 2.372 253 H HA -0.026 4.530 4.556 -0.000 0.000 0.301 253 H C 0.779 175.965 175.328 -0.236 0.000 1.065 253 H CA 2.092 57.871 56.048 -0.449 0.000 1.364 253 H CB 0.219 29.685 29.762 -0.493 0.000 1.406 253 H HN 0.808 nan 8.280 nan 0.000 0.521 254 N N 0.571 119.327 118.700 0.093 0.000 2.936 254 N HA -0.211 4.529 4.740 -0.000 0.000 0.236 254 N C -0.652 175.139 175.510 0.470 0.000 0.930 254 N CA 1.501 54.717 53.050 0.276 0.000 0.966 254 N CB -1.430 37.107 38.487 0.083 0.000 1.090 254 N HN 0.550 nan 8.380 nan 0.000 0.592 255 D N 0.164 120.887 120.400 0.538 0.000 3.256 255 D HA 0.217 4.857 4.640 -0.000 0.000 0.332 255 D C -0.297 176.140 176.300 0.229 0.000 1.327 255 D CA -0.246 54.002 54.000 0.413 0.000 0.735 255 D CB -0.268 40.758 40.800 0.376 0.000 1.280 255 D HN 0.155 nan 8.370 nan 0.000 0.572 256 L N 2.105 123.362 121.223 0.057 0.000 2.803 256 L HA 0.169 4.509 4.340 -0.000 0.000 0.241 256 L C 0.864 177.771 176.870 0.061 0.000 1.404 256 L CA -0.030 54.728 54.840 -0.136 0.000 1.211 256 L CB -0.724 41.241 42.059 -0.156 0.000 1.585 256 L HN 0.281 nan 8.230 nan 0.000 0.430 257 Q N -0.903 118.902 119.800 0.008 0.000 2.260 257 Q HA 0.125 4.465 4.340 -0.000 0.000 0.238 257 Q C 1.133 177.159 176.000 0.044 0.000 0.948 257 Q CA -0.677 55.154 55.803 0.046 0.000 0.895 257 Q CB 0.785 29.521 28.738 -0.003 0.000 1.218 257 Q HN 0.282 nan 8.270 nan 0.000 0.470 258 E N 1.851 122.097 120.200 0.076 0.000 2.187 258 E HA -0.246 4.104 4.350 -0.000 0.000 0.199 258 E C 1.512 178.127 176.600 0.025 0.000 1.004 258 E CA 1.748 58.176 56.400 0.047 0.000 0.813 258 E CB -0.889 28.837 29.700 0.044 0.000 0.736 258 E HN 0.917 nan 8.360 nan 0.000 0.468 259 G N 1.363 110.175 108.800 0.020 0.000 2.479 259 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 259 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 259 G C 1.314 176.211 174.900 -0.004 0.000 1.115 259 G CA 0.640 45.735 45.100 -0.009 0.000 0.757 259 G HN 0.213 nan 8.290 nan 0.000 0.560 260 N N 0.056 118.752 118.700 -0.008 0.000 2.235 260 N HA 0.193 4.933 4.740 -0.000 0.000 0.209 260 N C -0.172 175.320 175.510 -0.030 0.000 1.122 260 N CA 0.052 53.104 53.050 0.004 0.000 0.845 260 N CB 0.863 39.362 38.487 0.020 0.000 1.004 260 N HN 0.269 nan 8.380 nan 0.000 0.499 261 I N 1.911 122.465 120.570 -0.026 0.000 2.390 261 I HA 0.303 4.473 4.170 -0.000 0.000 0.283 261 I C -0.482 175.628 176.117 -0.011 0.000 1.016 261 I CA -0.425 60.858 61.300 -0.028 0.000 1.151 261 I CB 1.058 39.041 38.000 -0.029 0.000 1.293 261 I HN -0.310 nan 8.210 nan 0.000 0.458 262 L N 6.163 127.384 121.223 -0.003 0.000 2.330 262 L HA 0.598 4.938 4.340 -0.000 0.000 0.271 262 L C -0.919 175.947 176.870 -0.007 0.000 1.013 262 L CA -1.116 53.721 54.840 -0.004 0.000 0.816 262 L CB 1.735 43.790 42.059 -0.005 0.000 1.287 262 L HN 0.333 nan 8.230 nan 0.000 0.435 263 L N 2.909 124.128 121.223 -0.008 0.000 2.318 263 L HA 0.493 4.833 4.340 -0.000 0.000 0.277 263 L C -2.307 174.557 176.870 -0.009 0.000 1.008 263 L CA -1.279 53.558 54.840 -0.005 0.000 0.846 263 L CB 0.941 43.001 42.059 0.000 0.000 1.220 263 L HN 0.241 nan 8.230 nan 0.000 0.423 264 P HA 0.215 nan 4.420 nan 0.000 0.272 264 P C -0.505 176.789 177.300 -0.010 0.000 1.223 264 P CA -0.288 62.800 63.100 -0.021 0.000 0.784 264 P CB 0.820 32.510 31.700 -0.016 0.000 0.923 297 L N 2.017 123.237 121.223 -0.005 0.000 2.334 297 L HA 0.923 5.263 4.340 -0.000 0.000 0.275 297 L C -0.237 176.636 176.870 0.005 0.000 1.036 297 L CA -1.542 53.294 54.840 -0.007 0.000 0.807 297 L CB 2.187 44.233 42.059 -0.021 0.000 1.231 297 L HN 0.498 nan 8.230 nan 0.000 0.438 298 V N 3.400 123.322 119.914 0.012 0.000 2.709 298 V HA 0.424 4.544 4.120 -0.000 0.000 0.308 298 V C -0.238 175.887 176.094 0.051 0.000 1.062 298 V CA -0.554 61.770 62.300 0.039 0.000 0.901 298 V CB 2.272 34.119 31.823 0.040 0.000 1.003 298 V HN 0.496 nan 8.190 nan 0.000 0.425 299 L N 5.977 127.259 121.223 0.099 0.000 2.289 299 L HA 0.716 5.056 4.340 -0.000 0.000 0.285 299 L C -0.187 176.855 176.870 0.287 0.000 1.049 299 L CA -0.324 54.574 54.840 0.096 0.000 0.804 299 L CB 1.344 43.433 42.059 0.049 0.000 1.195 299 L HN 0.700 nan 8.230 nan 0.000 0.428 300 I N -1.668 119.051 120.570 0.248 0.000 3.466 300 I HA 0.611 4.781 4.170 -0.000 0.000 0.311 300 I C -0.844 175.516 176.117 0.405 0.000 1.155 300 I CA -0.825 60.703 61.300 0.381 0.000 0.959 300 I CB 1.964 40.086 38.000 0.204 0.000 1.332 300 I HN 0.486 nan 8.210 nan 0.000 0.483 301 D N 1.154 121.793 120.400 0.399 0.000 3.357 301 D HA -0.215 4.425 4.640 -0.000 0.000 0.238 301 D C -0.710 175.749 176.300 0.264 0.000 1.126 301 D CA 0.625 54.819 54.000 0.323 0.000 0.984 301 D CB -0.719 40.231 40.800 0.251 0.000 0.925 301 D HN 0.531 nan 8.370 nan 0.000 0.414 302 F N 1.246 121.298 119.950 0.170 0.000 2.843 302 F HA 0.152 4.679 4.527 -0.000 0.000 0.290 302 F C 1.910 177.675 175.800 -0.058 0.000 1.221 302 F CA -0.008 57.957 58.000 -0.058 0.000 1.413 302 F CB 0.097 39.136 39.000 0.065 0.000 1.019 302 F HN 0.211 nan 8.300 nan 0.000 0.512 303 E N 0.190 120.449 120.200 0.097 0.000 2.130 303 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 303 E C 1.063 177.401 176.600 -0.437 0.000 0.998 303 E CA 2.006 58.290 56.400 -0.192 0.000 0.806 303 E CB -0.291 29.142 29.700 -0.445 0.000 0.738 303 E HN 0.560 nan 8.360 nan 0.000 0.459 304 Y N -0.586 119.655 120.300 -0.098 0.000 2.458 304 Y HA 0.501 5.051 4.550 -0.000 0.000 0.256 304 Y C 0.606 176.230 175.900 -0.460 0.000 1.159 304 Y CA -0.051 57.985 58.100 -0.107 0.000 1.261 304 Y CB -0.006 38.555 38.460 0.168 0.000 1.119 304 Y HN 0.041 nan 8.280 nan 0.000 0.524 305 A N 1.208 123.825 122.820 -0.337 0.000 2.531 305 A HA 0.472 4.791 4.320 -0.000 0.000 0.236 305 A C 0.583 177.844 177.584 -0.538 0.000 1.062 305 A CA 0.850 52.611 52.037 -0.459 0.000 0.760 305 A CB -0.097 18.796 19.000 -0.179 0.000 0.995 305 A HN 0.390 nan 8.150 nan 0.000 0.501 306 S N 0.637 115.958 115.700 -0.633 0.000 2.656 306 S HA 0.482 4.952 4.470 -0.000 0.000 0.265 306 S C -1.099 173.292 174.600 -0.349 0.000 1.110 306 S CA -0.815 57.158 58.200 -0.378 0.000 0.821 306 S CB 0.045 62.925 63.200 -0.534 0.000 1.099 306 S HN 0.619 nan 8.310 nan 0.000 0.471 307 Y N 1.802 122.068 120.300 -0.056 0.000 2.346 307 Y HA 0.677 5.227 4.550 -0.000 0.000 0.330 307 Y C 0.866 176.665 175.900 -0.167 0.000 1.178 307 Y CA 1.150 59.214 58.100 -0.061 0.000 1.331 307 Y CB 0.917 39.379 38.460 0.004 0.000 1.253 307 Y HN 0.923 nan 8.280 nan 0.000 0.529 308 N N 0.556 119.162 118.700 -0.157 0.000 3.046 308 N HA 0.182 4.922 4.740 -0.000 0.000 0.243 308 N C -1.992 173.322 175.510 -0.327 0.000 1.452 308 N CA -1.039 51.861 53.050 -0.249 0.000 0.882 308 N CB 0.546 38.896 38.487 -0.227 0.000 1.425 308 N HN 0.323 nan 8.380 nan 0.000 0.517 309 Y N 1.876 122.060 120.300 -0.194 0.000 2.632 309 Y HA 0.062 4.612 4.550 -0.000 0.000 0.329 309 Y C 1.982 177.609 175.900 -0.456 0.000 1.174 309 Y CA 0.346 58.269 58.100 -0.295 0.000 1.469 309 Y CB 0.545 38.752 38.460 -0.421 0.000 1.242 309 Y HN 0.472 nan 8.280 nan 0.000 0.540 310 R N 1.608 121.913 120.500 -0.325 0.000 2.159 310 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 310 R C 1.838 177.681 176.300 -0.762 0.000 1.131 310 R CA 1.332 57.063 56.100 -0.613 0.000 0.982 310 R CB -0.637 29.404 30.300 -0.430 0.000 0.868 310 R HN 0.688 nan 8.270 nan 0.000 0.453 311 A N 1.058 123.599 122.820 -0.464 0.000 1.978 311 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 311 A C 1.944 179.240 177.584 -0.479 0.000 1.170 311 A CA 1.155 52.989 52.037 -0.337 0.000 0.636 311 A CB -0.673 18.108 19.000 -0.365 0.000 0.810 311 A HN 0.516 nan 8.150 nan 0.000 0.448 312 F N 0.863 120.335 119.950 -0.796 0.000 2.146 312 F HA -0.148 4.378 4.527 -0.000 0.000 0.298 312 F C 1.848 177.489 175.800 -0.266 0.000 1.096 312 F CA 1.966 59.714 58.000 -0.419 0.000 1.275 312 F CB -0.182 38.630 39.000 -0.313 0.000 1.008 312 F HN 0.229 nan 8.300 nan 0.000 0.480 313 D N -0.111 120.090 120.400 -0.333 0.000 2.123 313 D HA -0.183 4.456 4.640 -0.000 0.000 0.196 313 D C 2.199 178.270 176.300 -0.381 0.000 0.992 313 D CA 1.438 55.251 54.000 -0.313 0.000 0.833 313 D CB -0.304 40.370 40.800 -0.210 0.000 0.954 313 D HN 0.237 nan 8.370 nan 0.000 0.455 314 F N 1.072 120.835 119.950 -0.311 0.000 2.084 314 F HA 0.018 4.545 4.527 -0.000 0.000 0.296 314 F C 2.546 177.836 175.800 -0.850 0.000 1.111 314 F CA 0.761 58.375 58.000 -0.642 0.000 1.224 314 F CB -1.348 37.475 39.000 -0.295 0.000 0.991 314 F HN -0.081 nan 8.300 nan 0.000 0.471 315 A N 0.158 122.850 122.820 -0.214 0.000 1.908 315 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 315 A C 2.076 179.530 177.584 -0.218 0.000 1.181 315 A CA 2.135 54.120 52.037 -0.085 0.000 0.627 315 A CB -1.277 17.754 19.000 0.052 0.000 0.818 315 A HN 0.443 nan 8.150 nan 0.000 0.445 316 N N -1.050 117.390 118.700 -0.433 0.000 2.104 316 N HA -0.236 4.504 4.740 -0.000 0.000 0.190 316 N C 1.702 177.110 175.510 -0.169 0.000 1.024 316 N CA 2.104 54.945 53.050 -0.349 0.000 0.853 316 N CB -0.389 37.782 38.487 -0.526 0.000 1.008 316 N HN 0.674 nan 8.380 nan 0.000 0.424 317 H N -0.932 117.938 119.070 -0.333 0.000 2.353 317 H HA -0.049 4.507 4.556 -0.000 0.000 0.300 317 H C 1.358 176.575 175.328 -0.184 0.000 1.090 317 H CA 1.887 57.778 56.048 -0.262 0.000 1.327 317 H CB -0.429 29.098 29.762 -0.393 0.000 1.383 317 H HN 0.195 nan 8.280 nan 0.000 0.508 318 F N 0.281 119.929 119.950 -0.503 0.000 2.171 318 F HA -0.107 4.420 4.527 -0.000 0.000 0.300 318 F C 2.547 177.932 175.800 -0.691 0.000 1.090 318 F CA 0.882 58.276 58.000 -1.010 0.000 1.293 318 F CB -0.937 37.411 39.000 -1.087 0.000 1.013 318 F HN 0.226 nan 8.300 nan 0.000 0.486 319 I N -0.195 120.367 120.570 -0.013 0.000 2.226 319 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 319 I C 2.273 178.465 176.117 0.125 0.000 1.100 319 I CA 1.155 62.561 61.300 0.176 0.000 1.374 319 I CB -0.422 37.642 38.000 0.106 0.000 1.057 319 I HN 0.033 nan 8.210 nan 0.000 0.413 320 E N 0.050 120.277 120.200 0.046 0.000 2.331 320 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 320 E C 1.793 178.463 176.600 0.117 0.000 1.008 320 E CA 1.038 57.481 56.400 0.072 0.000 0.843 320 E CB -0.229 29.491 29.700 0.034 0.000 0.761 320 E HN 0.561 nan 8.360 nan 0.000 0.507 321 W N 0.751 121.928 121.300 -0.205 0.000 2.421 321 W HA -0.107 4.553 4.660 -0.000 0.000 0.270 321 W C 2.341 178.817 176.519 -0.072 0.000 1.233 321 W CA 1.850 59.086 57.345 -0.182 0.000 1.226 321 W CB -0.705 28.592 29.460 -0.271 0.000 1.121 321 W HN 0.111 nan 8.180 nan 0.000 0.579 322 T N -3.048 111.637 114.554 0.219 0.000 3.060 322 T HA 0.238 4.588 4.350 -0.000 0.000 0.249 322 T C 0.524 175.293 174.700 0.115 0.000 1.079 322 T CA 0.060 62.272 62.100 0.187 0.000 1.013 322 T CB -0.261 68.759 68.868 0.252 0.000 0.975 322 T HN -0.112 nan 8.240 nan 0.000 0.518 323 I N 2.480 123.074 120.570 0.040 0.000 2.359 323 I HA 0.401 4.571 4.170 -0.000 0.000 0.284 323 I C -0.841 175.054 176.117 -0.370 0.000 1.018 323 I CA -0.920 60.314 61.300 -0.110 0.000 1.173 323 I CB 1.283 39.218 38.000 -0.108 0.000 1.326 323 I HN 0.027 nan 8.210 nan 0.000 0.462 324 D N 5.167 125.420 120.400 -0.245 0.000 2.232 324 D HA 0.201 4.841 4.640 -0.000 0.000 0.242 324 D C -0.114 176.046 176.300 -0.232 0.000 1.093 324 D CA -0.070 53.811 54.000 -0.197 0.000 0.845 324 D CB 1.076 41.859 40.800 -0.028 0.000 1.124 324 D HN 0.319 nan 8.370 nan 0.000 0.467 325 Y N 0.605 121.000 120.300 0.160 0.000 2.449 325 Y HA 0.175 4.725 4.550 -0.000 0.000 0.254 325 Y C 0.489 176.490 175.900 0.169 0.000 1.140 325 Y CA -0.364 57.855 58.100 0.198 0.000 1.272 325 Y CB 0.529 39.045 38.460 0.093 0.000 1.114 325 Y HN 0.295 nan 8.280 nan 0.000 0.525 326 D N 1.523 122.051 120.400 0.214 0.000 2.713 326 D HA 0.164 4.804 4.640 -0.000 0.000 0.229 326 D C -0.345 176.037 176.300 0.137 0.000 1.136 326 D CA 0.479 54.574 54.000 0.158 0.000 1.010 326 D CB 0.115 40.978 40.800 0.104 0.000 1.084 326 D HN 0.072 nan 8.370 nan 0.000 0.495 327 I N 1.205 121.887 120.570 0.187 0.000 2.418 327 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 327 I C 0.931 177.183 176.117 0.224 0.000 1.008 327 I CA -0.571 60.813 61.300 0.140 0.000 1.104 327 I CB 2.035 40.085 38.000 0.083 0.000 1.264 327 I HN -0.079 nan 8.210 nan 0.000 0.438 328 D N 3.788 124.282 120.400 0.157 0.000 2.347 328 D HA 0.001 4.641 4.640 -0.000 0.000 0.213 328 D C 0.889 177.307 176.300 0.197 0.000 0.985 328 D CA 0.694 54.826 54.000 0.220 0.000 0.879 328 D CB 0.684 41.557 40.800 0.121 0.000 0.919 328 D HN 0.742 nan 8.370 nan 0.000 0.526 329 E N 0.862 121.032 120.200 -0.050 0.000 2.191 329 E HA 0.611 4.961 4.350 -0.000 0.000 0.274 329 E C -0.235 175.877 176.600 -0.812 0.000 0.948 329 E CA -0.650 55.572 56.400 -0.297 0.000 0.802 329 E CB 1.109 30.689 29.700 -0.200 0.000 1.137 329 E HN 0.166 nan 8.360 nan 0.000 0.397 330 A N 2.820 124.935 122.820 -1.175 0.000 2.555 330 A HA 0.378 4.698 4.320 -0.000 0.000 0.233 330 A C -1.054 176.065 177.584 -0.774 0.000 1.060 330 A CA -0.023 51.186 52.037 -1.381 0.000 0.759 330 A CB -0.010 18.535 19.000 -0.759 0.000 0.995 330 A HN 0.647 nan 8.150 nan 0.000 0.506 331 P HA 0.168 nan 4.420 nan 0.000 0.255 331 P C -0.393 176.535 177.300 -0.620 0.000 1.301 331 P CA 0.065 62.752 63.100 -0.689 0.000 0.817 331 P CB -0.354 31.033 31.700 -0.521 0.000 1.259 332 F N -2.755 116.999 119.950 -0.325 0.000 2.965 332 F HA -0.205 4.322 4.527 -0.000 0.000 0.287 332 F C 0.079 175.947 175.800 0.114 0.000 0.790 332 F CA 0.573 58.504 58.000 -0.115 0.000 1.279 332 F CB -3.042 35.925 39.000 -0.055 0.000 1.409 332 F HN 0.208 nan 8.300 nan 0.000 0.446 333 Y N -1.907 118.437 120.300 0.073 0.000 2.624 333 Y HA 0.743 5.293 4.550 -0.000 0.000 0.334 333 Y C -1.098 174.829 175.900 0.046 0.000 1.155 333 Y CA -2.265 55.928 58.100 0.155 0.000 1.046 333 Y CB 1.613 40.280 38.460 0.345 0.000 1.316 333 Y HN 0.048 nan 8.280 nan 0.000 0.457 334 K N 3.130 123.636 120.400 0.177 0.000 2.535 334 K HA 0.652 4.972 4.320 -0.000 0.000 0.250 334 K C -2.072 174.630 176.600 0.171 0.000 0.948 334 K CA -0.637 55.700 56.287 0.083 0.000 0.796 334 K CB 1.713 34.217 32.500 0.005 0.000 1.216 334 K HN 0.871 nan 8.250 nan 0.000 0.432 335 I N 4.011 124.699 120.570 0.198 0.000 2.339 335 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 335 I C -0.405 175.787 176.117 0.124 0.000 0.994 335 I CA -0.560 60.849 61.300 0.182 0.000 1.191 335 I CB 1.799 39.934 38.000 0.226 0.000 1.343 335 I HN 0.493 nan 8.210 nan 0.000 0.458 336 Q N 4.375 124.247 119.800 0.120 0.000 2.700 336 Q HA 0.146 4.486 4.340 -0.000 0.000 0.249 336 Q C 1.087 177.171 176.000 0.140 0.000 1.033 336 Q CA -0.289 55.579 55.803 0.108 0.000 0.804 336 Q CB 1.337 30.130 28.738 0.091 0.000 1.164 336 Q HN 0.853 nan 8.270 nan 0.000 0.500 337 T N -1.866 112.772 114.554 0.141 0.000 2.822 337 T HA -0.250 4.100 4.350 -0.000 0.000 0.270 337 T C 1.485 176.288 174.700 0.171 0.000 1.064 337 T CA 1.707 63.907 62.100 0.167 0.000 1.131 337 T CB 0.006 68.953 68.868 0.131 0.000 0.858 337 T HN 0.603 nan 8.240 nan 0.000 0.483 338 E N 1.835 122.115 120.200 0.133 0.000 2.409 338 E HA -0.130 4.220 4.350 -0.000 0.000 0.198 338 E C 1.224 177.916 176.600 0.154 0.000 1.024 338 E CA 0.904 57.378 56.400 0.124 0.000 0.861 338 E CB -0.825 28.928 29.700 0.089 0.000 0.788 338 E HN 0.748 nan 8.360 nan 0.000 0.521 339 N N -0.111 118.698 118.700 0.182 0.000 2.398 339 N HA 0.051 4.791 4.740 -0.000 0.000 0.188 339 N C -0.315 175.351 175.510 0.259 0.000 1.122 339 N CA -0.428 52.746 53.050 0.207 0.000 0.866 339 N CB -0.025 38.574 38.487 0.187 0.000 0.970 339 N HN 0.025 nan 8.380 nan 0.000 0.462 340 F N 4.026 124.019 119.950 0.073 0.000 2.607 340 F HA 0.067 4.593 4.527 -0.000 0.000 0.374 340 F C -1.657 174.030 175.800 -0.189 0.000 1.104 340 F CA -2.075 55.889 58.000 -0.060 0.000 1.296 340 F CB 0.438 39.385 39.000 -0.088 0.000 1.085 340 F HN 0.007 nan 8.300 nan 0.000 0.584 341 P HA -0.078 nan 4.420 nan 0.000 0.265 341 P C -0.775 176.261 177.300 -0.441 0.000 1.187 341 P CA 0.192 62.693 63.100 -0.998 0.000 0.766 341 P CB 0.547 30.963 31.700 -2.139 0.000 0.820 342 E N 2.202 122.266 120.200 -0.227 0.000 2.392 342 E HA -0.009 4.340 4.350 -0.000 0.000 0.256 342 E C 1.142 177.642 176.600 -0.167 0.000 1.145 342 E CA -0.283 56.058 56.400 -0.099 0.000 0.929 342 E CB 0.314 29.994 29.700 -0.033 0.000 0.998 342 E HN 0.435 nan 8.360 nan 0.000 0.442 343 N N 1.201 119.851 118.700 -0.083 0.000 2.061 343 N HA -0.238 4.502 4.740 -0.000 0.000 0.193 343 N C 1.701 177.155 175.510 -0.093 0.000 1.030 343 N CA 2.333 55.334 53.050 -0.082 0.000 0.856 343 N CB -0.285 38.192 38.487 -0.017 0.000 1.023 343 N HN 0.654 nan 8.380 nan 0.000 0.424 344 D N -0.300 120.074 120.400 -0.043 0.000 2.182 344 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 344 D C 1.841 178.112 176.300 -0.049 0.000 0.986 344 D CA 1.442 55.438 54.000 -0.007 0.000 0.847 344 D CB -0.627 40.191 40.800 0.031 0.000 0.942 344 D HN 0.528 nan 8.370 nan 0.000 0.467 345 Q N -1.248 118.481 119.800 -0.118 0.000 2.123 345 Q HA 0.041 4.381 4.340 -0.000 0.000 0.199 345 Q C 2.510 178.322 176.000 -0.312 0.000 0.966 345 Q CA 1.034 56.750 55.803 -0.144 0.000 0.845 345 Q CB -0.089 28.558 28.738 -0.152 0.000 0.907 345 Q HN 0.563 nan 8.270 nan 0.000 0.439 346 M N 0.050 119.324 119.600 -0.543 0.000 2.229 346 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 346 M C 2.101 178.178 176.300 -0.371 0.000 1.063 346 M CA 1.092 55.908 55.300 -0.806 0.000 1.114 346 M CB -0.133 31.966 32.600 -0.836 0.000 1.387 346 M HN 0.240 nan 8.290 nan 0.000 0.420 347 L N 0.178 121.323 121.223 -0.130 0.000 2.056 347 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 347 L C 2.614 179.504 176.870 0.033 0.000 1.078 347 L CA 1.264 56.108 54.840 0.007 0.000 0.749 347 L CB -0.257 41.773 42.059 -0.048 0.000 0.901 347 L HN 0.213 nan 8.230 nan 0.000 0.433 348 E N -0.560 119.655 120.200 0.024 0.000 2.085 348 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 348 E C 1.975 178.617 176.600 0.070 0.000 0.994 348 E CA 1.383 57.821 56.400 0.063 0.000 0.801 348 E CB -0.385 29.358 29.700 0.071 0.000 0.743 348 E HN 0.445 nan 8.360 nan 0.000 0.453 349 F N 0.746 120.619 119.950 -0.127 0.000 2.069 349 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 349 F C 2.057 177.784 175.800 -0.122 0.000 1.113 349 F CA 1.395 59.304 58.000 -0.151 0.000 1.214 349 F CB -0.327 38.514 39.000 -0.265 0.000 0.978 349 F HN -0.087 nan 8.300 nan 0.000 0.474 350 F N 0.401 120.470 119.950 0.198 0.000 2.216 350 F HA -0.158 4.369 4.527 -0.000 0.000 0.300 350 F C 2.264 178.085 175.800 0.035 0.000 1.085 350 F CA 0.993 59.013 58.000 0.033 0.000 1.326 350 F CB -1.313 37.648 39.000 -0.065 0.000 1.027 350 F HN -0.009 nan 8.300 nan 0.000 0.497 351 L N -0.290 121.042 121.223 0.182 0.000 2.042 351 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 351 L C 2.347 179.265 176.870 0.080 0.000 1.076 351 L CA 1.321 56.230 54.840 0.115 0.000 0.749 351 L CB -0.629 41.486 42.059 0.093 0.000 0.893 351 L HN 0.167 nan 8.230 nan 0.000 0.432 352 N N -0.814 117.901 118.700 0.025 0.000 2.142 352 N HA -0.228 4.512 4.740 -0.000 0.000 0.186 352 N C 1.809 177.303 175.510 -0.027 0.000 1.023 352 N CA 1.323 54.351 53.050 -0.036 0.000 0.852 352 N CB -0.278 38.138 38.487 -0.119 0.000 0.998 352 N HN 0.338 nan 8.380 nan 0.000 0.424 353 Y N 1.940 122.140 120.300 -0.167 0.000 2.145 353 Y HA -0.079 4.470 4.550 -0.000 0.000 0.286 353 Y C 2.282 178.187 175.900 0.009 0.000 1.145 353 Y CA 1.349 59.388 58.100 -0.101 0.000 1.148 353 Y CB -0.452 37.982 38.460 -0.043 0.000 0.981 353 Y HN -0.064 nan 8.280 nan 0.000 0.507 354 L N -0.018 121.350 121.223 0.242 0.000 2.056 354 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 354 L C 2.750 179.627 176.870 0.012 0.000 1.078 354 L CA 1.653 56.567 54.840 0.124 0.000 0.749 354 L CB -0.547 41.614 42.059 0.170 0.000 0.901 354 L HN 0.169 nan 8.230 nan 0.000 0.433 355 R N 0.353 120.864 120.500 0.019 0.000 2.081 355 R HA -0.240 4.100 4.340 -0.000 0.000 0.235 355 R C 2.224 178.500 176.300 -0.040 0.000 1.131 355 R CA 1.767 57.866 56.100 -0.002 0.000 0.960 355 R CB -0.034 30.270 30.300 0.007 0.000 0.856 355 R HN 0.193 nan 8.270 nan 0.000 0.436 356 E N 0.589 120.741 120.200 -0.079 0.000 2.106 356 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 356 E C 1.748 178.274 176.600 -0.124 0.000 0.984 356 E CA 1.555 57.892 56.400 -0.106 0.000 0.806 356 E CB 0.047 29.663 29.700 -0.140 0.000 0.750 356 E HN 0.435 nan 8.360 nan 0.000 0.458 357 Q N -0.881 118.813 119.800 -0.178 0.000 2.369 357 Q HA 0.018 4.357 4.340 -0.000 0.000 0.206 357 Q C 1.132 177.092 176.000 -0.068 0.000 0.963 357 Q CA 0.702 56.416 55.803 -0.148 0.000 0.894 357 Q CB 0.105 28.721 28.738 -0.203 0.000 0.965 357 Q HN 0.480 nan 8.270 nan 0.000 0.475 358 G N 1.728 110.499 108.800 -0.049 0.000 2.203 358 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.263 358 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.263 358 G C 0.372 175.268 174.900 -0.007 0.000 1.012 358 G CA 0.621 45.708 45.100 -0.022 0.000 0.749 358 G HN 0.338 nan 8.290 nan 0.000 0.512 359 N N -0.145 118.555 118.700 -0.000 0.000 2.203 359 N HA 0.126 4.866 4.740 -0.000 0.000 0.207 359 N C 0.091 175.614 175.510 0.022 0.000 1.130 359 N CA 0.632 53.690 53.050 0.013 0.000 0.861 359 N CB 0.796 39.295 38.487 0.020 0.000 1.005 359 N HN 0.365 nan 8.380 nan 0.000 0.507 360 T N 0.618 115.186 114.554 0.024 0.000 2.809 360 T HA 0.484 4.834 4.350 -0.000 0.000 0.284 360 T C 0.533 175.251 174.700 0.031 0.000 0.992 360 T CA -0.615 61.505 62.100 0.033 0.000 0.957 360 T CB 1.661 70.556 68.868 0.045 0.000 0.942 360 T HN 0.240 nan 8.240 nan 0.000 0.439 361 R N 1.760 122.278 120.500 0.031 0.000 2.679 361 R HA 0.214 4.553 4.340 -0.000 0.000 0.268 361 R C 1.234 177.556 176.300 0.038 0.000 1.044 361 R CA -0.045 56.073 56.100 0.029 0.000 1.105 361 R CB -0.573 29.743 30.300 0.027 0.000 0.989 361 R HN 0.891 nan 8.270 nan 0.000 0.447 362 E N 1.439 121.660 120.200 0.035 0.000 2.097 362 E HA -0.230 4.119 4.350 -0.000 0.000 0.196 362 E C 1.526 178.158 176.600 0.053 0.000 1.000 362 E CA 2.443 58.868 56.400 0.042 0.000 0.804 362 E CB 0.086 29.806 29.700 0.033 0.000 0.740 362 E HN 0.868 nan 8.360 nan 0.000 0.454 363 N N -0.031 118.696 118.700 0.045 0.000 2.521 363 N HA -0.116 4.623 4.740 -0.000 0.000 0.188 363 N C 0.580 176.128 175.510 0.063 0.000 1.146 363 N CA 0.713 53.792 53.050 0.049 0.000 0.893 363 N CB 0.071 38.579 38.487 0.035 0.000 0.975 363 N HN 0.331 nan 8.380 nan 0.000 0.451 364 E N -0.041 120.198 120.200 0.065 0.000 2.539 364 E HA 0.222 4.572 4.350 -0.000 0.000 0.215 364 E C 1.622 178.271 176.600 0.082 0.000 0.965 364 E CA -0.282 56.160 56.400 0.070 0.000 1.019 364 E CB 0.360 30.090 29.700 0.051 0.000 1.059 364 E HN 0.177 nan 8.360 nan 0.000 0.496 365 L N 0.486 121.763 121.223 0.090 0.000 2.012 365 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 365 L C 2.464 179.390 176.870 0.094 0.000 1.073 365 L CA 1.646 56.540 54.840 0.090 0.000 0.748 365 L CB -0.502 41.614 42.059 0.096 0.000 0.891 365 L HN 0.223 nan 8.230 nan 0.000 0.431 366 Y N 0.913 121.241 120.300 0.047 0.000 2.097 366 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 366 Y C 2.642 178.569 175.900 0.045 0.000 1.152 366 Y CA 1.751 59.881 58.100 0.049 0.000 1.136 366 Y CB -0.050 38.434 38.460 0.040 0.000 0.975 366 Y HN -0.010 nan 8.280 nan 0.000 0.498 367 K N -0.520 119.975 120.400 0.158 0.000 2.148 367 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 367 K C 2.194 178.783 176.600 -0.019 0.000 1.050 367 K CA 1.412 57.745 56.287 0.077 0.000 0.942 367 K CB -0.031 32.536 32.500 0.112 0.000 0.724 367 K HN 0.065 nan 8.250 nan 0.000 0.446 368 K N 0.258 120.650 120.400 -0.012 0.000 2.097 368 K HA -0.022 4.297 4.320 -0.000 0.000 0.205 368 K C 2.326 178.865 176.600 -0.102 0.000 1.050 368 K CA 1.301 57.569 56.287 -0.032 0.000 0.938 368 K CB -0.395 32.109 32.500 0.007 0.000 0.718 368 K HN 0.189 nan 8.250 nan 0.000 0.442 369 S N 0.794 116.424 115.700 -0.116 0.000 2.368 369 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 369 S C 1.977 176.471 174.600 -0.177 0.000 1.030 369 S CA 1.305 59.430 58.200 -0.125 0.000 0.999 369 S CB -0.257 62.890 63.200 -0.089 0.000 0.844 369 S HN 0.507 nan 8.310 nan 0.000 0.459 370 E N 0.829 120.886 120.200 -0.239 0.000 2.085 370 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 370 E C 1.552 178.090 176.600 -0.102 0.000 0.994 370 E CA 1.242 57.544 56.400 -0.164 0.000 0.801 370 E CB -0.110 29.516 29.700 -0.123 0.000 0.743 370 E HN 0.428 nan 8.360 nan 0.000 0.453 371 D N 0.403 120.739 120.400 -0.107 0.000 2.117 371 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 371 D C 1.991 178.198 176.300 -0.155 0.000 0.987 371 D CA 0.704 54.651 54.000 -0.088 0.000 0.829 371 D CB -0.137 40.626 40.800 -0.063 0.000 0.961 371 D HN 0.082 nan 8.370 nan 0.000 0.460 372 L N 0.779 121.808 121.223 -0.324 0.000 2.079 372 L HA -0.160 4.179 4.340 -0.000 0.000 0.210 372 L C 2.548 179.118 176.870 -0.499 0.000 1.081 372 L CA 0.970 55.410 54.840 -0.666 0.000 0.752 372 L CB -0.721 40.436 42.059 -1.503 0.000 0.896 372 L HN -0.075 nan 8.230 nan 0.000 0.433 373 V N -1.049 118.752 119.914 -0.189 0.000 2.295 373 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 373 V C 2.567 178.715 176.094 0.091 0.000 1.049 373 V CA 1.482 63.865 62.300 0.137 0.000 1.024 373 V CB -0.593 31.304 31.823 0.123 0.000 0.648 373 V HN 0.471 nan 8.190 nan 0.000 0.447 374 Q N -0.178 119.639 119.800 0.029 0.000 2.124 374 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 374 Q C 2.222 178.265 176.000 0.071 0.000 0.977 374 Q CA 1.725 57.555 55.803 0.045 0.000 0.850 374 Q CB -0.423 28.329 28.738 0.023 0.000 0.901 374 Q HN 0.814 nan 8.270 nan 0.000 0.429 375 E N -0.054 120.176 120.200 0.049 0.000 2.110 375 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 375 E C 1.332 178.061 176.600 0.214 0.000 0.988 375 E CA 1.399 57.859 56.400 0.100 0.000 0.804 375 E CB 0.272 29.994 29.700 0.036 0.000 0.745 375 E HN 0.259 nan 8.360 nan 0.000 0.458 376 T N 1.521 116.206 114.554 0.220 0.000 2.851 376 T HA -0.033 4.316 4.350 -0.000 0.000 0.262 376 T C 1.915 176.816 174.700 0.334 0.000 1.043 376 T CA 0.805 63.108 62.100 0.339 0.000 1.140 376 T CB -0.147 69.001 68.868 0.467 0.000 0.872 376 T HN 0.152 nan 8.240 nan 0.000 0.446 377 L N 0.955 122.320 121.223 0.236 0.000 2.021 377 L HA -0.135 4.205 4.340 -0.000 0.000 0.215 377 L C -0.550 176.393 176.870 0.121 0.000 1.074 377 L CA 1.681 56.612 54.840 0.152 0.000 0.760 377 L CB -1.991 40.117 42.059 0.081 0.000 0.889 377 L HN 0.209 nan 8.230 nan 0.000 0.433 378 P HA -0.179 nan 4.420 nan 0.000 0.219 378 P C 1.254 178.489 177.300 -0.109 0.000 1.146 378 P CA 1.487 64.570 63.100 -0.028 0.000 0.808 378 P CB -0.044 31.593 31.700 -0.104 0.000 0.779 379 F N -2.191 117.802 119.950 0.072 0.000 2.797 379 F HA -0.007 4.520 4.527 -0.000 0.000 0.302 379 F C 2.050 177.891 175.800 0.068 0.000 1.130 379 F CA 0.201 58.261 58.000 0.100 0.000 1.387 379 F CB -0.620 38.446 39.000 0.109 0.000 1.107 379 F HN -0.272 nan 8.300 nan 0.000 0.577 380 V N 2.199 122.211 119.914 0.163 0.000 2.261 380 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 380 V C -0.150 176.005 176.094 0.102 0.000 1.047 380 V CA 2.037 64.366 62.300 0.049 0.000 1.015 380 V CB -1.455 30.334 31.823 -0.056 0.000 0.642 380 V HN 0.144 nan 8.190 nan 0.000 0.446 381 P HA -0.059 nan 4.420 nan 0.000 0.221 381 P C 1.839 179.431 177.300 0.487 0.000 1.150 381 P CA 1.143 64.493 63.100 0.416 0.000 0.800 381 P CB 0.020 31.869 31.700 0.247 0.000 0.787 382 V N 0.784 120.899 119.914 0.336 0.000 2.343 382 V HA -0.208 3.911 4.120 -0.000 0.000 0.247 382 V C 3.035 179.436 176.094 0.512 0.000 1.051 382 V CA 2.445 64.972 62.300 0.378 0.000 1.036 382 V CB -1.565 30.466 31.823 0.347 0.000 0.654 382 V HN 0.261 nan 8.190 nan 0.000 0.451 383 S N -0.944 115.018 115.700 0.437 0.000 2.356 383 S HA -0.260 4.209 4.470 -0.000 0.000 0.223 383 S C 2.060 176.941 174.600 0.469 0.000 1.032 383 S CA 1.674 60.120 58.200 0.409 0.000 1.005 383 S CB -0.447 62.749 63.200 -0.007 0.000 0.867 383 S HN 0.713 nan 8.310 nan 0.000 0.449 384 H N -0.494 118.843 119.070 0.444 0.000 2.352 384 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 384 H C 1.924 177.449 175.328 0.329 0.000 1.097 384 H CA 1.624 57.902 56.048 0.383 0.000 1.311 384 H CB -0.873 29.098 29.762 0.348 0.000 1.377 384 H HN 0.568 nan 8.280 nan 0.000 0.504 385 F N 0.562 120.670 119.950 0.263 0.000 2.146 385 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 385 F C 2.461 178.311 175.800 0.083 0.000 1.096 385 F CA 0.694 58.652 58.000 -0.070 0.000 1.275 385 F CB -0.608 38.118 39.000 -0.457 0.000 1.008 385 F HN -0.021 nan 8.300 nan 0.000 0.480 386 F N -0.132 119.889 119.950 0.118 0.000 2.025 386 F HA -0.269 4.258 4.527 -0.000 0.000 0.297 386 F C 1.855 177.645 175.800 -0.017 0.000 1.132 386 F CA 2.283 60.252 58.000 -0.053 0.000 1.191 386 F CB -1.079 37.798 39.000 -0.205 0.000 0.963 386 F HN 0.008 nan 8.300 nan 0.000 0.481 387 W N 0.067 121.563 121.300 0.326 0.000 2.595 387 W HA 0.085 4.745 4.660 -0.000 0.000 0.257 387 W C 2.526 179.170 176.519 0.208 0.000 1.267 387 W CA 0.616 58.114 57.345 0.255 0.000 1.300 387 W CB -0.962 28.704 29.460 0.344 0.000 1.120 387 W HN 0.161 nan 8.180 nan 0.000 0.618 388 G N 0.263 109.190 108.800 0.211 0.000 2.414 388 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.215 388 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.215 388 G C 1.439 176.274 174.900 -0.108 0.000 1.188 388 G CA 1.403 46.507 45.100 0.007 0.000 0.783 388 G HN 0.100 nan 8.290 nan 0.000 0.537 389 V N -0.353 119.391 119.914 -0.284 0.000 2.427 389 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 389 V C 2.229 178.242 176.094 -0.134 0.000 1.051 389 V CA 1.720 63.841 62.300 -0.298 0.000 1.048 389 V CB -0.521 31.078 31.823 -0.374 0.000 0.666 389 V HN 0.624 nan 8.190 nan 0.000 0.456 390 W N 1.433 122.576 121.300 -0.260 0.000 2.355 390 W HA -0.077 4.583 4.660 -0.000 0.000 0.309 390 W C 2.327 178.724 176.519 -0.203 0.000 1.206 390 W CA 1.895 58.982 57.345 -0.431 0.000 1.284 390 W CB -0.747 28.441 29.460 -0.452 0.000 1.145 390 W HN 0.230 nan 8.180 nan 0.000 0.502 391 G N 0.849 109.763 108.800 0.190 0.000 2.446 391 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 391 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 391 G C 1.548 176.407 174.900 -0.069 0.000 1.168 391 G CA 1.371 46.577 45.100 0.177 0.000 0.771 391 G HN 0.337 nan 8.290 nan 0.000 0.551 392 L N -0.400 120.758 121.223 -0.108 0.000 2.083 392 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 392 L C 2.689 179.441 176.870 -0.197 0.000 1.083 392 L CA 0.524 55.273 54.840 -0.153 0.000 0.752 392 L CB -0.372 41.474 42.059 -0.355 0.000 0.899 392 L HN 0.239 nan 8.230 nan 0.000 0.433 393 L N -0.706 120.322 121.223 -0.325 0.000 2.156 393 L HA -0.135 4.204 4.340 -0.000 0.000 0.208 393 L C 2.543 179.119 176.870 -0.489 0.000 1.095 393 L CA 1.535 56.162 54.840 -0.354 0.000 0.770 393 L CB -0.573 41.240 42.059 -0.409 0.000 0.914 393 L HN 0.184 nan 8.230 nan 0.000 0.439 394 Q N -0.621 118.701 119.800 -0.797 0.000 2.291 394 Q HA -0.112 4.228 4.340 -0.000 0.000 0.206 394 Q C 2.321 177.878 176.000 -0.737 0.000 0.976 394 Q CA 1.337 56.498 55.803 -1.071 0.000 0.875 394 Q CB -0.496 27.021 28.738 -2.035 0.000 0.927 394 Q HN 0.459 nan 8.270 nan 0.000 0.450 395 V N 0.979 120.675 119.914 -0.364 0.000 2.252 395 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 395 V C 1.775 177.812 176.094 -0.095 0.000 1.056 395 V CA 2.196 64.451 62.300 -0.075 0.000 1.022 395 V CB -0.313 31.536 31.823 0.043 0.000 0.641 395 V HN 0.302 nan 8.190 nan 0.000 0.445 396 E N -0.899 119.227 120.200 -0.123 0.000 2.442 396 E HA 0.107 4.457 4.350 -0.000 0.000 0.195 396 E C 1.797 178.323 176.600 -0.124 0.000 1.030 396 E CA 0.323 56.667 56.400 -0.094 0.000 0.869 396 E CB 0.184 29.845 29.700 -0.065 0.000 0.857 396 E HN 0.541 nan 8.360 nan 0.000 0.505 397 L N -1.198 119.902 121.223 -0.204 0.000 2.537 397 L HA 0.242 4.582 4.340 -0.000 0.000 0.224 397 L C 0.950 177.666 176.870 -0.257 0.000 1.065 397 L CA -0.141 54.593 54.840 -0.176 0.000 0.860 397 L CB 0.559 42.522 42.059 -0.160 0.000 1.086 397 L HN -0.125 nan 8.230 nan 0.000 0.482 398 S N 0.797 116.249 115.700 -0.414 0.000 2.508 398 S HA 0.377 4.847 4.470 -0.000 0.000 0.284 398 S C -1.692 172.651 174.600 -0.427 0.000 1.192 398 S CA -1.280 56.565 58.200 -0.592 0.000 1.070 398 S CB 1.239 64.079 63.200 -0.599 0.000 1.004 398 S HN -0.016 nan 8.310 nan 0.000 0.493 399 P HA 0.159 nan 4.420 nan 0.000 0.257 399 P C -0.065 177.150 177.300 -0.141 0.000 1.241 399 P CA -0.010 62.902 63.100 -0.313 0.000 0.816 399 P CB 0.043 31.529 31.700 -0.358 0.000 1.150 400 V N 1.477 121.336 119.914 -0.091 0.000 2.694 400 V HA 0.133 4.253 4.120 -0.000 0.000 0.306 400 V C 1.595 177.741 176.094 0.086 0.000 1.054 400 V CA 0.624 62.968 62.300 0.072 0.000 1.161 400 V CB 0.158 32.121 31.823 0.232 0.000 0.916 400 V HN 0.171 nan 8.190 nan 0.000 0.490 401 G N 4.768 113.547 108.800 -0.035 0.000 2.916 401 G HA2 0.373 4.333 3.960 -0.000 0.000 0.280 401 G HA3 0.373 4.333 3.960 -0.000 0.000 0.280 401 G C -0.794 173.994 174.900 -0.187 0.000 0.758 401 G CA 0.055 45.075 45.100 -0.134 0.000 1.993 401 G HN 0.481 nan 8.290 nan 0.000 0.564 402 F N 1.181 120.945 119.950 -0.310 0.000 2.591 402 F HA 0.578 5.105 4.527 -0.000 0.000 0.309 402 F C 0.497 176.099 175.800 -0.330 0.000 1.098 402 F CA -1.204 56.559 58.000 -0.394 0.000 0.937 402 F CB 2.071 40.548 39.000 -0.872 0.000 1.250 402 F HN 0.226 nan 8.300 nan 0.000 0.447 403 G N 4.309 112.694 108.800 -0.692 0.000 3.008 403 G HA2 0.086 4.046 3.960 -0.000 0.000 0.272 403 G HA3 0.086 4.046 3.960 -0.000 0.000 0.272 403 G C 0.403 175.205 174.900 -0.163 0.000 0.764 403 G CA -0.037 44.876 45.100 -0.312 0.000 2.029 403 G HN 0.582 nan 8.290 nan 0.000 0.587 404 F N 1.805 121.863 119.950 0.180 0.000 2.171 404 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 404 F C 2.738 178.665 175.800 0.211 0.000 1.090 404 F CA 1.161 59.319 58.000 0.263 0.000 1.293 404 F CB -0.281 38.792 39.000 0.122 0.000 1.013 404 F HN 0.453 nan 8.300 nan 0.000 0.486 405 A N 0.043 123.058 122.820 0.325 0.000 1.877 405 A HA -0.187 4.132 4.320 -0.000 0.000 0.216 405 A C 1.994 179.721 177.584 0.239 0.000 1.186 405 A CA 2.116 54.303 52.037 0.249 0.000 0.620 405 A CB -0.825 18.296 19.000 0.201 0.000 0.822 405 A HN 0.268 nan 8.150 nan 0.000 0.443 406 D N -1.990 118.554 120.400 0.240 0.000 2.149 406 D HA -0.098 4.541 4.640 -0.000 0.000 0.201 406 D C 1.666 178.186 176.300 0.366 0.000 0.972 406 D CA 1.201 55.359 54.000 0.265 0.000 0.835 406 D CB -0.419 40.514 40.800 0.221 0.000 0.966 406 D HN 0.564 nan 8.370 nan 0.000 0.476 407 Y N 1.604 122.053 120.300 0.248 0.000 2.145 407 Y HA -0.094 4.456 4.550 -0.000 0.000 0.286 407 Y C 2.373 178.360 175.900 0.146 0.000 1.145 407 Y CA 1.978 60.104 58.100 0.043 0.000 1.148 407 Y CB -0.535 37.983 38.460 0.096 0.000 0.981 407 Y HN -0.028 nan 8.280 nan 0.000 0.507 408 G N -0.308 108.620 108.800 0.214 0.000 2.422 408 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 408 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 408 G C 1.767 176.671 174.900 0.007 0.000 1.146 408 G CA 0.731 45.877 45.100 0.077 0.000 0.769 408 G HN 0.351 nan 8.290 nan 0.000 0.547 409 R N 0.026 120.569 120.500 0.071 0.000 2.090 409 R HA 0.010 4.349 4.340 -0.000 0.000 0.228 409 R C 2.066 178.412 176.300 0.077 0.000 1.110 409 R CA 1.159 57.313 56.100 0.090 0.000 0.973 409 R CB -0.134 30.247 30.300 0.136 0.000 0.869 409 R HN 0.203 nan 8.270 nan 0.000 0.440 410 D N 0.112 120.546 120.400 0.057 0.000 2.117 410 D HA -0.085 4.554 4.640 -0.000 0.000 0.198 410 D C 2.012 178.290 176.300 -0.037 0.000 0.982 410 D CA 0.924 54.948 54.000 0.040 0.000 0.828 410 D CB 0.081 40.945 40.800 0.108 0.000 0.967 410 D HN 0.004 nan 8.370 nan 0.000 0.464 411 R N 0.524 120.947 120.500 -0.129 0.000 2.075 411 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 411 R C 2.587 178.922 176.300 0.059 0.000 1.126 411 R CA 0.302 56.375 56.100 -0.045 0.000 0.963 411 R CB -1.094 29.169 30.300 -0.063 0.000 0.858 411 R HN 0.302 nan 8.270 nan 0.000 0.435 412 L N 1.180 122.435 121.223 0.053 0.000 2.083 412 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 412 L C 2.492 179.494 176.870 0.221 0.000 1.083 412 L CA 1.747 56.654 54.840 0.112 0.000 0.752 412 L CB -0.601 41.503 42.059 0.075 0.000 0.899 412 L HN 0.271 nan 8.230 nan 0.000 0.433 413 S N -0.150 115.662 115.700 0.185 0.000 2.402 413 S HA -0.144 4.325 4.470 -0.000 0.000 0.229 413 S C 1.905 176.556 174.600 0.084 0.000 1.021 413 S CA 0.838 59.163 58.200 0.208 0.000 0.974 413 S CB -0.616 62.652 63.200 0.114 0.000 0.800 413 S HN 0.371 nan 8.310 nan 0.000 0.484 414 L N -0.211 120.979 121.223 -0.054 0.000 2.217 414 L HA 0.004 4.344 4.340 -0.000 0.000 0.211 414 L C 2.591 179.409 176.870 -0.086 0.000 1.107 414 L CA 1.389 56.078 54.840 -0.252 0.000 0.783 414 L CB -0.623 40.963 42.059 -0.788 0.000 0.919 414 L HN 0.371 nan 8.230 nan 0.000 0.442 415 Y N 0.361 120.639 120.300 -0.037 0.000 2.114 415 Y HA -0.267 4.282 4.550 -0.000 0.000 0.284 415 Y C 2.213 178.071 175.900 -0.071 0.000 1.143 415 Y CA 1.415 59.540 58.100 0.040 0.000 1.135 415 Y CB -0.532 37.921 38.460 -0.011 0.000 0.980 415 Y HN -0.031 nan 8.280 nan 0.000 0.499 416 F N 0.732 120.557 119.950 -0.208 0.000 2.171 416 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 416 F C 2.786 178.389 175.800 -0.329 0.000 1.090 416 F CA 1.824 59.608 58.000 -0.360 0.000 1.293 416 F CB -1.181 37.750 39.000 -0.115 0.000 1.013 416 F HN -0.011 nan 8.300 nan 0.000 0.486 417 K N -0.701 119.624 120.400 -0.125 0.000 2.147 417 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 417 K C 1.394 177.697 176.600 -0.495 0.000 1.049 417 K CA 1.657 57.743 56.287 -0.335 0.000 0.936 417 K CB -0.784 31.432 32.500 -0.473 0.000 0.722 417 K HN 0.488 nan 8.250 nan 0.000 0.446 418 H N -1.186 117.819 119.070 -0.108 0.000 2.592 418 H HA 0.318 4.874 4.556 -0.000 0.000 0.279 418 H C 1.584 176.823 175.328 -0.147 0.000 1.089 418 H CA 0.114 56.108 56.048 -0.090 0.000 1.150 418 H CB 0.526 30.283 29.762 -0.008 0.000 1.575 418 H HN 0.360 nan 8.280 nan 0.000 0.547 419 K N 1.370 121.628 120.400 -0.235 0.000 2.160 419 K HA -0.245 4.074 4.320 -0.000 0.000 0.206 419 K C 2.023 178.534 176.600 -0.148 0.000 1.047 419 K CA 1.448 57.513 56.287 -0.370 0.000 0.930 419 K CB 0.371 32.493 32.500 -0.630 0.000 0.720 419 K HN 0.051 nan 8.250 nan 0.000 0.450 420 Q N 1.006 120.751 119.800 -0.092 0.000 2.170 420 Q HA -0.093 4.246 4.340 -0.000 0.000 0.203 420 Q C 1.800 177.804 176.000 0.006 0.000 0.976 420 Q CA 1.399 57.184 55.803 -0.030 0.000 0.858 420 Q CB -0.166 28.556 28.738 -0.027 0.000 0.907 420 Q HN 0.447 nan 8.270 nan 0.000 0.433 421 L N -0.421 120.811 121.223 0.014 0.000 2.131 421 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 421 L C 2.096 178.967 176.870 0.002 0.000 1.092 421 L CA 0.698 55.549 54.840 0.018 0.000 0.759 421 L CB -0.479 41.597 42.059 0.027 0.000 0.903 421 L HN 0.311 nan 8.230 nan 0.000 0.435 422 L N -0.236 120.987 121.223 -0.000 0.000 2.127 422 L HA -0.095 4.244 4.340 -0.000 0.000 0.203 422 L C 2.696 179.554 176.870 -0.021 0.000 1.080 422 L CA 1.549 56.366 54.840 -0.038 0.000 0.768 422 L CB -0.530 41.533 42.059 0.007 0.000 0.924 422 L HN -0.068 nan 8.230 nan 0.000 0.444 423 K N -0.042 120.386 120.400 0.047 0.000 2.152 423 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 423 K C 1.880 178.543 176.600 0.105 0.000 1.048 423 K CA 1.872 58.201 56.287 0.070 0.000 0.933 423 K CB -1.088 31.506 32.500 0.157 0.000 0.721 423 K HN 0.742 nan 8.250 nan 0.000 0.447 424 N N 0.204 118.938 118.700 0.057 0.000 2.258 424 N HA -0.075 4.665 4.740 -0.000 0.000 0.187 424 N C 1.620 177.151 175.510 0.036 0.000 1.012 424 N CA 1.378 54.453 53.050 0.042 0.000 0.870 424 N CB -0.261 38.241 38.487 0.025 0.000 0.977 424 N HN 0.268 nan 8.380 nan 0.000 0.434 425 L N 0.561 121.803 121.223 0.032 0.000 2.450 425 L HA -0.032 4.308 4.340 -0.000 0.000 0.224 425 L C 1.238 178.100 176.870 -0.013 0.000 1.149 425 L CA -0.248 54.589 54.840 -0.004 0.000 0.816 425 L CB -0.479 41.550 42.059 -0.051 0.000 0.932 425 L HN 0.170 nan 8.230 nan 0.000 0.449 426 A N 0.000 122.838 122.820 0.029 0.000 2.254 426 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 426 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 426 A CB 0.000 19.012 19.000 0.019 0.000 0.831 426 A HN 0.000 nan 8.150 nan 0.000 0.486