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 1uwl_1_A DATA FIRST_RESID 5 DATA SEQUENCE NNYRDVEIRA PRGNKLTAKS WLTEAPLRML MNNLDPQVAE NPKELVVYGG DATA SEQUENCE IGRAARNWEC YDKIVETLTR LEDDETLLVQ SGKPVGVFKT HSNAPRVLIA DATA SEQUENCE NSNLVPHWAN WEHFNELDAK GLAMYGQMTA GSWIYIGSQG IVQGTYETFV DATA SEQUENCE EAGRQHYGGS LKGKWVLTAG LGGMGGAQPL AATLAGACSL NIESQQSRID DATA SEQUENCE FRLETRYVDE QATDLDDALV RIAKYTAEGK AISIALHGNA AEILPELVKR DATA SEQUENCE GVRPDMVTDQ TSAHDPLNGY LPAGWTWEQY RDRAQTEPAA VVKAAKQSMA DATA SEQUENCE VHVQAMLDFQ KQGVPTFDYG NNIRQMAKEE GVANAFDFPG FVPAYIRPLF DATA SEQUENCE CRGVGPFRWA ALSGEAEDIY KTDAKVKELI PDDAHLHRWL DMARERISFQ DATA SEQUENCE GLPARICWVG LGLRAKLGLA FNEMVRSGEL SAPVVIGRDH LDSGSVSSPN DATA SEQUENCE RETEAMRDGS DAVSDWPLLN ALLNTAGGAT WVSLHHGGGV GMGFSQHSGM DATA SEQUENCE VIVCDGTDEA AERIARVLTN DPGTGVMRHA DAGYDIAIDC AKEQGLDLPM DATA SEQUENCE I 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.699 175.510 0.315 0.000 1.280 5 N CA 0.000 53.174 53.050 0.207 0.000 0.885 5 N CB 0.000 38.572 38.487 0.141 0.000 1.341 6 N N -1.273 117.618 118.700 0.318 0.000 2.220 6 N HA 0.129 4.867 4.740 -0.004 0.000 0.195 6 N C -0.901 174.948 175.510 0.565 0.000 1.123 6 N CA -0.072 53.183 53.050 0.341 0.000 0.874 6 N CB 1.348 39.952 38.487 0.195 0.000 0.995 6 N HN 0.198 nan 8.380 nan 0.000 0.498 7 Y N 1.626 122.138 120.300 0.353 0.000 2.335 7 Y HA 0.468 5.016 4.550 -0.004 0.000 0.338 7 Y C -0.825 175.016 175.900 -0.098 0.000 0.977 7 Y CA -0.910 57.325 58.100 0.225 0.000 1.114 7 Y CB 0.752 39.274 38.460 0.104 0.000 1.182 7 Y HN -0.252 nan 8.280 nan 0.000 0.463 8 R N 4.373 124.258 120.500 -1.025 0.000 2.574 8 R HA 0.198 4.535 4.340 -0.004 0.000 0.288 8 R C -1.681 173.918 176.300 -1.169 0.000 1.004 8 R CA -0.689 54.651 56.100 -1.267 0.000 0.895 8 R CB 1.158 30.259 30.300 -1.999 0.000 1.191 8 R HN 0.719 nan 8.270 nan 0.000 0.444 9 D N 4.658 124.563 120.400 -0.825 0.000 2.631 9 D HA 0.174 4.812 4.640 -0.004 0.000 0.227 9 D C -0.744 175.348 176.300 -0.347 0.000 1.146 9 D CA -0.086 53.615 54.000 -0.498 0.000 1.009 9 D CB 0.264 40.959 40.800 -0.175 0.000 1.057 9 D HN 0.296 nan 8.370 nan 0.000 0.509 10 V N -0.633 119.052 119.914 -0.381 0.000 2.962 10 V HA 0.619 4.736 4.120 -0.004 0.000 0.313 10 V C -0.307 175.695 176.094 -0.152 0.000 1.099 10 V CA -1.058 61.085 62.300 -0.262 0.000 0.971 10 V CB 2.158 33.786 31.823 -0.325 0.000 1.028 10 V HN 0.076 nan 8.190 nan 0.000 0.430 11 E N 2.889 123.038 120.200 -0.085 0.000 2.134 11 E HA 0.641 4.988 4.350 -0.004 0.000 0.278 11 E C -1.178 175.418 176.600 -0.006 0.000 0.959 11 E CA -0.419 55.963 56.400 -0.030 0.000 0.783 11 E CB 2.227 31.916 29.700 -0.020 0.000 1.095 11 E HN 0.653 nan 8.360 nan 0.000 0.399 12 I N 3.930 124.516 120.570 0.025 0.000 2.441 12 I HA 0.447 4.614 4.170 -0.004 0.000 0.295 12 I C -0.124 176.029 176.117 0.061 0.000 0.994 12 I CA -0.694 60.637 61.300 0.052 0.000 1.144 12 I CB 1.254 39.295 38.000 0.068 0.000 1.314 12 I HN 0.431 nan 8.210 nan 0.000 0.445 13 R N 4.729 125.266 120.500 0.061 0.000 2.707 13 R HA 0.807 5.145 4.340 -0.004 0.000 0.272 13 R C -1.264 175.070 176.300 0.057 0.000 1.011 13 R CA -0.973 55.164 56.100 0.062 0.000 0.893 13 R CB 1.498 31.829 30.300 0.053 0.000 1.233 13 R HN 0.546 nan 8.270 nan 0.000 0.464 14 A N 3.019 125.873 122.820 0.057 0.000 2.511 14 A HA 0.321 4.639 4.320 -0.004 0.000 0.242 14 A C -1.972 175.637 177.584 0.042 0.000 1.069 14 A CA -0.981 51.086 52.037 0.050 0.000 0.763 14 A CB -0.493 18.544 19.000 0.061 0.000 1.001 14 A HN 0.542 nan 8.150 nan 0.000 0.498 15 P HA 0.162 nan 4.420 nan 0.000 0.267 15 P C -0.275 177.055 177.300 0.050 0.000 1.200 15 P CA 0.186 63.303 63.100 0.028 0.000 0.772 15 P CB 0.422 32.124 31.700 0.005 0.000 0.855 16 R N 1.015 121.544 120.500 0.048 0.000 2.902 16 R HA 0.752 5.090 4.340 -0.004 0.000 0.258 16 R C 0.714 177.064 176.300 0.083 0.000 1.071 16 R CA -0.155 55.982 56.100 0.062 0.000 1.024 16 R CB 0.742 31.066 30.300 0.039 0.000 1.184 16 R HN 0.813 nan 8.270 nan 0.000 0.492 17 G N 0.997 109.856 108.800 0.099 0.000 2.642 17 G HA2 -0.318 3.640 3.960 -0.004 0.000 0.231 17 G HA3 -0.318 3.640 3.960 -0.004 0.000 0.231 17 G C 0.017 175.049 174.900 0.220 0.000 1.338 17 G CA 0.190 45.358 45.100 0.114 0.000 0.883 17 G HN 0.619 nan 8.290 nan 0.000 0.570 18 N N 0.087 118.911 118.700 0.207 0.000 2.280 18 N HA 0.135 4.873 4.740 -0.004 0.000 0.192 18 N C 0.661 176.312 175.510 0.234 0.000 1.109 18 N CA 0.118 53.377 53.050 0.347 0.000 0.855 18 N CB 0.364 38.999 38.487 0.247 0.000 0.974 18 N HN 0.405 nan 8.380 nan 0.000 0.482 19 K N 1.539 121.988 120.400 0.082 0.000 2.322 19 K HA 0.144 4.461 4.320 -0.004 0.000 0.283 19 K C -0.795 175.708 176.600 -0.162 0.000 1.042 19 K CA -0.354 55.918 56.287 -0.025 0.000 0.958 19 K CB 0.497 32.986 32.500 -0.018 0.000 0.984 19 K HN -0.046 nan 8.250 nan 0.000 0.473 20 L N 3.292 124.354 121.223 -0.268 0.000 2.350 20 L HA 0.205 4.543 4.340 -0.004 0.000 0.275 20 L C 1.593 178.326 176.870 -0.228 0.000 1.099 20 L CA 0.304 54.908 54.840 -0.394 0.000 0.808 20 L CB 1.221 42.997 42.059 -0.472 0.000 1.149 20 L HN 0.691 nan 8.230 nan 0.000 0.442 21 T N 0.688 115.115 114.554 -0.212 0.000 2.953 21 T HA 0.234 4.582 4.350 -0.004 0.000 0.247 21 T C 0.854 175.466 174.700 -0.147 0.000 1.029 21 T CA 0.680 62.693 62.100 -0.145 0.000 1.144 21 T CB 0.191 68.985 68.868 -0.124 0.000 0.870 21 T HN 0.668 nan 8.240 nan 0.000 0.446 22 A N 1.255 123.968 122.820 -0.178 0.000 2.267 22 A HA 0.347 4.664 4.320 -0.004 0.000 0.271 22 A C 1.215 178.704 177.584 -0.158 0.000 1.131 22 A CA -0.195 51.749 52.037 -0.154 0.000 0.818 22 A CB 0.362 19.275 19.000 -0.146 0.000 1.118 22 A HN 0.286 nan 8.150 nan 0.000 0.501 23 K N -0.471 119.861 120.400 -0.114 0.000 2.296 23 K HA 0.038 4.355 4.320 -0.004 0.000 0.200 23 K C 0.370 176.914 176.600 -0.094 0.000 1.048 23 K CA 1.205 57.438 56.287 -0.090 0.000 0.966 23 K CB -0.115 32.354 32.500 -0.051 0.000 0.754 23 K HN 0.767 nan 8.250 nan 0.000 0.466 24 S N -2.494 113.139 115.700 -0.111 0.000 2.643 24 S HA 0.174 4.642 4.470 -0.004 0.000 0.270 24 S C -0.434 174.101 174.600 -0.108 0.000 1.166 24 S CA -1.042 57.110 58.200 -0.079 0.000 0.815 24 S CB -0.078 63.143 63.200 0.035 0.000 1.139 24 S HN 0.250 nan 8.310 nan 0.000 0.472 25 W N 0.372 121.699 121.300 0.044 0.000 2.467 25 W HA 0.231 4.888 4.660 -0.004 0.000 0.275 25 W C 1.942 178.513 176.519 0.088 0.000 1.239 25 W CA 0.314 57.695 57.345 0.059 0.000 1.266 25 W CB -0.199 29.297 29.460 0.059 0.000 1.112 25 W HN 0.519 nan 8.180 nan 0.000 0.576 26 L N -0.161 121.237 121.223 0.291 0.000 2.201 26 L HA -0.155 4.183 4.340 -0.004 0.000 0.212 26 L C 2.394 179.382 176.870 0.197 0.000 1.105 26 L CA 1.780 56.769 54.840 0.248 0.000 0.775 26 L CB -1.137 41.036 42.059 0.191 0.000 0.913 26 L HN 0.098 nan 8.230 nan 0.000 0.440 27 T N -5.035 109.582 114.554 0.104 0.000 3.023 27 T HA -0.027 4.321 4.350 -0.004 0.000 0.249 27 T C 1.583 176.267 174.700 -0.026 0.000 1.050 27 T CA 0.260 62.377 62.100 0.028 0.000 1.088 27 T CB 0.243 69.106 68.868 -0.009 0.000 0.946 27 T HN 0.049 nan 8.240 nan 0.000 0.480 28 E N 2.376 122.553 120.200 -0.038 0.000 2.077 28 E HA 0.021 4.368 4.350 -0.004 0.000 0.193 28 E C 2.280 178.914 176.600 0.056 0.000 0.989 28 E CA 1.457 57.807 56.400 -0.083 0.000 0.800 28 E CB -0.780 28.738 29.700 -0.303 0.000 0.746 28 E HN 0.589 nan 8.360 nan 0.000 0.452 29 A N 1.276 124.227 122.820 0.218 0.000 1.851 29 A HA -0.128 4.189 4.320 -0.004 0.000 0.216 29 A C -0.174 177.479 177.584 0.114 0.000 1.195 29 A CA 2.002 54.231 52.037 0.320 0.000 0.622 29 A CB -1.855 17.463 19.000 0.529 0.000 0.831 29 A HN 0.403 nan 8.150 nan 0.000 0.444 30 P HA -0.126 nan 4.420 nan 0.000 0.218 30 P C 1.827 178.868 177.300 -0.432 0.000 1.149 30 P CA 0.994 63.658 63.100 -0.727 0.000 0.817 30 P CB -0.196 31.011 31.700 -0.823 0.000 0.785 31 L N -0.245 120.801 121.223 -0.294 0.000 2.012 31 L HA -0.155 4.182 4.340 -0.004 0.000 0.210 31 L C 2.774 179.525 176.870 -0.199 0.000 1.073 31 L CA 1.772 56.440 54.840 -0.287 0.000 0.748 31 L CB -0.309 41.631 42.059 -0.198 0.000 0.891 31 L HN -0.188 nan 8.230 nan 0.000 0.431 32 R N -1.112 119.344 120.500 -0.074 0.000 2.092 32 R HA -0.093 4.245 4.340 -0.004 0.000 0.231 32 R C 2.149 178.468 176.300 0.032 0.000 1.119 32 R CA 1.304 57.410 56.100 0.009 0.000 0.970 32 R CB -0.246 30.111 30.300 0.094 0.000 0.864 32 R HN 0.361 nan 8.270 nan 0.000 0.440 33 M N 0.404 120.044 119.600 0.067 0.000 2.254 33 M HA -0.060 4.417 4.480 -0.004 0.000 0.265 33 M C 2.201 178.549 176.300 0.079 0.000 1.066 33 M CA 0.964 56.372 55.300 0.181 0.000 1.123 33 M CB -0.855 32.009 32.600 0.440 0.000 1.388 33 M HN 0.134 nan 8.290 nan 0.000 0.425 34 L N 0.805 121.882 121.223 -0.243 0.000 2.017 34 L HA -0.132 4.206 4.340 -0.004 0.000 0.208 34 L C 2.191 178.965 176.870 -0.161 0.000 1.073 34 L CA 1.899 56.402 54.840 -0.563 0.000 0.745 34 L CB -0.615 40.718 42.059 -1.210 0.000 0.894 34 L HN 0.214 nan 8.230 nan 0.000 0.432 35 M N -0.552 119.004 119.600 -0.073 0.000 2.175 35 M HA -0.171 4.307 4.480 -0.004 0.000 0.264 35 M C 2.071 178.416 176.300 0.075 0.000 1.063 35 M CA 1.858 57.188 55.300 0.048 0.000 1.119 35 M CB -0.619 32.010 32.600 0.049 0.000 1.377 35 M HN 0.433 nan 8.290 nan 0.000 0.415 36 N N 0.878 119.628 118.700 0.083 0.000 2.166 36 N HA -0.155 4.582 4.740 -0.004 0.000 0.186 36 N C 1.231 176.844 175.510 0.171 0.000 1.019 36 N CA 1.345 54.467 53.050 0.121 0.000 0.856 36 N CB -0.155 38.409 38.487 0.127 0.000 0.993 36 N HN 0.168 nan 8.380 nan 0.000 0.426 37 N N -0.241 118.575 118.700 0.193 0.000 2.348 37 N HA -0.055 4.683 4.740 -0.004 0.000 0.185 37 N C 0.677 176.305 175.510 0.196 0.000 1.019 37 N CA 0.749 53.952 53.050 0.254 0.000 0.880 37 N CB -0.022 38.631 38.487 0.277 0.000 0.965 37 N HN 0.375 nan 8.380 nan 0.000 0.437 38 L N -0.635 120.669 121.223 0.135 0.000 2.728 38 L HA 0.169 4.507 4.340 -0.004 0.000 0.238 38 L C 0.265 177.207 176.870 0.119 0.000 1.143 38 L CA -0.280 54.621 54.840 0.103 0.000 0.937 38 L CB 0.142 42.219 42.059 0.030 0.000 1.225 38 L HN 0.022 nan 8.230 nan 0.000 0.507 39 D N 1.727 122.211 120.400 0.141 0.000 2.458 39 D HA 0.000 4.638 4.640 -0.004 0.000 0.243 39 D C -1.591 174.799 176.300 0.149 0.000 1.146 39 D CA -1.291 52.787 54.000 0.130 0.000 0.877 39 D CB 1.838 42.718 40.800 0.133 0.000 1.176 39 D HN -0.083 nan 8.370 nan 0.000 0.461 40 P HA -0.147 nan 4.420 nan 0.000 0.220 40 P C 0.973 178.346 177.300 0.123 0.000 1.144 40 P CA 1.128 64.276 63.100 0.080 0.000 0.800 40 P CB 0.177 31.890 31.700 0.023 0.000 0.772 41 Q N -1.049 118.861 119.800 0.183 0.000 2.424 41 Q HA 0.013 4.351 4.340 -0.004 0.000 0.204 41 Q C 1.357 177.602 176.000 0.409 0.000 0.933 41 Q CA 0.513 56.488 55.803 0.287 0.000 0.929 41 Q CB 0.150 29.008 28.738 0.200 0.000 1.037 41 Q HN 0.070 nan 8.270 nan 0.000 0.511 42 V N -0.130 119.991 119.914 0.345 0.000 2.627 42 V HA 0.265 4.382 4.120 -0.004 0.000 0.239 42 V C 0.794 177.139 176.094 0.417 0.000 1.077 42 V CA 0.763 63.254 62.300 0.318 0.000 1.103 42 V CB 0.315 32.301 31.823 0.271 0.000 0.802 42 V HN 0.304 nan 8.190 nan 0.000 0.482 43 A N 0.085 123.138 122.820 0.388 0.000 2.302 43 A HA 0.385 4.703 4.320 -0.004 0.000 0.285 43 A C 1.083 178.900 177.584 0.388 0.000 1.105 43 A CA -0.273 51.955 52.037 0.318 0.000 0.816 43 A CB 0.491 19.621 19.000 0.216 0.000 1.067 43 A HN 0.313 nan 8.150 nan 0.000 0.489 44 E N 0.487 120.860 120.200 0.289 0.000 2.072 44 E HA -0.102 4.246 4.350 -0.004 0.000 0.190 44 E C 0.022 176.774 176.600 0.254 0.000 0.982 44 E CA 1.280 57.872 56.400 0.319 0.000 0.803 44 E CB 0.093 29.919 29.700 0.211 0.000 0.755 44 E HN 0.644 nan 8.360 nan 0.000 0.453 45 N N -0.597 118.218 118.700 0.192 0.000 2.666 45 N HA 0.074 4.812 4.740 -0.004 0.000 0.253 45 N C -2.402 173.204 175.510 0.160 0.000 1.621 45 N CA -1.032 52.121 53.050 0.171 0.000 0.785 45 N CB 0.847 39.440 38.487 0.177 0.000 1.332 45 N HN -0.191 nan 8.380 nan 0.000 0.514 46 P HA -0.051 nan 4.420 nan 0.000 0.229 46 P C 0.650 178.072 177.300 0.204 0.000 1.160 46 P CA 0.730 63.911 63.100 0.135 0.000 0.777 46 P CB 0.465 32.239 31.700 0.123 0.000 0.814 47 K N 0.326 120.839 120.400 0.187 0.000 2.283 47 K HA -0.083 4.235 4.320 -0.004 0.000 0.202 47 K C 1.389 178.191 176.600 0.337 0.000 1.048 47 K CA 0.998 57.376 56.287 0.152 0.000 0.948 47 K CB -0.097 32.392 32.500 -0.018 0.000 0.742 47 K HN 0.299 nan 8.250 nan 0.000 0.458 48 E N 0.430 120.828 120.200 0.330 0.000 2.451 48 E HA 0.139 4.486 4.350 -0.004 0.000 0.194 48 E C -0.214 176.462 176.600 0.127 0.000 1.027 48 E CA -0.084 56.505 56.400 0.316 0.000 0.914 48 E CB 0.147 30.014 29.700 0.277 0.000 1.054 48 E HN 0.132 nan 8.360 nan 0.000 0.461 49 L N -0.601 120.641 121.223 0.032 0.000 4.696 49 L HA -0.221 4.117 4.340 -0.004 0.000 0.425 49 L C -0.234 176.612 176.870 -0.039 0.000 1.115 49 L CA 0.045 54.783 54.840 -0.170 0.000 0.996 49 L CB -1.624 40.184 42.059 -0.417 0.000 2.077 49 L HN 0.021 nan 8.230 nan 0.000 0.792 50 V N 0.330 120.269 119.914 0.042 0.000 2.432 50 V HA 0.181 4.299 4.120 -0.004 0.000 0.275 50 V C 1.238 177.361 176.094 0.049 0.000 1.043 50 V CA 0.159 62.489 62.300 0.052 0.000 0.925 50 V CB 1.679 33.560 31.823 0.097 0.000 0.985 50 V HN 0.107 nan 8.190 nan 0.000 0.466 51 V N 4.827 124.735 119.914 -0.010 0.000 2.403 51 V HA 0.172 4.289 4.120 -0.004 0.000 0.239 51 V C 0.245 176.305 176.094 -0.057 0.000 1.041 51 V CA 1.112 63.380 62.300 -0.053 0.000 1.051 51 V CB -0.300 31.456 31.823 -0.110 0.000 0.704 51 V HN 0.935 nan 8.190 nan 0.000 0.472 52 Y N -2.679 117.479 120.300 -0.235 0.000 2.818 52 Y HA 0.644 5.192 4.550 -0.004 0.000 0.341 52 Y C 0.187 176.080 175.900 -0.011 0.000 1.283 52 Y CA -0.872 57.137 58.100 -0.151 0.000 1.075 52 Y CB 0.795 39.071 38.460 -0.307 0.000 1.370 52 Y HN 0.380 nan 8.280 nan 0.000 0.448 53 G N 0.981 109.863 108.800 0.137 0.000 2.324 53 G HA2 0.316 4.273 3.960 -0.004 0.000 0.292 53 G HA3 0.316 4.273 3.960 -0.004 0.000 0.292 53 G C 1.007 176.068 174.900 0.267 0.000 1.079 53 G CA 1.200 46.356 45.100 0.094 0.000 1.026 53 G HN 2.814 nan 8.290 nan 0.000 0.506 54 G N -0.215 108.767 108.800 0.302 0.000 2.536 54 G HA2 -0.133 3.824 3.960 -0.004 0.000 0.277 54 G HA3 -0.133 3.824 3.960 -0.004 0.000 0.277 54 G C 0.884 175.895 174.900 0.184 0.000 1.155 54 G CA 0.875 46.130 45.100 0.257 0.000 0.960 54 G HN 2.054 nan 8.290 nan 0.000 0.544 55 I N 0.519 121.203 120.570 0.190 0.000 3.712 55 I HA 0.598 4.765 4.170 -0.004 0.000 0.342 55 I C 1.005 177.264 176.117 0.237 0.000 1.487 55 I CA 0.109 61.518 61.300 0.181 0.000 1.179 55 I CB -0.037 38.046 38.000 0.138 0.000 1.403 55 I HN 0.735 nan 8.210 nan 0.000 0.444 56 G N 2.352 111.194 108.800 0.070 0.000 2.367 56 G HA2 0.314 4.272 3.960 -0.004 0.000 0.280 56 G HA3 0.314 4.272 3.960 -0.004 0.000 0.280 56 G C -0.086 174.734 174.900 -0.134 0.000 1.175 56 G CA -0.399 44.561 45.100 -0.233 0.000 1.001 56 G HN 0.478 nan 8.290 nan 0.000 0.437 57 R N 1.583 122.059 120.500 -0.041 0.000 2.787 57 R HA 0.531 4.869 4.340 -0.004 0.000 0.271 57 R C 0.949 177.280 176.300 0.052 0.000 0.993 57 R CA -0.455 55.650 56.100 0.008 0.000 0.993 57 R CB 1.888 32.213 30.300 0.041 0.000 1.155 57 R HN 0.478 nan 8.270 nan 0.000 0.486 58 A N 0.762 123.633 122.820 0.085 0.000 2.030 58 A HA 0.344 4.661 4.320 -0.004 0.000 0.215 58 A C 0.435 178.209 177.584 0.317 0.000 1.164 58 A CA 1.194 53.385 52.037 0.256 0.000 0.697 58 A CB 0.245 19.355 19.000 0.183 0.000 0.827 58 A HN 0.650 nan 8.150 nan 0.000 0.457 59 A N -1.865 121.024 122.820 0.115 0.000 2.609 59 A HA 0.624 4.941 4.320 -0.004 0.000 0.291 59 A C 0.587 178.175 177.584 0.007 0.000 1.096 59 A CA -0.049 52.051 52.037 0.105 0.000 0.684 59 A CB 0.436 19.498 19.000 0.103 0.000 1.282 59 A HN 0.145 nan 8.150 nan 0.000 0.412 60 R N -0.052 120.465 120.500 0.029 0.000 2.092 60 R HA -0.089 4.249 4.340 -0.004 0.000 0.231 60 R C 0.246 176.534 176.300 -0.019 0.000 1.119 60 R CA 2.234 58.347 56.100 0.022 0.000 0.970 60 R CB -0.150 30.171 30.300 0.034 0.000 0.864 60 R HN 0.912 nan 8.270 nan 0.000 0.440 61 N N -4.134 114.532 118.700 -0.057 0.000 3.179 61 N HA 0.007 4.744 4.740 -0.004 0.000 0.250 61 N C -0.644 174.805 175.510 -0.101 0.000 1.507 61 N CA -0.787 52.216 53.050 -0.079 0.000 0.883 61 N CB -0.534 37.979 38.487 0.042 0.000 1.435 61 N HN -0.092 nan 8.380 nan 0.000 0.532 62 W N -0.260 121.089 121.300 0.081 0.000 2.436 62 W HA 0.180 4.837 4.660 -0.004 0.000 0.284 62 W C 2.066 178.660 176.519 0.125 0.000 1.225 62 W CA 0.858 58.260 57.345 0.095 0.000 1.271 62 W CB 0.113 29.591 29.460 0.029 0.000 1.114 62 W HN 0.752 nan 8.180 nan 0.000 0.559 63 E N -0.279 120.082 120.200 0.268 0.000 2.085 63 E HA -0.241 4.107 4.350 -0.004 0.000 0.194 63 E C 1.874 178.552 176.600 0.129 0.000 0.994 63 E CA 1.835 58.339 56.400 0.174 0.000 0.801 63 E CB -0.328 29.442 29.700 0.118 0.000 0.743 63 E HN 0.188 nan 8.360 nan 0.000 0.453 64 C N 0.163 119.526 119.300 0.105 0.000 2.425 64 C HA -0.127 4.331 4.460 -0.004 0.000 0.277 64 C C 2.457 177.487 174.990 0.066 0.000 1.280 64 C CA 0.811 59.871 59.018 0.071 0.000 1.744 64 C CB -1.248 26.526 27.740 0.058 0.000 1.989 64 C HN 0.593 nan 8.230 nan 0.000 0.491 65 Y N 2.437 122.720 120.300 -0.029 0.000 2.070 65 Y HA -0.231 4.317 4.550 -0.004 0.000 0.280 65 Y C 2.178 178.083 175.900 0.008 0.000 1.148 65 Y CA 2.197 60.262 58.100 -0.058 0.000 1.125 65 Y CB -0.492 37.881 38.460 -0.144 0.000 0.975 65 Y HN 0.280 nan 8.280 nan 0.000 0.492 66 D N 0.263 120.728 120.400 0.108 0.000 2.133 66 D HA -0.205 4.433 4.640 -0.004 0.000 0.195 66 D C 2.014 178.253 176.300 -0.101 0.000 0.997 66 D CA 1.778 55.781 54.000 0.005 0.000 0.840 66 D CB -0.307 40.572 40.800 0.132 0.000 0.947 66 D HN 0.222 nan 8.370 nan 0.000 0.452 67 K N 0.503 120.871 120.400 -0.053 0.000 2.155 67 K HA 0.045 4.362 4.320 -0.004 0.000 0.203 67 K C 2.025 178.567 176.600 -0.097 0.000 1.052 67 K CA 0.439 56.693 56.287 -0.055 0.000 0.948 67 K CB -0.295 32.197 32.500 -0.014 0.000 0.728 67 K HN 0.136 nan 8.250 nan 0.000 0.448 68 I N -0.391 120.095 120.570 -0.140 0.000 2.202 68 I HA -0.244 3.924 4.170 -0.004 0.000 0.242 68 I C 1.925 177.889 176.117 -0.255 0.000 1.091 68 I CA 0.798 62.002 61.300 -0.161 0.000 1.368 68 I CB -0.176 37.729 38.000 -0.159 0.000 1.058 68 I HN -0.096 nan 8.210 nan 0.000 0.410 69 V N 0.749 120.431 119.914 -0.387 0.000 2.343 69 V HA -0.307 3.811 4.120 -0.004 0.000 0.247 69 V C 2.494 178.459 176.094 -0.215 0.000 1.051 69 V CA 2.189 64.272 62.300 -0.362 0.000 1.036 69 V CB -0.635 30.910 31.823 -0.463 0.000 0.654 69 V HN 0.503 nan 8.190 nan 0.000 0.451 70 E N -0.102 119.998 120.200 -0.167 0.000 2.077 70 E HA -0.213 4.134 4.350 -0.004 0.000 0.193 70 E C 2.182 178.725 176.600 -0.095 0.000 0.989 70 E CA 1.903 58.239 56.400 -0.107 0.000 0.800 70 E CB -0.091 29.562 29.700 -0.077 0.000 0.746 70 E HN 0.639 nan 8.360 nan 0.000 0.452 71 T N 1.456 115.954 114.554 -0.094 0.000 2.770 71 T HA -0.098 4.249 4.350 -0.004 0.000 0.263 71 T C 1.726 176.381 174.700 -0.075 0.000 1.039 71 T CA 0.604 62.661 62.100 -0.072 0.000 1.142 71 T CB -0.147 68.689 68.868 -0.053 0.000 0.868 71 T HN 0.069 nan 8.240 nan 0.000 0.435 72 L N 1.570 122.734 121.223 -0.098 0.000 2.081 72 L HA -0.105 4.233 4.340 -0.004 0.000 0.212 72 L C 2.689 179.500 176.870 -0.099 0.000 1.080 72 L CA 1.769 56.548 54.840 -0.102 0.000 0.754 72 L CB -1.824 40.139 42.059 -0.160 0.000 0.893 72 L HN 0.299 nan 8.230 nan 0.000 0.433 73 T N -0.526 113.963 114.554 -0.108 0.000 2.867 73 T HA -0.162 4.186 4.350 -0.004 0.000 0.268 73 T C 1.738 176.391 174.700 -0.079 0.000 1.057 73 T CA 1.438 63.478 62.100 -0.100 0.000 1.136 73 T CB -0.109 68.700 68.868 -0.100 0.000 0.874 73 T HN 0.493 nan 8.240 nan 0.000 0.466 74 R N 0.281 120.741 120.500 -0.067 0.000 2.312 74 R HA 0.321 4.659 4.340 -0.004 0.000 0.205 74 R C 0.508 176.782 176.300 -0.043 0.000 0.904 74 R CA -0.335 55.733 56.100 -0.053 0.000 1.052 74 R CB -0.423 29.848 30.300 -0.049 0.000 1.014 74 R HN 0.174 nan 8.270 nan 0.000 0.503 75 L N 2.973 124.171 121.223 -0.042 0.000 2.499 75 L HA 0.037 4.374 4.340 -0.004 0.000 0.273 75 L C -0.069 176.791 176.870 -0.015 0.000 1.195 75 L CA 0.584 55.409 54.840 -0.026 0.000 0.882 75 L CB 0.494 42.542 42.059 -0.018 0.000 1.133 75 L HN 0.171 nan 8.230 nan 0.000 0.483 76 E N 2.684 122.880 120.200 -0.007 0.000 2.312 76 E HA 0.045 4.392 4.350 -0.004 0.000 0.259 76 E C 0.408 177.019 176.600 0.018 0.000 1.122 76 E CA -0.101 56.300 56.400 0.003 0.000 0.922 76 E CB 0.661 30.364 29.700 0.004 0.000 1.109 76 E HN 0.702 nan 8.360 nan 0.000 0.442 77 D N -0.018 120.397 120.400 0.026 0.000 2.348 77 D HA -0.157 4.481 4.640 -0.004 0.000 0.216 77 D C 0.570 176.897 176.300 0.044 0.000 0.970 77 D CA 0.704 54.728 54.000 0.040 0.000 0.889 77 D CB -0.034 40.794 40.800 0.046 0.000 0.912 77 D HN 0.360 nan 8.370 nan 0.000 0.524 78 D N -0.574 119.851 120.400 0.041 0.000 2.501 78 D HA 0.091 4.729 4.640 -0.004 0.000 0.224 78 D C -0.182 176.141 176.300 0.039 0.000 1.202 78 D CA -0.385 53.643 54.000 0.047 0.000 0.829 78 D CB -0.297 40.542 40.800 0.065 0.000 1.023 78 D HN 0.191 nan 8.370 nan 0.000 0.499 79 E N -0.303 119.916 120.200 0.031 0.000 2.221 79 E HA 0.548 4.895 4.350 -0.004 0.000 0.268 79 E C -0.768 175.857 176.600 0.043 0.000 0.933 79 E CA -0.748 55.673 56.400 0.036 0.000 0.809 79 E CB 1.854 31.564 29.700 0.016 0.000 1.190 79 E HN -0.124 nan 8.360 nan 0.000 0.406 80 T N 1.970 116.567 114.554 0.071 0.000 2.841 80 T HA 0.294 4.642 4.350 -0.004 0.000 0.285 80 T C -0.969 173.797 174.700 0.111 0.000 0.991 80 T CA -0.647 61.505 62.100 0.087 0.000 0.966 80 T CB 0.707 69.627 68.868 0.087 0.000 0.962 80 T HN 0.199 nan 8.240 nan 0.000 0.438 81 L N 4.945 126.222 121.223 0.089 0.000 2.305 81 L HA 0.549 4.886 4.340 -0.004 0.000 0.281 81 L C -0.910 176.028 176.870 0.113 0.000 1.085 81 L CA -0.275 54.618 54.840 0.089 0.000 0.813 81 L CB 0.273 42.373 42.059 0.068 0.000 1.157 81 L HN 0.565 nan 8.230 nan 0.000 0.436 82 L N 6.234 127.539 121.223 0.136 0.000 2.275 82 L HA 0.487 4.825 4.340 -0.004 0.000 0.288 82 L C -0.670 176.256 176.870 0.093 0.000 1.046 82 L CA -0.807 54.107 54.840 0.123 0.000 0.805 82 L CB 1.520 43.682 42.059 0.173 0.000 1.193 82 L HN 0.360 nan 8.230 nan 0.000 0.426 83 V N 3.648 123.601 119.914 0.065 0.000 2.384 83 V HA 0.313 4.431 4.120 -0.004 0.000 0.287 83 V C -0.119 175.999 176.094 0.040 0.000 1.020 83 V CA -0.551 61.783 62.300 0.057 0.000 0.850 83 V CB 1.723 33.567 31.823 0.035 0.000 0.987 83 V HN 0.698 nan 8.190 nan 0.000 0.436 84 Q N 3.063 122.891 119.800 0.046 0.000 2.339 84 Q HA 0.305 4.642 4.340 -0.004 0.000 0.268 84 Q C -0.044 175.975 176.000 0.032 0.000 1.027 84 Q CA -0.292 55.532 55.803 0.036 0.000 0.759 84 Q CB 1.706 30.467 28.738 0.039 0.000 1.244 84 Q HN 0.855 nan 8.270 nan 0.000 0.464 85 S N 3.246 118.959 115.700 0.022 0.000 3.280 85 S HA -0.226 4.242 4.470 -0.004 0.000 0.349 85 S C 0.855 175.481 174.600 0.044 0.000 0.936 85 S CA 1.221 59.438 58.200 0.029 0.000 1.301 85 S CB -1.626 61.604 63.200 0.050 0.000 0.907 85 S HN 1.182 nan 8.310 nan 0.000 0.516 86 G N 0.330 109.159 108.800 0.049 0.000 2.160 86 G HA2 -0.327 3.631 3.960 -0.004 0.000 0.251 86 G HA3 -0.327 3.631 3.960 -0.004 0.000 0.251 86 G C -0.228 174.732 174.900 0.099 0.000 1.008 86 G CA 0.830 45.989 45.100 0.098 0.000 0.724 86 G HN 0.849 nan 8.290 nan 0.000 0.514 87 K N 0.681 121.128 120.400 0.078 0.000 2.426 87 K HA 0.568 4.886 4.320 -0.004 0.000 0.254 87 K C -2.733 173.908 176.600 0.069 0.000 0.936 87 K CA -2.457 53.869 56.287 0.065 0.000 0.801 87 K CB 2.588 35.115 32.500 0.045 0.000 1.139 87 K HN -0.045 nan 8.250 nan 0.000 0.424 88 P HA 0.028 nan 4.420 nan 0.000 0.273 88 P C 0.531 177.855 177.300 0.041 0.000 1.428 88 P CA -0.342 62.792 63.100 0.057 0.000 0.995 88 P CB 0.766 32.488 31.700 0.036 0.000 1.286 89 V N 1.533 121.481 119.914 0.056 0.000 3.307 89 V HA 0.527 4.644 4.120 -0.004 0.000 0.253 89 V C 0.765 176.894 176.094 0.058 0.000 1.149 89 V CA 0.764 63.098 62.300 0.056 0.000 1.112 89 V CB -0.348 31.516 31.823 0.069 0.000 0.777 89 V HN 0.506 nan 8.190 nan 0.000 0.464 90 G N -0.754 108.087 108.800 0.068 0.000 2.667 90 G HA2 0.569 4.527 3.960 -0.004 0.000 0.294 90 G HA3 0.569 4.527 3.960 -0.004 0.000 0.294 90 G C -1.900 172.949 174.900 -0.085 0.000 1.467 90 G CA -0.328 44.760 45.100 -0.020 0.000 0.852 90 G HN 0.211 nan 8.290 nan 0.000 0.521 91 V N 0.960 120.644 119.914 -0.384 0.000 2.487 91 V HA 0.754 4.871 4.120 -0.004 0.000 0.298 91 V C -1.034 174.716 176.094 -0.574 0.000 1.028 91 V CA -0.551 61.590 62.300 -0.265 0.000 0.860 91 V CB 1.149 32.876 31.823 -0.160 0.000 0.991 91 V HN 0.610 nan 8.190 nan 0.000 0.427 92 F N 2.268 122.223 119.950 0.009 0.000 2.588 92 F HA 0.625 5.149 4.527 -0.003 0.000 0.314 92 F C 0.041 175.848 175.800 0.011 0.000 1.069 92 F CA -1.217 56.789 58.000 0.010 0.000 0.931 92 F CB 2.012 41.018 39.000 0.011 0.000 1.260 92 F HN 0.237 nan 8.300 nan 0.000 0.465 93 K N 1.053 121.572 120.400 0.198 0.000 2.339 93 K HA 0.447 4.765 4.320 -0.004 0.000 0.286 93 K C 0.399 177.073 176.600 0.124 0.000 1.050 93 K CA -0.103 56.257 56.287 0.121 0.000 0.956 93 K CB 0.785 33.343 32.500 0.097 0.000 0.990 93 K HN 0.782 nan 8.250 nan 0.000 0.475 94 T N -0.484 114.122 114.554 0.087 0.000 1.832 94 T HA 0.429 4.777 4.350 -0.004 0.000 0.171 94 T C -0.535 174.236 174.700 0.118 0.000 0.718 94 T CA -0.424 61.716 62.100 0.067 0.000 0.980 94 T CB 0.053 68.891 68.868 -0.050 0.000 3.173 94 T HN 0.787 nan 8.240 nan 0.000 0.399 95 H N -1.231 117.872 119.070 0.056 0.000 2.967 95 H HA 0.640 5.194 4.556 -0.004 0.000 0.318 95 H C 0.776 176.137 175.328 0.054 0.000 1.375 95 H CA -0.257 55.819 56.048 0.048 0.000 1.132 95 H CB 0.644 30.430 29.762 0.039 0.000 1.848 95 H HN 0.417 nan 8.280 nan 0.000 0.524 96 S N -0.347 115.454 115.700 0.170 0.000 2.447 96 S HA -0.120 4.347 4.470 -0.004 0.000 0.233 96 S C 0.701 175.367 174.600 0.110 0.000 1.006 96 S CA 1.096 59.360 58.200 0.107 0.000 0.957 96 S CB -0.340 62.930 63.200 0.115 0.000 0.773 96 S HN 0.647 nan 8.310 nan 0.000 0.507 97 N N 1.703 120.548 118.700 0.243 0.000 2.280 97 N HA 0.377 5.114 4.740 -0.004 0.000 0.192 97 N C 0.372 175.918 175.510 0.060 0.000 1.109 97 N CA 0.488 53.664 53.050 0.209 0.000 0.855 97 N CB 0.478 39.144 38.487 0.299 0.000 0.974 97 N HN 0.587 nan 8.380 nan 0.000 0.482 98 A N 1.581 124.207 122.820 -0.324 0.000 2.252 98 A HA 0.580 4.897 4.320 -0.004 0.000 0.305 98 A C -2.338 175.196 177.584 -0.084 0.000 1.097 98 A CA -1.252 50.610 52.037 -0.292 0.000 0.849 98 A CB 0.052 18.704 19.000 -0.581 0.000 1.142 98 A HN -0.101 nan 8.150 nan 0.000 0.499 99 P HA 0.163 nan 4.420 nan 0.000 0.271 99 P C 0.330 177.677 177.300 0.077 0.000 1.216 99 P CA -0.253 62.890 63.100 0.072 0.000 0.776 99 P CB 0.465 32.221 31.700 0.094 0.000 0.881 100 R N 1.062 121.643 120.500 0.135 0.000 2.193 100 R HA 0.086 4.424 4.340 -0.004 0.000 0.213 100 R C 0.122 176.494 176.300 0.120 0.000 1.055 100 R CA 0.785 56.954 56.100 0.116 0.000 0.995 100 R CB -0.263 30.116 30.300 0.131 0.000 0.893 100 R HN 0.335 nan 8.270 nan 0.000 0.459 101 V N 1.706 121.719 119.914 0.166 0.000 2.808 101 V HA 0.320 4.438 4.120 -0.004 0.000 0.308 101 V C -0.992 175.188 176.094 0.143 0.000 1.099 101 V CA -0.999 61.382 62.300 0.135 0.000 0.920 101 V CB 2.566 34.449 31.823 0.100 0.000 1.014 101 V HN -0.142 nan 8.190 nan 0.000 0.425 102 L N 5.242 126.521 121.223 0.093 0.000 2.356 102 L HA 0.660 4.997 4.340 -0.004 0.000 0.277 102 L C -0.473 176.423 176.870 0.045 0.000 0.996 102 L CA -0.439 54.445 54.840 0.073 0.000 0.822 102 L CB 1.452 43.546 42.059 0.059 0.000 1.256 102 L HN 0.540 nan 8.230 nan 0.000 0.413 103 I N 2.676 123.269 120.570 0.038 0.000 2.436 103 I HA 0.718 4.886 4.170 -0.004 0.000 0.289 103 I C -0.226 175.939 176.117 0.080 0.000 1.010 103 I CA -0.635 60.675 61.300 0.017 0.000 1.098 103 I CB 2.161 40.127 38.000 -0.057 0.000 1.266 103 I HN 0.676 nan 8.210 nan 0.000 0.434 104 A N 5.785 128.643 122.820 0.064 0.000 2.357 104 A HA 0.726 5.044 4.320 -0.004 0.000 0.295 104 A C -1.140 176.462 177.584 0.031 0.000 1.121 104 A CA -0.654 51.431 52.037 0.080 0.000 0.742 104 A CB 0.755 19.784 19.000 0.049 0.000 1.181 104 A HN 0.655 nan 8.150 nan 0.000 0.454 105 N N 0.791 119.477 118.700 -0.023 0.000 2.296 105 N HA 0.519 5.257 4.740 -0.004 0.000 0.294 105 N C 0.100 175.579 175.510 -0.052 0.000 1.033 105 N CA 0.223 53.176 53.050 -0.161 0.000 0.839 105 N CB 1.728 39.874 38.487 -0.567 0.000 1.395 105 N HN 0.678 nan 8.380 nan 0.000 0.479 106 S N -0.225 115.531 115.700 0.093 0.000 3.084 106 S HA -0.179 4.289 4.470 -0.004 0.000 0.277 106 S C -0.023 174.763 174.600 0.309 0.000 1.295 106 S CA 0.260 58.614 58.200 0.257 0.000 1.170 106 S CB -1.545 61.816 63.200 0.269 0.000 1.412 106 S HN 0.686 nan 8.310 nan 0.000 0.669 107 N N 1.495 120.299 118.700 0.173 0.000 2.475 107 N HA 0.444 5.182 4.740 -0.004 0.000 0.267 107 N C -0.330 175.200 175.510 0.033 0.000 1.169 107 N CA 0.462 53.558 53.050 0.077 0.000 0.947 107 N CB 0.564 39.063 38.487 0.020 0.000 1.061 107 N HN 0.427 nan 8.380 nan 0.000 0.466 108 L N 1.667 122.832 121.223 -0.096 0.000 2.381 108 L HA 0.381 4.719 4.340 -0.004 0.000 0.268 108 L C 0.029 176.854 176.870 -0.074 0.000 0.997 108 L CA -1.203 53.629 54.840 -0.014 0.000 0.818 108 L CB 2.206 44.337 42.059 0.119 0.000 1.310 108 L HN 0.104 nan 8.230 nan 0.000 0.416 109 V N 3.883 123.809 119.914 0.020 0.000 2.617 109 V HA -0.046 4.072 4.120 -0.004 0.000 0.304 109 V C -1.310 174.885 176.094 0.168 0.000 1.040 109 V CA -0.475 61.875 62.300 0.083 0.000 1.149 109 V CB 0.693 32.580 31.823 0.108 0.000 0.914 109 V HN 0.710 nan 8.190 nan 0.000 0.487 110 P HA -0.206 nan 4.420 nan 0.000 0.216 110 P C 1.617 178.920 177.300 0.006 0.000 1.153 110 P CA 1.506 64.608 63.100 0.002 0.000 0.858 110 P CB 0.052 31.739 31.700 -0.022 0.000 0.789 111 H N -2.245 116.780 119.070 -0.076 0.000 2.518 111 H HA -0.101 4.453 4.556 -0.003 0.000 0.289 111 H C 0.959 175.962 175.328 -0.542 0.000 1.051 111 H CA 1.317 57.128 56.048 -0.395 0.000 1.280 111 H CB -0.365 28.985 29.762 -0.688 0.000 1.380 111 H HN 0.261 nan 8.280 nan 0.000 0.566 112 W N -0.262 120.944 121.300 -0.156 0.000 2.991 112 W HA 0.480 5.138 4.660 -0.005 0.000 0.391 112 W C 0.209 176.670 176.519 -0.097 0.000 1.054 112 W CA 0.093 57.296 57.345 -0.236 0.000 1.856 112 W CB 0.141 29.371 29.460 -0.383 0.000 1.132 112 W HN 0.161 nan 8.180 nan 0.000 0.601 113 A N 2.746 125.604 122.820 0.064 0.000 3.004 113 A HA 0.340 4.657 4.320 -0.004 0.000 0.286 113 A C -0.147 177.458 177.584 0.034 0.000 1.632 113 A CA 0.133 52.224 52.037 0.090 0.000 1.339 113 A CB -1.244 17.743 19.000 -0.021 0.000 1.136 113 A HN 0.375 nan 8.150 nan 0.000 0.577 114 N N -1.744 116.994 118.700 0.063 0.000 2.825 114 N HA 0.376 5.114 4.740 -0.004 0.000 0.253 114 N C 0.002 175.562 175.510 0.082 0.000 1.426 114 N CA -0.967 52.089 53.050 0.010 0.000 0.851 114 N CB 0.378 38.890 38.487 0.042 0.000 1.470 114 N HN 0.243 nan 8.380 nan 0.000 0.517 115 W N -0.249 121.122 121.300 0.118 0.000 2.402 115 W HA 0.022 4.680 4.660 -0.003 0.000 0.286 115 W C 1.394 178.014 176.519 0.170 0.000 1.221 115 W CA 0.510 57.916 57.345 0.101 0.000 1.257 115 W CB 0.135 29.594 29.460 -0.002 0.000 1.120 115 W HN 0.648 nan 8.180 nan 0.000 0.551 116 E N -0.878 119.535 120.200 0.355 0.000 2.051 116 E HA -0.267 4.081 4.350 -0.004 0.000 0.192 116 E C 1.652 178.414 176.600 0.270 0.000 0.991 116 E CA 1.741 58.297 56.400 0.260 0.000 0.799 116 E CB -0.666 29.146 29.700 0.187 0.000 0.748 116 E HN 0.312 nan 8.360 nan 0.000 0.449 117 H N -1.074 118.119 119.070 0.205 0.000 2.395 117 H HA -0.040 4.514 4.556 -0.004 0.000 0.299 117 H C 1.680 177.127 175.328 0.198 0.000 1.070 117 H CA 1.320 57.487 56.048 0.198 0.000 1.356 117 H CB -0.268 29.638 29.762 0.240 0.000 1.401 117 H HN 0.203 nan 8.280 nan 0.000 0.524 118 F N 1.023 121.061 119.950 0.147 0.000 2.126 118 F HA -0.230 4.295 4.527 -0.004 0.000 0.299 118 F C 1.823 177.675 175.800 0.087 0.000 1.096 118 F CA 2.123 60.188 58.000 0.107 0.000 1.255 118 F CB -0.431 38.664 39.000 0.158 0.000 0.997 118 F HN 0.217 nan 8.300 nan 0.000 0.479 119 N N -0.187 118.699 118.700 0.309 0.000 2.244 119 N HA -0.190 4.548 4.740 -0.004 0.000 0.183 119 N C 1.850 177.345 175.510 -0.025 0.000 1.016 119 N CA 0.970 54.118 53.050 0.163 0.000 0.866 119 N CB -0.328 38.285 38.487 0.209 0.000 0.980 119 N HN 0.485 nan 8.380 nan 0.000 0.430 120 E N 1.396 121.560 120.200 -0.059 0.000 2.085 120 E HA -0.195 4.152 4.350 -0.004 0.000 0.194 120 E C 1.777 178.256 176.600 -0.202 0.000 0.994 120 E CA 0.936 57.261 56.400 -0.125 0.000 0.801 120 E CB -0.021 29.592 29.700 -0.147 0.000 0.743 120 E HN 0.353 nan 8.360 nan 0.000 0.453 121 L N 0.796 121.826 121.223 -0.322 0.000 2.056 121 L HA -0.160 4.178 4.340 -0.004 0.000 0.207 121 L C 2.527 179.230 176.870 -0.277 0.000 1.078 121 L CA 1.174 55.828 54.840 -0.310 0.000 0.749 121 L CB -0.402 41.443 42.059 -0.358 0.000 0.901 121 L HN 0.208 nan 8.230 nan 0.000 0.433 122 D N 0.304 120.489 120.400 -0.359 0.000 2.117 122 D HA -0.175 4.463 4.640 -0.004 0.000 0.197 122 D C 2.162 178.391 176.300 -0.120 0.000 0.987 122 D CA 1.412 55.248 54.000 -0.273 0.000 0.829 122 D CB 0.185 40.834 40.800 -0.252 0.000 0.961 122 D HN 0.250 nan 8.370 nan 0.000 0.460 123 A N 0.352 123.117 122.820 -0.093 0.000 1.972 123 A HA -0.158 4.160 4.320 -0.004 0.000 0.219 123 A C 2.021 179.578 177.584 -0.045 0.000 1.169 123 A CA 1.298 53.307 52.037 -0.047 0.000 0.635 123 A CB -0.321 18.659 19.000 -0.034 0.000 0.810 123 A HN 0.224 nan 8.150 nan 0.000 0.446 124 K N -1.481 118.878 120.400 -0.069 0.000 2.404 124 K HA 0.255 4.573 4.320 -0.004 0.000 0.194 124 K C 0.893 177.464 176.600 -0.048 0.000 1.023 124 K CA 0.426 56.681 56.287 -0.054 0.000 1.094 124 K CB 0.044 32.505 32.500 -0.066 0.000 0.841 124 K HN 0.627 nan 8.250 nan 0.000 0.523 125 G N 1.228 109.995 108.800 -0.055 0.000 2.137 125 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.237 125 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.237 125 G C 0.280 175.151 174.900 -0.049 0.000 1.002 125 G CA -0.288 44.789 45.100 -0.038 0.000 0.702 125 G HN 0.160 nan 8.290 nan 0.000 0.515 126 L N -0.131 121.038 121.223 -0.089 0.000 2.808 126 L HA 0.759 5.097 4.340 -0.004 0.000 0.246 126 L C 1.277 178.077 176.870 -0.118 0.000 1.153 126 L CA 0.589 55.376 54.840 -0.089 0.000 0.956 126 L CB -0.089 41.910 42.059 -0.101 0.000 1.270 126 L HN 0.822 nan 8.230 nan 0.000 0.528 127 A N -0.046 122.676 122.820 -0.164 0.000 2.515 127 A HA 0.858 5.176 4.320 -0.004 0.000 0.296 127 A C -0.962 176.591 177.584 -0.052 0.000 1.094 127 A CA -0.406 51.496 52.037 -0.224 0.000 0.718 127 A CB 2.498 21.057 19.000 -0.735 0.000 1.307 127 A HN 0.020 nan 8.150 nan 0.000 0.408 128 M N 1.490 121.186 119.600 0.159 0.000 2.325 128 M HA 0.341 4.819 4.480 -0.004 0.000 0.285 128 M C -2.363 174.240 176.300 0.504 0.000 1.119 128 M CA -0.515 54.977 55.300 0.320 0.000 0.959 128 M CB 1.692 34.384 32.600 0.154 0.000 1.737 128 M HN 0.864 nan 8.290 nan 0.000 0.486 129 Y N 3.370 123.905 120.300 0.392 0.000 2.436 129 Y HA 0.519 5.066 4.550 -0.004 0.000 0.343 129 Y C 0.812 176.727 175.900 0.024 0.000 1.008 129 Y CA 0.460 58.644 58.100 0.140 0.000 1.241 129 Y CB 1.523 40.020 38.460 0.062 0.000 1.153 129 Y HN 0.810 nan 8.280 nan 0.000 0.521 130 G N 4.092 112.731 108.800 -0.268 0.000 2.813 130 G HA2 -0.011 3.946 3.960 -0.004 0.000 0.209 130 G HA3 -0.011 3.946 3.960 -0.004 0.000 0.209 130 G C 0.585 175.215 174.900 -0.450 0.000 1.150 130 G CA 0.248 45.105 45.100 -0.405 0.000 0.785 130 G HN 0.686 nan 8.290 nan 0.000 0.535 131 Q N -1.252 117.918 119.800 -1.050 0.000 1.640 131 Q HA -0.303 4.035 4.340 -0.004 0.000 0.401 131 Q C 1.780 177.692 176.000 -0.146 0.000 0.902 131 Q CA 1.942 57.246 55.803 -0.830 0.000 0.738 131 Q CB -1.178 26.961 28.738 -0.999 0.000 4.166 131 Q HN 0.417 nan 8.270 nan 0.000 0.686 132 M N -1.205 118.318 119.600 -0.128 0.000 2.749 132 M HA -0.007 4.471 4.480 -0.004 0.000 0.240 132 M C 1.915 177.923 176.300 -0.487 0.000 1.285 132 M CA 1.655 56.686 55.300 -0.448 0.000 1.267 132 M CB -0.052 32.296 32.600 -0.420 0.000 1.184 132 M HN 0.724 nan 8.290 nan 0.000 0.526 133 T N -1.657 112.906 114.554 0.015 0.000 3.086 133 T HA 0.395 4.743 4.350 -0.004 0.000 0.250 133 T C 1.505 176.405 174.700 0.333 0.000 1.074 133 T CA 0.394 62.601 62.100 0.179 0.000 0.988 133 T CB -0.015 69.014 68.868 0.268 0.000 0.988 133 T HN 0.239 nan 8.240 nan 0.000 0.530 134 A N 2.057 125.048 122.820 0.285 0.000 1.855 134 A HA 0.372 4.689 4.320 -0.004 0.000 0.215 134 A C 2.507 180.226 177.584 0.226 0.000 1.191 134 A CA 1.239 53.377 52.037 0.169 0.000 0.613 134 A CB -1.358 17.565 19.000 -0.129 0.000 0.829 134 A HN 0.570 nan 8.150 nan 0.000 0.442 135 G N -0.820 108.075 108.800 0.157 0.000 2.920 135 G HA2 0.154 4.111 3.960 -0.004 0.000 0.208 135 G HA3 0.154 4.111 3.960 -0.004 0.000 0.208 135 G C 1.214 176.041 174.900 -0.123 0.000 1.159 135 G CA 1.246 46.403 45.100 0.095 0.000 0.784 135 G HN 0.874 nan 8.290 nan 0.000 0.535 136 S N -1.764 113.952 115.700 0.028 0.000 2.629 136 S HA 0.171 4.639 4.470 -0.004 0.000 0.236 136 S C 0.324 175.089 174.600 0.276 0.000 1.010 136 S CA -0.385 57.776 58.200 -0.065 0.000 0.981 136 S CB -0.277 63.011 63.200 0.146 0.000 0.919 136 S HN 0.466 nan 8.310 nan 0.000 0.514 137 W N 0.248 121.775 121.300 0.379 0.000 5.324 137 W HA -0.152 4.506 4.660 -0.004 0.000 0.404 137 W C -0.138 176.669 176.519 0.481 0.000 1.566 137 W CA -0.290 57.279 57.345 0.372 0.000 0.927 137 W CB -2.557 27.041 29.460 0.229 0.000 2.757 137 W HN 0.488 nan 8.180 nan 0.000 1.382 138 I N -0.387 120.508 120.570 0.542 0.000 3.554 138 I HA 0.219 4.387 4.170 -0.004 0.000 0.321 138 I C -0.258 176.033 176.117 0.290 0.000 1.484 138 I CA -1.264 60.259 61.300 0.373 0.000 0.975 138 I CB -0.229 37.922 38.000 0.252 0.000 1.528 138 I HN -0.019 nan 8.210 nan 0.000 0.609 139 Y N 2.815 123.230 120.300 0.191 0.000 2.304 139 Y HA 0.511 5.059 4.550 -0.004 0.000 0.328 139 Y C 0.893 176.838 175.900 0.074 0.000 1.123 139 Y CA -0.314 57.842 58.100 0.093 0.000 1.218 139 Y CB 0.926 39.465 38.460 0.133 0.000 1.207 139 Y HN 0.265 nan 8.280 nan 0.000 0.495 140 I N 3.746 124.066 120.570 -0.417 0.000 3.176 140 I HA 0.674 4.842 4.170 -0.004 0.000 0.339 140 I C 0.572 176.419 176.117 -0.450 0.000 1.505 140 I CA -0.073 61.059 61.300 -0.280 0.000 0.969 140 I CB -0.064 37.844 38.000 -0.152 0.000 1.636 140 I HN 0.845 nan 8.210 nan 0.000 0.523 141 G N 1.768 110.055 108.800 -0.855 0.000 2.598 141 G HA2 -0.292 3.666 3.960 -0.004 0.000 0.244 141 G HA3 -0.292 3.666 3.960 -0.004 0.000 0.244 141 G C 0.441 174.936 174.900 -0.676 0.000 1.302 141 G CA 0.113 44.850 45.100 -0.605 0.000 0.903 141 G HN 0.348 nan 8.290 nan 0.000 0.575 142 S N -0.080 115.323 115.700 -0.496 0.000 2.474 142 S HA -0.082 4.386 4.470 -0.004 0.000 0.235 142 S C 2.084 176.509 174.600 -0.292 0.000 0.997 142 S CA 1.731 59.600 58.200 -0.551 0.000 0.949 142 S CB -0.066 62.443 63.200 -1.152 0.000 0.766 142 S HN 0.651 nan 8.310 nan 0.000 0.517 143 Q N 1.100 120.827 119.800 -0.123 0.000 2.170 143 Q HA -0.105 4.232 4.340 -0.004 0.000 0.203 143 Q C 2.239 178.244 176.000 0.009 0.000 0.976 143 Q CA 1.372 57.217 55.803 0.070 0.000 0.858 143 Q CB -0.510 28.286 28.738 0.097 0.000 0.907 143 Q HN 0.602 nan 8.270 nan 0.000 0.433 144 G N 1.141 109.855 108.800 -0.144 0.000 2.469 144 G HA2 -0.273 3.685 3.960 -0.004 0.000 0.220 144 G HA3 -0.273 3.685 3.960 -0.004 0.000 0.220 144 G C 1.315 176.232 174.900 0.028 0.000 1.136 144 G CA 0.898 45.941 45.100 -0.095 0.000 0.759 144 G HN 0.488 nan 8.290 nan 0.000 0.562 145 I N -0.366 120.214 120.570 0.016 0.000 3.854 145 I HA 0.173 4.341 4.170 -0.004 0.000 0.312 145 I C 2.345 178.534 176.117 0.120 0.000 1.273 145 I CA 0.044 61.404 61.300 0.099 0.000 1.298 145 I CB 0.341 38.375 38.000 0.057 0.000 1.071 145 I HN 0.053 nan 8.210 nan 0.000 0.428 146 V N 0.924 120.917 119.914 0.131 0.000 2.407 146 V HA -0.325 3.793 4.120 -0.004 0.000 0.248 146 V C 2.219 178.372 176.094 0.098 0.000 1.055 146 V CA 2.532 64.945 62.300 0.187 0.000 1.049 146 V CB -0.266 31.763 31.823 0.344 0.000 0.662 146 V HN 0.589 nan 8.190 nan 0.000 0.455 147 Q N -0.566 119.184 119.800 -0.084 0.000 2.119 147 Q HA -0.088 4.249 4.340 -0.004 0.000 0.201 147 Q C 2.146 177.735 176.000 -0.684 0.000 0.972 147 Q CA 1.732 57.111 55.803 -0.707 0.000 0.847 147 Q CB -0.512 27.487 28.738 -1.231 0.000 0.903 147 Q HN 0.707 nan 8.270 nan 0.000 0.433 148 G N -0.366 108.177 108.800 -0.427 0.000 2.440 148 G HA2 -0.255 3.702 3.960 -0.004 0.000 0.218 148 G HA3 -0.255 3.702 3.960 -0.004 0.000 0.218 148 G C 1.340 176.098 174.900 -0.237 0.000 1.154 148 G CA 1.339 46.217 45.100 -0.371 0.000 0.767 148 G HN 0.369 nan 8.290 nan 0.000 0.552 149 T N -0.185 114.284 114.554 -0.142 0.000 2.777 149 T HA -0.141 4.207 4.350 -0.004 0.000 0.266 149 T C 1.957 176.367 174.700 -0.483 0.000 1.040 149 T CA 1.257 63.115 62.100 -0.402 0.000 1.141 149 T CB -0.335 68.352 68.868 -0.302 0.000 0.868 149 T HN 0.395 nan 8.240 nan 0.000 0.444 150 Y N 2.499 122.624 120.300 -0.291 0.000 2.097 150 Y HA -0.167 4.381 4.550 -0.004 0.000 0.282 150 Y C 2.380 178.163 175.900 -0.196 0.000 1.152 150 Y CA 1.458 59.487 58.100 -0.118 0.000 1.136 150 Y CB -0.291 38.165 38.460 -0.006 0.000 0.975 150 Y HN 0.053 nan 8.280 nan 0.000 0.498 151 E N -0.290 119.630 120.200 -0.467 0.000 2.160 151 E HA -0.166 4.182 4.350 -0.004 0.000 0.195 151 E C 2.171 178.507 176.600 -0.440 0.000 0.991 151 E CA 1.716 57.794 56.400 -0.537 0.000 0.810 151 E CB -0.615 28.713 29.700 -0.620 0.000 0.742 151 E HN 0.543 nan 8.360 nan 0.000 0.466 152 T N 1.102 115.402 114.554 -0.424 0.000 2.674 152 T HA -0.106 4.241 4.350 -0.004 0.000 0.265 152 T C 1.620 176.001 174.700 -0.532 0.000 1.039 152 T CA 1.025 62.860 62.100 -0.443 0.000 1.150 152 T CB -0.306 68.284 68.868 -0.463 0.000 0.864 152 T HN 0.050 nan 8.240 nan 0.000 0.427 153 F N 1.058 120.770 119.950 -0.397 0.000 2.171 153 F HA -0.026 4.499 4.527 -0.004 0.000 0.300 153 F C 2.489 178.084 175.800 -0.341 0.000 1.090 153 F CA -0.230 57.578 58.000 -0.321 0.000 1.293 153 F CB -1.379 37.514 39.000 -0.178 0.000 1.013 153 F HN -0.030 nan 8.300 nan 0.000 0.486 154 V N -0.062 119.707 119.914 -0.241 0.000 2.295 154 V HA -0.277 3.840 4.120 -0.004 0.000 0.246 154 V C 2.452 178.400 176.094 -0.243 0.000 1.049 154 V CA 2.219 64.350 62.300 -0.281 0.000 1.024 154 V CB -0.501 31.037 31.823 -0.475 0.000 0.648 154 V HN 0.223 nan 8.190 nan 0.000 0.447 155 E N 0.614 120.625 120.200 -0.316 0.000 2.072 155 E HA -0.122 4.226 4.350 -0.004 0.000 0.191 155 E C 2.095 178.483 176.600 -0.353 0.000 0.985 155 E CA 1.534 57.766 56.400 -0.280 0.000 0.801 155 E CB -0.480 29.089 29.700 -0.217 0.000 0.750 155 E HN 0.489 nan 8.360 nan 0.000 0.452 156 A N 0.287 122.710 122.820 -0.661 0.000 1.908 156 A HA -0.066 4.252 4.320 -0.004 0.000 0.218 156 A C 2.460 179.995 177.584 -0.083 0.000 1.181 156 A CA 1.825 53.533 52.037 -0.550 0.000 0.627 156 A CB -1.366 17.235 19.000 -0.666 0.000 0.818 156 A HN 0.418 nan 8.150 nan 0.000 0.445 157 G N -0.633 108.141 108.800 -0.044 0.000 2.418 157 G HA2 -0.212 3.746 3.960 -0.004 0.000 0.217 157 G HA3 -0.212 3.746 3.960 -0.004 0.000 0.217 157 G C 1.756 176.674 174.900 0.031 0.000 1.158 157 G CA 0.846 46.006 45.100 0.100 0.000 0.771 157 G HN 0.578 nan 8.290 nan 0.000 0.545 158 R N -0.102 120.360 120.500 -0.063 0.000 2.096 158 R HA -0.037 4.301 4.340 -0.004 0.000 0.235 158 R C 2.765 178.995 176.300 -0.117 0.000 1.127 158 R CA 1.421 57.475 56.100 -0.076 0.000 0.968 158 R CB -0.258 29.984 30.300 -0.097 0.000 0.861 158 R HN 0.432 nan 8.270 nan 0.000 0.440 159 Q N -1.068 118.612 119.800 -0.201 0.000 2.187 159 Q HA -0.106 4.232 4.340 -0.004 0.000 0.199 159 Q C 1.110 176.839 176.000 -0.453 0.000 0.957 159 Q CA 1.291 56.886 55.803 -0.347 0.000 0.857 159 Q CB 0.231 28.687 28.738 -0.469 0.000 0.929 159 Q HN 0.610 nan 8.270 nan 0.000 0.453 160 H N -3.036 115.905 119.070 -0.216 0.000 2.855 160 H HA 0.121 4.675 4.556 -0.004 0.000 0.259 160 H C 0.072 175.013 175.328 -0.644 0.000 0.972 160 H CA 0.316 56.073 56.048 -0.485 0.000 1.213 160 H CB 0.775 30.089 29.762 -0.747 0.000 1.451 160 H HN 0.123 nan 8.280 nan 0.000 0.484 161 Y N -0.900 119.448 120.300 0.079 0.000 2.717 161 Y HA 0.304 4.852 4.550 -0.004 0.000 0.250 161 Y C 1.283 177.190 175.900 0.011 0.000 1.149 161 Y CA -0.046 58.077 58.100 0.039 0.000 1.211 161 Y CB 1.616 40.090 38.460 0.024 0.000 1.289 161 Y HN 0.258 nan 8.280 nan 0.000 0.552 162 G N 0.380 109.233 108.800 0.089 0.000 2.155 162 G HA2 -0.071 3.887 3.960 -0.004 0.000 0.257 162 G HA3 -0.071 3.887 3.960 -0.004 0.000 0.257 162 G C 0.899 175.825 174.900 0.043 0.000 0.983 162 G CA 0.453 45.584 45.100 0.051 0.000 0.676 162 G HN 1.154 nan 8.290 nan 0.000 0.528 163 G N -1.063 107.768 108.800 0.052 0.000 2.539 163 G HA2 0.193 4.151 3.960 -0.004 0.000 0.230 163 G HA3 0.193 4.151 3.960 -0.004 0.000 0.230 163 G C 0.711 175.632 174.900 0.034 0.000 1.758 163 G CA 1.017 46.132 45.100 0.024 0.000 1.433 163 G HN 2.035 nan 8.290 nan 0.000 0.494 164 S N 0.746 116.465 115.700 0.032 0.000 2.558 164 S HA 0.345 4.813 4.470 -0.004 0.000 0.291 164 S C 1.286 175.893 174.600 0.011 0.000 1.306 164 S CA 0.404 58.618 58.200 0.025 0.000 1.056 164 S CB 0.234 63.448 63.200 0.024 0.000 0.836 164 S HN 0.755 nan 8.310 nan 0.000 0.504 165 L N 3.425 124.640 121.223 -0.014 0.000 2.728 165 L HA 0.246 4.584 4.340 -0.004 0.000 0.235 165 L C 0.315 177.139 176.870 -0.077 0.000 1.197 165 L CA -0.181 54.618 54.840 -0.069 0.000 0.992 165 L CB -0.160 41.846 42.059 -0.088 0.000 1.263 165 L HN 0.102 nan 8.230 nan 0.000 0.484 166 K N 1.130 121.504 120.400 -0.043 0.000 2.447 166 K HA -0.056 4.262 4.320 -0.004 0.000 0.281 166 K C 1.243 177.817 176.600 -0.044 0.000 1.031 166 K CA 0.071 56.338 56.287 -0.034 0.000 1.019 166 K CB 0.488 32.979 32.500 -0.016 0.000 0.918 166 K HN -0.142 nan 8.250 nan 0.000 0.476 167 G N 2.938 111.720 108.800 -0.030 0.000 2.162 167 G HA2 -0.228 3.729 3.960 -0.004 0.000 0.260 167 G HA3 -0.228 3.729 3.960 -0.004 0.000 0.260 167 G C -0.310 174.578 174.900 -0.019 0.000 0.976 167 G CA 0.290 45.379 45.100 -0.018 0.000 0.655 167 G HN 0.518 nan 8.290 nan 0.000 0.533 168 K N -0.334 120.033 120.400 -0.055 0.000 2.238 168 K HA 0.502 4.820 4.320 -0.004 0.000 0.239 168 K C -0.482 176.156 176.600 0.063 0.000 0.987 168 K CA -0.828 55.407 56.287 -0.086 0.000 0.857 168 K CB 1.201 33.506 32.500 -0.325 0.000 1.154 168 K HN 0.246 nan 8.250 nan 0.000 0.439 169 W N -0.382 120.789 121.300 -0.215 0.000 3.032 169 W HA 0.464 5.122 4.660 -0.004 0.000 0.335 169 W C -1.057 175.320 176.519 -0.237 0.000 1.154 169 W CA -0.915 56.309 57.345 -0.202 0.000 1.204 169 W CB 0.214 29.587 29.460 -0.145 0.000 1.416 169 W HN -0.378 nan 8.180 nan 0.000 0.521 170 V N 4.126 123.950 119.914 -0.150 0.000 2.481 170 V HA 0.303 4.421 4.120 -0.004 0.000 0.286 170 V C -0.294 175.696 176.094 -0.173 0.000 1.042 170 V CA -0.721 61.385 62.300 -0.323 0.000 0.928 170 V CB 1.293 32.829 31.823 -0.478 0.000 0.986 170 V HN 0.430 nan 8.190 nan 0.000 0.462 171 L N 5.024 126.041 121.223 -0.344 0.000 2.287 171 L HA 0.827 5.165 4.340 -0.004 0.000 0.287 171 L C -0.135 176.641 176.870 -0.157 0.000 1.022 171 L CA 0.966 55.686 54.840 -0.201 0.000 0.814 171 L CB 1.508 43.320 42.059 -0.411 0.000 1.217 171 L HN 0.860 nan 8.230 nan 0.000 0.420 172 T N 3.192 117.726 114.554 -0.034 0.000 2.671 172 T HA 0.926 5.274 4.350 -0.004 0.000 0.300 172 T C -1.732 173.003 174.700 0.058 0.000 1.238 172 T CA 0.062 62.165 62.100 0.005 0.000 1.020 172 T CB 1.348 70.230 68.868 0.022 0.000 1.503 172 T HN 0.969 nan 8.240 nan 0.000 0.497 173 A N -0.410 122.466 122.820 0.093 0.000 2.566 173 A HA 0.887 5.205 4.320 -0.004 0.000 0.292 173 A C 0.121 177.771 177.584 0.109 0.000 1.112 173 A CA -0.086 52.006 52.037 0.092 0.000 0.707 173 A CB 1.099 20.154 19.000 0.091 0.000 1.302 173 A HN 2.239 nan 8.150 nan 0.000 0.409 174 G N -0.500 108.348 108.800 0.079 0.000 3.383 174 G HA2 0.123 4.080 3.960 -0.004 0.000 0.685 174 G HA3 0.123 4.080 3.960 -0.004 0.000 0.685 174 G C -0.696 174.244 174.900 0.066 0.000 1.104 174 G CA -0.170 44.978 45.100 0.081 0.000 0.957 174 G HN 1.273 nan 8.290 nan 0.000 0.461 175 L N 2.859 124.101 121.223 0.032 0.000 2.999 175 L HA 0.453 4.791 4.340 -0.004 0.000 0.263 175 L C 1.531 178.396 176.870 -0.009 0.000 1.320 175 L CA -0.017 54.833 54.840 0.017 0.000 0.913 175 L CB 0.272 42.342 42.059 0.019 0.000 1.296 175 L HN 0.734 nan 8.230 nan 0.000 0.546 176 G N -0.519 108.287 108.800 0.011 0.000 2.504 176 G HA2 0.316 4.274 3.960 -0.004 0.000 0.257 176 G HA3 0.316 4.274 3.960 -0.004 0.000 0.257 176 G C 1.048 175.934 174.900 -0.023 0.000 1.451 176 G CA 0.319 45.428 45.100 0.015 0.000 1.059 176 G HN 0.311 nan 8.290 nan 0.000 0.550 177 G N -0.777 108.040 108.800 0.029 0.000 2.421 177 G HA2 -0.162 3.796 3.960 -0.004 0.000 0.216 177 G HA3 -0.162 3.796 3.960 -0.004 0.000 0.216 177 G C 1.673 176.553 174.900 -0.034 0.000 1.171 177 G CA 1.178 46.280 45.100 0.003 0.000 0.775 177 G HN 0.330 nan 8.290 nan 0.000 0.543 178 M N 0.585 120.213 119.600 0.047 0.000 2.325 178 M HA 0.135 4.612 4.480 -0.004 0.000 0.265 178 M C 2.880 179.203 176.300 0.038 0.000 1.094 178 M CA 1.156 56.464 55.300 0.013 0.000 1.161 178 M CB -1.137 31.492 32.600 0.047 0.000 1.358 178 M HN 0.275 nan 8.290 nan 0.000 0.446 179 G N 0.423 109.268 108.800 0.075 0.000 2.448 179 G HA2 -0.124 3.833 3.960 -0.004 0.000 0.219 179 G HA3 -0.124 3.833 3.960 -0.004 0.000 0.219 179 G C 1.516 176.446 174.900 0.049 0.000 1.127 179 G CA 0.963 46.119 45.100 0.094 0.000 0.766 179 G HN 0.556 nan 8.290 nan 0.000 0.552 180 G N 0.827 109.613 108.800 -0.024 0.000 2.501 180 G HA2 0.070 4.027 3.960 -0.004 0.000 0.220 180 G HA3 0.070 4.027 3.960 -0.004 0.000 0.220 180 G C 1.811 176.690 174.900 -0.036 0.000 1.114 180 G CA 1.265 46.326 45.100 -0.065 0.000 0.757 180 G HN 0.617 nan 8.290 nan 0.000 0.559 181 A N 0.091 122.886 122.820 -0.042 0.000 2.066 181 A HA 0.064 4.382 4.320 -0.004 0.000 0.218 181 A C 2.240 179.943 177.584 0.198 0.000 1.157 181 A CA 1.431 53.535 52.037 0.112 0.000 0.670 181 A CB -0.219 18.822 19.000 0.068 0.000 0.804 181 A HN 0.455 nan 8.150 nan 0.000 0.453 182 Q N 0.001 119.895 119.800 0.156 0.000 2.045 182 Q HA -0.165 4.172 4.340 -0.004 0.000 0.206 182 Q C -0.489 175.668 176.000 0.263 0.000 0.991 182 Q CA 2.015 57.951 55.803 0.222 0.000 0.851 182 Q CB -1.153 27.702 28.738 0.195 0.000 0.911 182 Q HN 0.523 nan 8.270 nan 0.000 0.418 183 P HA -0.220 nan 4.420 nan 0.000 0.214 183 P C 1.465 178.839 177.300 0.122 0.000 1.163 183 P CA 1.267 64.440 63.100 0.123 0.000 0.889 183 P CB -0.151 31.607 31.700 0.097 0.000 0.790 184 L N -0.874 120.444 121.223 0.158 0.000 2.056 184 L HA -0.122 4.216 4.340 -0.004 0.000 0.207 184 L C 2.418 179.375 176.870 0.146 0.000 1.078 184 L CA 1.854 56.748 54.840 0.090 0.000 0.749 184 L CB -0.922 41.154 42.059 0.028 0.000 0.901 184 L HN -0.070 nan 8.230 nan 0.000 0.433 185 A N -0.047 122.929 122.820 0.260 0.000 1.908 185 A HA -0.213 4.105 4.320 -0.004 0.000 0.218 185 A C 2.452 180.305 177.584 0.449 0.000 1.181 185 A CA 1.801 54.061 52.037 0.371 0.000 0.627 185 A CB -0.788 18.415 19.000 0.338 0.000 0.818 185 A HN 0.558 nan 8.150 nan 0.000 0.445 186 A N -0.063 122.965 122.820 0.347 0.000 1.902 186 A HA -0.160 4.158 4.320 -0.004 0.000 0.217 186 A C 1.972 179.568 177.584 0.019 0.000 1.181 186 A CA 0.734 52.764 52.037 -0.012 0.000 0.623 186 A CB -0.474 18.346 19.000 -0.300 0.000 0.818 186 A HN 0.149 nan 8.150 nan 0.000 0.443 187 T N 0.575 115.150 114.554 0.034 0.000 2.684 187 T HA -0.099 4.249 4.350 -0.004 0.000 0.267 187 T C 1.646 176.368 174.700 0.037 0.000 1.036 187 T CA 0.487 62.586 62.100 -0.002 0.000 1.148 187 T CB -0.069 68.778 68.868 -0.036 0.000 0.863 187 T HN 0.095 nan 8.240 nan 0.000 0.436 188 L N 0.525 121.806 121.223 0.096 0.000 2.141 188 L HA 0.001 4.339 4.340 -0.004 0.000 0.209 188 L C 2.773 179.831 176.870 0.314 0.000 1.094 188 L CA 0.955 55.864 54.840 0.116 0.000 0.763 188 L CB -0.521 41.547 42.059 0.016 0.000 0.908 188 L HN 0.226 nan 8.230 nan 0.000 0.437 189 A N -0.634 122.401 122.820 0.359 0.000 2.208 189 A HA 0.278 4.596 4.320 -0.004 0.000 0.209 189 A C 1.762 179.403 177.584 0.095 0.000 1.161 189 A CA 0.880 53.061 52.037 0.240 0.000 0.782 189 A CB -0.273 18.809 19.000 0.137 0.000 0.816 189 A HN 0.530 nan 8.150 nan 0.000 0.477 190 G N -2.521 106.315 108.800 0.059 0.000 2.179 190 G HA2 0.157 4.115 3.960 -0.004 0.000 0.220 190 G HA3 0.157 4.115 3.960 -0.004 0.000 0.220 190 G C 0.335 175.217 174.900 -0.031 0.000 0.990 190 G CA 0.109 45.215 45.100 0.010 0.000 0.646 190 G HN 1.511 nan 8.290 nan 0.000 0.517 191 A N 1.449 124.235 122.820 -0.057 0.000 2.304 191 A HA 0.614 4.932 4.320 -0.004 0.000 0.301 191 A C -0.708 176.835 177.584 -0.068 0.000 1.132 191 A CA -0.539 51.446 52.037 -0.088 0.000 0.819 191 A CB 1.925 20.817 19.000 -0.181 0.000 1.094 191 A HN -0.141 nan 8.150 nan 0.000 0.492 192 C N 0.238 119.524 119.300 -0.024 0.000 2.580 192 C HA 0.199 nan 4.460 nan 0.000 0.371 192 C C 1.156 176.165 174.990 0.032 0.000 1.308 192 C CA -0.321 58.694 59.018 -0.006 0.000 2.428 192 C CB 0.808 28.561 27.740 0.021 0.000 2.529 192 C HN 0.880 9.084 8.230 -0.044 0.000 0.657 193 S N 1.353 117.075 115.700 0.037 0.000 2.533 193 S HA 0.710 5.177 4.470 -0.004 0.000 0.271 193 S C -1.430 173.228 174.600 0.097 0.000 1.143 193 S CA -0.487 57.754 58.200 0.069 0.000 0.891 193 S CB 0.976 64.162 63.200 -0.023 0.000 1.105 193 S HN 0.431 nan 8.310 nan 0.000 0.468 194 L N 2.389 123.722 121.223 0.182 0.000 2.313 194 L HA 0.622 4.960 4.340 -0.004 0.000 0.283 194 L C -1.177 175.755 176.870 0.105 0.000 1.013 194 L CA -0.381 54.538 54.840 0.132 0.000 0.816 194 L CB 1.036 43.214 42.059 0.198 0.000 1.236 194 L HN 0.850 nan 8.230 nan 0.000 0.419 195 N N 6.783 125.526 118.700 0.073 0.000 2.531 195 N HA 0.314 5.051 4.740 -0.004 0.000 0.268 195 N C -1.116 174.428 175.510 0.057 0.000 1.023 195 N CA -0.473 52.615 53.050 0.065 0.000 0.896 195 N CB 2.433 40.958 38.487 0.064 0.000 1.233 195 N HN 0.542 nan 8.380 nan 0.000 0.512 196 I N 1.283 121.883 120.570 0.050 0.000 2.365 196 I HA 0.438 4.606 4.170 -0.004 0.000 0.291 196 I C -0.564 175.570 176.117 0.028 0.000 1.004 196 I CA -0.118 61.203 61.300 0.036 0.000 1.311 196 I CB 1.303 39.312 38.000 0.015 0.000 1.401 196 I HN 0.485 nan 8.210 nan 0.000 0.491 197 E N 8.386 128.610 120.200 0.041 0.000 2.304 197 E HA 0.281 4.629 4.350 -0.004 0.000 0.277 197 E C -2.027 174.629 176.600 0.093 0.000 0.898 197 E CA -0.748 55.672 56.400 0.035 0.000 0.764 197 E CB 2.328 32.045 29.700 0.028 0.000 1.216 197 E HN 0.411 nan 8.360 nan 0.000 0.419 198 S N 2.908 118.627 115.700 0.033 0.000 2.528 198 S HA -0.089 nan 4.470 nan 0.000 0.219 198 S C -0.058 174.639 174.600 0.162 0.000 0.985 198 S CA 0.856 59.104 58.200 0.079 0.000 0.914 198 S CB 0.377 63.607 63.200 0.050 0.000 0.776 198 S HN 0.208 8.539 8.310 0.035 0.000 0.526 199 Q N 1.407 121.213 119.800 0.010 0.000 2.333 199 Q HA 0.261 4.598 4.340 -0.004 0.000 0.268 199 Q C 0.156 176.066 176.000 -0.149 0.000 1.007 199 Q CA -0.523 55.231 55.803 -0.081 0.000 0.810 199 Q CB 1.526 30.062 28.738 -0.336 0.000 1.264 199 Q HN -0.148 nan 8.270 nan 0.000 0.452 200 Q N 1.437 121.062 119.800 -0.291 0.000 2.135 200 Q HA -0.194 4.144 4.340 -0.004 0.000 0.204 200 Q C 1.784 177.688 176.000 -0.161 0.000 0.981 200 Q CA 2.534 58.111 55.803 -0.377 0.000 0.856 200 Q CB 0.016 28.524 28.738 -0.383 0.000 0.902 200 Q HN 0.750 nan 8.270 nan 0.000 0.425 201 S N -0.723 114.915 115.700 -0.104 0.000 2.399 201 S HA -0.112 4.356 4.470 -0.004 0.000 0.231 201 S C 1.769 176.379 174.600 0.016 0.000 1.022 201 S CA 0.670 58.843 58.200 -0.045 0.000 0.983 201 S CB -0.181 62.998 63.200 -0.035 0.000 0.803 201 S HN 0.270 nan 8.310 nan 0.000 0.480 202 R N 1.257 121.752 120.500 -0.009 0.000 2.075 202 R HA 0.304 4.641 4.340 -0.004 0.000 0.226 202 R C 2.313 178.649 176.300 0.060 0.000 1.114 202 R CA 0.999 57.129 56.100 0.051 0.000 0.972 202 R CB -1.204 29.072 30.300 -0.040 0.000 0.869 202 R HN 0.501 nan 8.270 nan 0.000 0.437 203 I N 1.549 122.120 120.570 0.002 0.000 2.151 203 I HA -0.308 3.860 4.170 -0.004 0.000 0.243 203 I C 1.613 177.760 176.117 0.049 0.000 1.080 203 I CA 1.569 62.876 61.300 0.012 0.000 1.339 203 I CB -0.417 37.562 38.000 -0.035 0.000 1.039 203 I HN 0.061 nan 8.210 nan 0.000 0.409 204 D N 0.605 121.028 120.400 0.039 0.000 2.123 204 D HA -0.211 4.426 4.640 -0.004 0.000 0.196 204 D C 1.989 178.382 176.300 0.156 0.000 0.992 204 D CA 1.252 55.288 54.000 0.059 0.000 0.833 204 D CB -0.434 40.374 40.800 0.013 0.000 0.954 204 D HN 0.200 nan 8.370 nan 0.000 0.455 205 F N 1.751 121.702 119.950 0.002 0.000 2.134 205 F HA -0.119 4.405 4.527 -0.004 0.000 0.299 205 F C 2.179 178.007 175.800 0.046 0.000 1.097 205 F CA 1.038 59.052 58.000 0.023 0.000 1.264 205 F CB -0.296 38.715 39.000 0.017 0.000 1.001 205 F HN -0.198 nan 8.300 nan 0.000 0.479 206 R N 0.063 120.685 120.500 0.203 0.000 2.092 206 R HA -0.077 4.261 4.340 -0.004 0.000 0.231 206 R C 2.353 178.747 176.300 0.157 0.000 1.119 206 R CA 1.082 57.257 56.100 0.125 0.000 0.970 206 R CB -0.851 29.497 30.300 0.081 0.000 0.864 206 R HN 0.316 nan 8.270 nan 0.000 0.440 207 L N -0.014 121.286 121.223 0.129 0.000 2.056 207 L HA -0.113 4.224 4.340 -0.004 0.000 0.207 207 L C 2.425 179.357 176.870 0.103 0.000 1.078 207 L CA 1.483 56.377 54.840 0.091 0.000 0.749 207 L CB -0.458 41.636 42.059 0.059 0.000 0.901 207 L HN 0.295 nan 8.230 nan 0.000 0.433 208 E N 0.141 120.429 120.200 0.146 0.000 2.153 208 E HA -0.218 4.129 4.350 -0.004 0.000 0.194 208 E C 1.678 178.381 176.600 0.172 0.000 0.988 208 E CA 1.748 58.236 56.400 0.146 0.000 0.811 208 E CB 0.130 29.931 29.700 0.169 0.000 0.746 208 E HN 0.540 nan 8.360 nan 0.000 0.466 209 T N -2.444 112.250 114.554 0.233 0.000 3.086 209 T HA 0.223 4.570 4.350 -0.004 0.000 0.250 209 T C 0.594 175.397 174.700 0.172 0.000 1.074 209 T CA -0.061 62.187 62.100 0.247 0.000 0.988 209 T CB -0.022 69.034 68.868 0.313 0.000 0.988 209 T HN 0.190 nan 8.240 nan 0.000 0.530 210 R N -0.712 119.845 120.500 0.096 0.000 3.656 210 R HA -0.184 4.154 4.340 -0.004 0.000 0.297 210 R C -0.332 175.882 176.300 -0.143 0.000 1.166 210 R CA 0.662 56.742 56.100 -0.033 0.000 0.799 210 R CB -2.610 27.634 30.300 -0.094 0.000 1.285 210 R HN 0.504 nan 8.270 nan 0.000 0.477 211 Y N -1.369 118.918 120.300 -0.022 0.000 2.510 211 Y HA 0.238 4.786 4.550 -0.004 0.000 0.273 211 Y C 1.208 177.100 175.900 -0.013 0.000 1.119 211 Y CA 0.708 58.794 58.100 -0.023 0.000 1.286 211 Y CB 1.044 39.486 38.460 -0.031 0.000 1.061 211 Y HN 0.087 nan 8.280 nan 0.000 0.542 212 V N -0.385 119.590 119.914 0.102 0.000 2.876 212 V HA 0.235 4.352 4.120 -0.004 0.000 0.312 212 V C -0.287 175.813 176.094 0.010 0.000 1.085 212 V CA -0.618 61.714 62.300 0.053 0.000 0.945 212 V CB 1.997 33.858 31.823 0.064 0.000 1.017 212 V HN 0.023 nan 8.190 nan 0.000 0.428 213 D N 2.540 122.930 120.400 -0.017 0.000 2.202 213 D HA 0.106 4.743 4.640 -0.004 0.000 0.214 213 D C 0.214 176.504 176.300 -0.016 0.000 0.967 213 D CA 1.019 54.995 54.000 -0.040 0.000 0.871 213 D CB 0.494 41.239 40.800 -0.092 0.000 1.020 213 D HN 0.855 nan 8.370 nan 0.000 0.474 214 E N -0.376 119.825 120.200 0.001 0.000 2.412 214 E HA 0.418 4.765 4.350 -0.004 0.000 0.279 214 E C -1.092 175.524 176.600 0.027 0.000 0.984 214 E CA -0.874 55.537 56.400 0.020 0.000 0.788 214 E CB 1.815 31.539 29.700 0.041 0.000 1.277 214 E HN -0.185 nan 8.360 nan 0.000 0.455 215 Q N 1.117 120.932 119.800 0.026 0.000 2.322 215 Q HA 0.614 4.952 4.340 -0.004 0.000 0.265 215 Q C -1.142 174.874 176.000 0.025 0.000 0.985 215 Q CA -0.634 55.184 55.803 0.026 0.000 0.849 215 Q CB 1.707 30.456 28.738 0.018 0.000 1.274 215 Q HN 0.685 nan 8.270 nan 0.000 0.449 216 A N 2.032 124.867 122.820 0.025 0.000 2.313 216 A HA 0.279 4.597 4.320 -0.004 0.000 0.261 216 A C 0.922 178.519 177.584 0.021 0.000 1.090 216 A CA 0.223 52.269 52.037 0.014 0.000 0.807 216 A CB 0.481 19.482 19.000 0.002 0.000 1.055 216 A HN 0.948 nan 8.150 nan 0.000 0.492 217 T N -2.335 112.225 114.554 0.010 0.000 3.057 217 T HA 0.318 4.666 4.350 -0.004 0.000 0.254 217 T C 0.065 174.777 174.700 0.020 0.000 1.094 217 T CA 0.931 63.042 62.100 0.017 0.000 1.088 217 T CB -0.656 68.216 68.868 0.006 0.000 0.934 217 T HN 0.910 nan 8.240 nan 0.000 0.497 218 D N -1.277 119.129 120.400 0.010 0.000 2.769 218 D HA 0.264 4.902 4.640 -0.004 0.000 0.309 218 D C 0.395 176.693 176.300 -0.004 0.000 1.315 218 D CA -0.865 53.138 54.000 0.005 0.000 0.780 218 D CB 0.349 41.149 40.800 -0.000 0.000 1.312 218 D HN -0.100 nan 8.370 nan 0.000 0.437 219 L N 0.463 121.684 121.223 -0.004 0.000 2.046 219 L HA 0.011 4.349 4.340 -0.004 0.000 0.208 219 L C 1.215 178.072 176.870 -0.021 0.000 1.077 219 L CA 2.052 56.888 54.840 -0.006 0.000 0.747 219 L CB -0.888 41.174 42.059 0.006 0.000 0.896 219 L HN 0.494 nan 8.230 nan 0.000 0.432 220 D N -0.504 119.883 120.400 -0.022 0.000 2.117 220 D HA -0.223 4.415 4.640 -0.004 0.000 0.197 220 D C 1.810 178.078 176.300 -0.054 0.000 0.987 220 D CA 1.606 55.586 54.000 -0.033 0.000 0.829 220 D CB -0.178 40.606 40.800 -0.027 0.000 0.961 220 D HN 0.495 nan 8.370 nan 0.000 0.460 221 D N 0.276 120.648 120.400 -0.047 0.000 2.117 221 D HA -0.075 4.563 4.640 -0.004 0.000 0.198 221 D C 1.957 178.210 176.300 -0.079 0.000 0.982 221 D CA 1.542 55.507 54.000 -0.060 0.000 0.828 221 D CB -0.066 40.710 40.800 -0.039 0.000 0.967 221 D HN 0.077 nan 8.370 nan 0.000 0.464 222 A N 0.199 122.980 122.820 -0.066 0.000 1.908 222 A HA -0.144 4.173 4.320 -0.004 0.000 0.218 222 A C 2.411 179.897 177.584 -0.163 0.000 1.181 222 A CA 1.341 53.326 52.037 -0.087 0.000 0.627 222 A CB -0.905 18.061 19.000 -0.056 0.000 0.818 222 A HN 0.395 nan 8.150 nan 0.000 0.445 223 L N -0.725 120.401 121.223 -0.161 0.000 2.156 223 L HA -0.111 4.226 4.340 -0.004 0.000 0.208 223 L C 2.474 179.209 176.870 -0.226 0.000 1.095 223 L CA 0.626 55.329 54.840 -0.230 0.000 0.770 223 L CB -0.477 41.496 42.059 -0.144 0.000 0.914 223 L HN 0.239 nan 8.230 nan 0.000 0.439 224 V N 0.169 119.980 119.914 -0.171 0.000 2.287 224 V HA -0.299 3.819 4.120 -0.004 0.000 0.248 224 V C 2.634 178.582 176.094 -0.243 0.000 1.053 224 V CA 1.843 64.037 62.300 -0.177 0.000 1.027 224 V CB -0.592 31.147 31.823 -0.139 0.000 0.646 224 V HN 0.443 nan 8.190 nan 0.000 0.447 225 R N -0.461 119.889 120.500 -0.250 0.000 2.066 225 R HA -0.081 4.257 4.340 -0.004 0.000 0.232 225 R C 2.273 178.394 176.300 -0.299 0.000 1.131 225 R CA 1.374 57.274 56.100 -0.333 0.000 0.955 225 R CB -0.401 29.801 30.300 -0.164 0.000 0.851 225 R HN 0.344 nan 8.270 nan 0.000 0.432 226 I N 1.139 121.536 120.570 -0.289 0.000 2.208 226 I HA -0.248 3.920 4.170 -0.004 0.000 0.245 226 I C 2.562 178.463 176.117 -0.360 0.000 1.097 226 I CA 1.481 62.541 61.300 -0.400 0.000 1.363 226 I CB -1.295 36.191 38.000 -0.857 0.000 1.051 226 I HN 0.181 nan 8.210 nan 0.000 0.413 227 A N 0.663 123.282 122.820 -0.335 0.000 1.902 227 A HA -0.257 4.061 4.320 -0.004 0.000 0.217 227 A C 2.492 179.967 177.584 -0.181 0.000 1.181 227 A CA 1.996 53.895 52.037 -0.230 0.000 0.623 227 A CB -0.555 18.334 19.000 -0.185 0.000 0.818 227 A HN 0.402 nan 8.150 nan 0.000 0.443 228 K N -1.755 118.501 120.400 -0.240 0.000 2.001 228 K HA -0.163 4.154 4.320 -0.004 0.000 0.208 228 K C 1.881 178.388 176.600 -0.155 0.000 1.048 228 K CA 1.653 57.792 56.287 -0.247 0.000 0.932 228 K CB -0.357 31.898 32.500 -0.408 0.000 0.715 228 K HN 0.449 nan 8.250 nan 0.000 0.437 229 Y N 1.384 121.618 120.300 -0.110 0.000 2.242 229 Y HA -0.161 4.387 4.550 -0.004 0.000 0.291 229 Y C 2.756 178.606 175.900 -0.083 0.000 1.137 229 Y CA 1.662 59.707 58.100 -0.092 0.000 1.181 229 Y CB -1.030 37.371 38.460 -0.098 0.000 0.989 229 Y HN 0.348 nan 8.280 nan 0.000 0.527 230 T N -2.359 112.226 114.554 0.051 0.000 2.777 230 T HA -0.167 4.181 4.350 -0.004 0.000 0.266 230 T C 2.251 176.954 174.700 0.006 0.000 1.040 230 T CA 1.127 63.236 62.100 0.015 0.000 1.141 230 T CB -0.910 67.955 68.868 -0.005 0.000 0.868 230 T HN 0.241 nan 8.240 nan 0.000 0.444 231 A N 2.152 124.963 122.820 -0.014 0.000 1.948 231 A HA -0.153 4.165 4.320 -0.004 0.000 0.220 231 A C 2.179 179.762 177.584 -0.002 0.000 1.177 231 A CA 1.741 53.770 52.037 -0.015 0.000 0.636 231 A CB -0.686 18.293 19.000 -0.035 0.000 0.815 231 A HN 0.732 nan 8.150 nan 0.000 0.449 232 E N -1.648 118.561 120.200 0.015 0.000 2.489 232 E HA 0.272 4.620 4.350 -0.004 0.000 0.193 232 E C 1.054 177.668 176.600 0.023 0.000 1.057 232 E CA 0.207 56.622 56.400 0.025 0.000 0.866 232 E CB -0.096 29.637 29.700 0.055 0.000 0.916 232 E HN 0.741 nan 8.360 nan 0.000 0.500 233 G N 2.185 110.997 108.800 0.020 0.000 2.179 233 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.257 233 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.257 233 G C 0.196 175.095 174.900 -0.002 0.000 1.010 233 G CA 0.268 45.371 45.100 0.006 0.000 0.736 233 G HN -0.027 nan 8.290 nan 0.000 0.513 234 K N -0.246 120.159 120.400 0.009 0.000 2.109 234 K HA 0.776 5.094 4.320 -0.004 0.000 0.243 234 K C 0.323 176.880 176.600 -0.072 0.000 1.006 234 K CA 0.000 56.263 56.287 -0.041 0.000 0.917 234 K CB 1.544 34.007 32.500 -0.060 0.000 1.081 234 K HN 0.766 nan 8.250 nan 0.000 0.468 235 A N 2.647 125.394 122.820 -0.122 0.000 2.709 235 A HA 0.433 4.751 4.320 -0.004 0.000 0.332 235 A C -0.715 176.761 177.584 -0.179 0.000 1.241 235 A CA -0.596 51.373 52.037 -0.114 0.000 0.782 235 A CB -0.089 18.866 19.000 -0.075 0.000 1.109 235 A HN 0.378 nan 8.150 nan 0.000 0.472 236 I N 1.998 122.425 120.570 -0.239 0.000 2.509 236 I HA 0.382 4.550 4.170 -0.004 0.000 0.293 236 I C 0.537 176.559 176.117 -0.159 0.000 1.020 236 I CA -0.387 60.722 61.300 -0.319 0.000 1.088 236 I CB 1.966 39.497 38.000 -0.781 0.000 1.267 236 I HN 0.597 nan 8.210 nan 0.000 0.430 237 S N 6.771 122.405 115.700 -0.110 0.000 2.480 237 S HA 0.722 5.189 4.470 -0.004 0.000 0.286 237 S C -0.564 174.028 174.600 -0.013 0.000 1.180 237 S CA -0.690 57.487 58.200 -0.038 0.000 1.075 237 S CB 1.442 64.635 63.200 -0.012 0.000 0.996 237 S HN 0.342 nan 8.310 nan 0.000 0.487 238 I N 2.271 122.850 120.570 0.015 0.000 2.406 238 I HA 0.530 4.697 4.170 -0.004 0.000 0.290 238 I C 0.346 176.483 176.117 0.034 0.000 0.999 238 I CA -0.952 60.364 61.300 0.028 0.000 1.124 238 I CB 1.038 39.053 38.000 0.025 0.000 1.289 238 I HN 0.904 nan 8.210 nan 0.000 0.441 239 A N 6.689 129.531 122.820 0.036 0.000 2.309 239 A HA 0.735 5.053 4.320 -0.004 0.000 0.298 239 A C -0.895 176.717 177.584 0.046 0.000 1.165 239 A CA -0.403 51.659 52.037 0.042 0.000 0.821 239 A CB 1.043 20.066 19.000 0.039 0.000 1.102 239 A HN 0.594 nan 8.150 nan 0.000 0.500 240 L N 2.261 123.518 121.223 0.057 0.000 2.376 240 L HA 0.436 4.774 4.340 -0.004 0.000 0.275 240 L C -0.593 176.343 176.870 0.109 0.000 0.987 240 L CA -0.422 54.459 54.840 0.068 0.000 0.828 240 L CB 1.526 43.612 42.059 0.045 0.000 1.249 240 L HN 0.811 nan 8.230 nan 0.000 0.409 241 H N 4.245 123.316 119.070 0.001 0.000 2.878 241 H HA 0.699 5.253 4.556 -0.004 0.000 0.290 241 H C 0.055 175.382 175.328 -0.002 0.000 1.065 241 H CA 0.550 56.596 56.048 -0.002 0.000 1.477 241 H CB 0.307 30.071 29.762 0.003 0.000 1.484 241 H HN 0.877 nan 8.280 nan 0.000 0.504 242 G N 3.817 112.567 108.800 -0.084 0.000 2.323 242 G HA2 0.040 3.997 3.960 -0.004 0.000 0.291 242 G HA3 0.040 3.997 3.960 -0.004 0.000 0.291 242 G C -1.567 173.274 174.900 -0.099 0.000 1.278 242 G CA -0.984 44.024 45.100 -0.153 0.000 0.860 242 G HN 0.690 nan 8.290 nan 0.000 0.504 243 N N 0.268 118.907 118.700 -0.103 0.000 2.372 243 N HA 0.541 5.279 4.740 -0.004 0.000 0.285 243 N C 1.133 176.553 175.510 -0.151 0.000 1.008 243 N CA 0.237 53.209 53.050 -0.129 0.000 0.880 243 N CB 1.942 40.359 38.487 -0.118 0.000 1.239 243 N HN 0.810 nan 8.380 nan 0.000 0.484 244 A N 3.482 126.168 122.820 -0.225 0.000 1.972 244 A HA -0.059 4.259 4.320 -0.004 0.000 0.219 244 A C 1.878 179.232 177.584 -0.383 0.000 1.169 244 A CA 1.882 53.728 52.037 -0.319 0.000 0.635 244 A CB -0.543 18.163 19.000 -0.490 0.000 0.810 244 A HN 0.734 nan 8.150 nan 0.000 0.446 245 A N -0.511 122.130 122.820 -0.299 0.000 2.121 245 A HA -0.056 4.262 4.320 -0.004 0.000 0.218 245 A C 1.830 179.383 177.584 -0.051 0.000 1.154 245 A CA 1.427 53.396 52.037 -0.113 0.000 0.679 245 A CB -0.273 18.753 19.000 0.044 0.000 0.795 245 A HN 0.673 nan 8.150 nan 0.000 0.458 246 E N -0.657 119.503 120.200 -0.066 0.000 2.132 246 E HA 0.098 4.446 4.350 -0.004 0.000 0.193 246 E C 1.698 178.286 176.600 -0.019 0.000 0.951 246 E CA 0.510 56.892 56.400 -0.030 0.000 0.843 246 E CB -0.093 29.590 29.700 -0.028 0.000 0.807 246 E HN 0.612 nan 8.360 nan 0.000 0.467 247 I N 1.483 122.036 120.570 -0.029 0.000 2.286 247 I HA -0.208 3.959 4.170 -0.004 0.000 0.245 247 I C 2.329 178.481 176.117 0.058 0.000 1.104 247 I CA 0.765 62.071 61.300 0.011 0.000 1.397 247 I CB -0.091 37.913 38.000 0.006 0.000 1.072 247 I HN 0.100 nan 8.210 nan 0.000 0.417 248 L N 0.703 121.958 121.223 0.055 0.000 2.017 248 L HA -0.140 4.198 4.340 -0.004 0.000 0.208 248 L C -0.149 176.772 176.870 0.086 0.000 1.073 248 L CA 1.986 56.928 54.840 0.171 0.000 0.745 248 L CB -2.348 39.847 42.059 0.227 0.000 0.894 248 L HN 0.187 nan 8.230 nan 0.000 0.432 249 P HA -0.177 nan 4.420 nan 0.000 0.218 249 P C 1.365 178.648 177.300 -0.028 0.000 1.149 249 P CA 1.140 64.218 63.100 -0.036 0.000 0.817 249 P CB 0.128 31.820 31.700 -0.013 0.000 0.785 250 E N -0.020 120.186 120.200 0.010 0.000 2.072 250 E HA -0.133 4.215 4.350 -0.004 0.000 0.191 250 E C 1.857 178.484 176.600 0.045 0.000 0.985 250 E CA 1.145 57.557 56.400 0.021 0.000 0.801 250 E CB -1.213 28.502 29.700 0.026 0.000 0.750 250 E HN 0.114 nan 8.360 nan 0.000 0.452 251 L N -0.411 120.874 121.223 0.103 0.000 2.083 251 L HA -0.145 4.193 4.340 -0.004 0.000 0.209 251 L C 2.428 179.375 176.870 0.127 0.000 1.083 251 L CA 0.782 55.735 54.840 0.188 0.000 0.752 251 L CB -0.417 41.861 42.059 0.365 0.000 0.899 251 L HN 0.090 nan 8.230 nan 0.000 0.433 252 V N 0.030 119.899 119.914 -0.076 0.000 2.295 252 V HA -0.306 3.812 4.120 -0.004 0.000 0.246 252 V C 2.466 178.499 176.094 -0.101 0.000 1.049 252 V CA 1.803 63.937 62.300 -0.276 0.000 1.024 252 V CB -0.504 31.027 31.823 -0.487 0.000 0.648 252 V HN 0.421 nan 8.190 nan 0.000 0.447 253 K N -0.275 120.090 120.400 -0.059 0.000 2.152 253 K HA -0.150 4.168 4.320 -0.004 0.000 0.206 253 K C 2.208 178.808 176.600 0.001 0.000 1.048 253 K CA 1.334 57.605 56.287 -0.026 0.000 0.933 253 K CB -0.201 32.290 32.500 -0.015 0.000 0.721 253 K HN 0.410 nan 8.250 nan 0.000 0.447 254 R N -0.587 119.928 120.500 0.025 0.000 2.299 254 R HA 0.025 4.363 4.340 -0.004 0.000 0.197 254 R C 0.912 177.246 176.300 0.056 0.000 0.971 254 R CA 0.570 56.696 56.100 0.042 0.000 1.030 254 R CB 0.374 30.710 30.300 0.060 0.000 0.932 254 R HN 0.353 nan 8.270 nan 0.000 0.477 255 G N 1.233 110.068 108.800 0.059 0.000 2.160 255 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.251 255 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.251 255 G C 0.129 175.107 174.900 0.130 0.000 1.008 255 G CA 0.047 45.192 45.100 0.075 0.000 0.724 255 G HN 0.141 nan 8.290 nan 0.000 0.514 256 V N 0.018 120.044 119.914 0.187 0.000 2.572 256 V HA 0.455 4.573 4.120 -0.004 0.000 0.291 256 V C 0.970 177.243 176.094 0.299 0.000 1.039 256 V CA 0.231 62.683 62.300 0.253 0.000 1.055 256 V CB 1.418 33.419 31.823 0.297 0.000 0.969 256 V HN 0.464 nan 8.190 nan 0.000 0.482 257 R N 6.472 127.104 120.500 0.221 0.000 2.312 257 R HA 0.448 4.786 4.340 -0.004 0.000 0.310 257 R C -2.682 173.529 176.300 -0.148 0.000 1.064 257 R CA -1.506 54.640 56.100 0.076 0.000 0.983 257 R CB 1.171 31.520 30.300 0.083 0.000 1.139 257 R HN 0.476 nan 8.270 nan 0.000 0.536 258 P HA 0.153 nan 4.420 nan 0.000 0.274 258 P C -0.476 176.306 177.300 -0.863 0.000 1.246 258 P CA -0.310 61.905 63.100 -1.474 0.000 0.795 258 P CB 0.934 31.624 31.700 -1.683 0.000 1.006 259 D N -0.231 119.638 120.400 -0.885 0.000 2.305 259 D HA 0.074 4.712 4.640 -0.004 0.000 0.206 259 D C 0.773 176.937 176.300 -0.227 0.000 0.974 259 D CA 1.233 54.979 54.000 -0.423 0.000 0.871 259 D CB 0.249 40.751 40.800 -0.497 0.000 0.947 259 D HN 0.446 nan 8.370 nan 0.000 0.516 260 M N -1.224 118.148 119.600 -0.380 0.000 2.520 260 M HA 0.523 5.001 4.480 -0.004 0.000 0.280 260 M C -1.695 174.360 176.300 -0.408 0.000 1.232 260 M CA -0.940 54.214 55.300 -0.244 0.000 0.892 260 M CB 3.041 35.649 32.600 0.012 0.000 1.728 260 M HN -0.435 nan 8.290 nan 0.000 0.475 261 V N 0.763 120.439 119.914 -0.398 0.000 2.638 261 V HA 0.840 4.958 4.120 -0.004 0.000 0.306 261 V C -0.462 175.289 176.094 -0.571 0.000 1.052 261 V CA -0.088 61.921 62.300 -0.484 0.000 0.885 261 V CB 1.958 33.467 31.823 -0.523 0.000 0.999 261 V HN 1.064 nan 8.190 nan 0.000 0.424 262 T N 2.683 116.935 114.554 -0.503 0.000 2.618 262 T HA 0.617 4.964 4.350 -0.004 0.000 0.293 262 T C -2.203 172.379 174.700 -0.195 0.000 1.093 262 T CA -0.336 61.435 62.100 -0.549 0.000 1.061 262 T CB 2.072 70.341 68.868 -0.998 0.000 1.498 262 T HN 0.832 nan 8.240 nan 0.000 0.494 263 D N -0.073 120.286 120.400 -0.068 0.000 2.803 263 D HA 0.409 5.046 4.640 -0.004 0.000 0.218 263 D C -1.181 175.217 176.300 0.164 0.000 1.245 263 D CA -0.228 53.824 54.000 0.087 0.000 0.821 263 D CB 1.825 42.679 40.800 0.091 0.000 1.626 263 D HN 0.388 nan 8.370 nan 0.000 0.487 264 Q N 2.203 122.120 119.800 0.196 0.000 2.248 264 Q HA 0.208 4.545 4.340 -0.004 0.000 0.324 264 Q C -0.545 175.586 176.000 0.218 0.000 0.867 264 Q CA -0.400 55.536 55.803 0.222 0.000 1.101 264 Q CB 0.603 29.494 28.738 0.256 0.000 1.328 264 Q HN 0.713 nan 8.270 nan 0.000 0.408 265 T N -2.631 112.076 114.554 0.255 0.000 2.748 265 T HA 0.177 4.524 4.350 -0.004 0.000 0.304 265 T C 0.723 175.622 174.700 0.331 0.000 1.041 265 T CA -0.356 61.910 62.100 0.277 0.000 1.033 265 T CB 1.282 70.358 68.868 0.347 0.000 0.995 265 T HN 0.024 nan 8.240 nan 0.000 0.536 266 S N 0.891 116.803 115.700 0.354 0.000 3.697 266 S HA 0.398 4.866 4.470 -0.004 0.000 0.207 266 S C 1.663 176.444 174.600 0.302 0.000 1.459 266 S CA -0.277 58.176 58.200 0.422 0.000 1.122 266 S CB -1.004 62.440 63.200 0.407 0.000 1.311 266 S HN 0.822 nan 8.310 nan 0.000 0.487 267 A N 1.766 124.783 122.820 0.328 0.000 2.172 267 A HA -0.134 4.183 4.320 -0.004 0.000 0.216 267 A C 1.865 179.473 177.584 0.040 0.000 1.154 267 A CA 1.077 53.194 52.037 0.133 0.000 0.701 267 A CB -0.600 18.422 19.000 0.037 0.000 0.789 267 A HN 0.862 nan 8.150 nan 0.000 0.465 268 H N -1.539 117.593 119.070 0.103 0.000 2.521 268 H HA -0.001 4.553 4.556 -0.004 0.000 0.286 268 H C -0.551 174.893 175.328 0.193 0.000 1.034 268 H CA 1.204 57.340 56.048 0.147 0.000 1.278 268 H CB -0.071 29.822 29.762 0.218 0.000 1.386 268 H HN 0.382 nan 8.280 nan 0.000 0.567 269 D N 1.016 121.010 120.400 -0.676 0.000 2.400 269 D HA 0.217 4.855 4.640 -0.004 0.000 0.272 269 D C -2.030 173.964 176.300 -0.511 0.000 1.220 269 D CA -2.393 51.078 54.000 -0.882 0.000 0.897 269 D CB 1.434 41.463 40.800 -1.286 0.000 1.134 269 D HN -0.047 nan 8.370 nan 0.000 0.507 270 P HA -0.142 nan 4.420 nan 0.000 0.217 270 P C 1.565 178.808 177.300 -0.095 0.000 1.148 270 P CA 0.398 63.410 63.100 -0.146 0.000 0.828 270 P CB 0.422 32.056 31.700 -0.110 0.000 0.783 271 L N -0.837 120.238 121.223 -0.247 0.000 2.093 271 L HA -0.044 4.293 4.340 -0.004 0.000 0.208 271 L C 1.472 178.130 176.870 -0.353 0.000 1.085 271 L CA 2.016 56.711 54.840 -0.243 0.000 0.755 271 L CB -0.759 41.132 42.059 -0.281 0.000 0.904 271 L HN -0.059 nan 8.230 nan 0.000 0.435 272 N N -1.779 116.724 118.700 -0.329 0.000 2.257 272 N HA 0.169 4.907 4.740 -0.004 0.000 0.200 272 N C 1.348 176.881 175.510 0.039 0.000 1.163 272 N CA 0.875 53.746 53.050 -0.297 0.000 0.891 272 N CB 0.625 38.950 38.487 -0.270 0.000 1.067 272 N HN 0.371 nan 8.380 nan 0.000 0.497 273 G N -0.965 107.912 108.800 0.128 0.000 3.228 273 G HA2 0.105 4.063 3.960 -0.004 0.000 0.245 273 G HA3 0.105 4.063 3.960 -0.004 0.000 0.245 273 G C -0.686 174.451 174.900 0.396 0.000 1.051 273 G CA 0.073 45.351 45.100 0.298 0.000 0.809 273 G HN 0.193 nan 8.290 nan 0.000 0.531 274 Y N 0.566 120.949 120.300 0.138 0.000 2.315 274 Y HA 0.534 5.082 4.550 -0.004 0.000 0.324 274 Y C -1.105 174.472 175.900 -0.538 0.000 1.062 274 Y CA -1.280 56.783 58.100 -0.062 0.000 1.159 274 Y CB 1.643 40.067 38.460 -0.060 0.000 1.145 274 Y HN -0.064 nan 8.280 nan 0.000 0.442 275 L N 9.473 130.252 121.223 -0.740 0.000 2.369 275 L HA 0.475 4.812 4.340 -0.004 0.000 0.279 275 L C -2.496 173.959 176.870 -0.692 0.000 1.108 275 L CA -1.743 52.571 54.840 -0.877 0.000 0.852 275 L CB 0.228 42.100 42.059 -0.312 0.000 1.169 275 L HN 0.422 nan 8.230 nan 0.000 0.452 276 P HA 0.130 nan 4.420 nan 0.000 0.269 276 P C -0.988 176.081 177.300 -0.384 0.000 1.209 276 P CA -0.295 62.404 63.100 -0.668 0.000 0.776 276 P CB 0.512 31.371 31.700 -1.401 0.000 0.876 277 A N 2.744 125.477 122.820 -0.145 0.000 2.566 277 A HA 0.375 4.693 4.320 -0.004 0.000 0.245 277 A C 1.592 179.260 177.584 0.139 0.000 1.056 277 A CA 0.979 53.011 52.037 -0.008 0.000 0.757 277 A CB -1.584 17.428 19.000 0.021 0.000 0.979 277 A HN 0.880 nan 8.150 nan 0.000 0.508 278 G N 1.178 110.063 108.800 0.141 0.000 2.241 278 G HA2 -0.238 3.720 3.960 -0.004 0.000 0.244 278 G HA3 -0.238 3.720 3.960 -0.004 0.000 0.244 278 G C 0.012 175.081 174.900 0.282 0.000 0.998 278 G CA 0.296 45.511 45.100 0.191 0.000 0.621 278 G HN 0.774 nan 8.290 nan 0.000 0.519 279 W N 1.800 123.081 121.300 -0.032 0.000 2.253 279 W HA 0.653 5.310 4.660 -0.004 0.000 0.348 279 W C 1.109 177.631 176.519 0.005 0.000 1.229 279 W CA 0.163 57.498 57.345 -0.017 0.000 1.335 279 W CB 0.309 29.745 29.460 -0.040 0.000 1.165 279 W HN 0.427 nan 8.180 nan 0.000 0.631 280 T N -1.802 112.914 114.554 0.271 0.000 2.927 280 T HA 0.109 4.456 4.350 -0.004 0.000 0.281 280 T C 0.631 175.530 174.700 0.332 0.000 0.998 280 T CA -0.642 61.606 62.100 0.247 0.000 1.019 280 T CB 1.182 70.160 68.868 0.182 0.000 1.061 280 T HN 0.619 nan 8.240 nan 0.000 0.518 281 W N 1.059 122.464 121.300 0.176 0.000 2.374 281 W HA -0.121 4.536 4.660 -0.004 0.000 0.288 281 W C 1.297 177.958 176.519 0.237 0.000 1.218 281 W CA 1.680 59.163 57.345 0.230 0.000 1.245 281 W CB -0.062 29.503 29.460 0.175 0.000 1.126 281 W HN 0.869 nan 8.180 nan 0.000 0.545 282 E N -0.005 120.365 120.200 0.283 0.000 2.107 282 E HA -0.210 4.138 4.350 -0.004 0.000 0.191 282 E C 2.095 178.748 176.600 0.088 0.000 0.982 282 E CA 1.367 57.863 56.400 0.160 0.000 0.809 282 E CB -0.737 29.050 29.700 0.145 0.000 0.756 282 E HN 0.326 nan 8.360 nan 0.000 0.459 283 Q N -0.558 119.309 119.800 0.112 0.000 2.084 283 Q HA -0.195 4.143 4.340 -0.004 0.000 0.202 283 Q C 1.893 177.996 176.000 0.172 0.000 0.978 283 Q CA 1.556 57.398 55.803 0.065 0.000 0.844 283 Q CB -0.251 28.483 28.738 -0.007 0.000 0.898 283 Q HN 0.456 nan 8.270 nan 0.000 0.426 284 Y N 0.957 121.330 120.300 0.121 0.000 2.145 284 Y HA -0.230 4.317 4.550 -0.004 0.000 0.286 284 Y C 2.288 178.115 175.900 -0.121 0.000 1.145 284 Y CA 1.158 59.312 58.100 0.091 0.000 1.148 284 Y CB 0.197 38.518 38.460 -0.231 0.000 0.981 284 Y HN -0.038 nan 8.280 nan 0.000 0.507 285 R N 0.304 120.607 120.500 -0.327 0.000 2.081 285 R HA -0.159 4.179 4.340 -0.004 0.000 0.235 285 R C 1.593 177.784 176.300 -0.181 0.000 1.131 285 R CA 1.710 57.593 56.100 -0.361 0.000 0.960 285 R CB -0.572 29.592 30.300 -0.226 0.000 0.856 285 R HN 0.460 nan 8.270 nan 0.000 0.436 286 D N 0.138 120.488 120.400 -0.084 0.000 2.117 286 D HA -0.076 4.562 4.640 -0.004 0.000 0.198 286 D C 1.988 178.262 176.300 -0.043 0.000 0.982 286 D CA 1.092 55.061 54.000 -0.052 0.000 0.828 286 D CB -0.097 40.684 40.800 -0.031 0.000 0.967 286 D HN 0.120 nan 8.370 nan 0.000 0.464 287 R N 0.333 120.828 120.500 -0.008 0.000 2.189 287 R HA 0.134 4.472 4.340 -0.004 0.000 0.218 287 R C 2.077 178.390 176.300 0.020 0.000 1.074 287 R CA 0.767 56.886 56.100 0.031 0.000 0.991 287 R CB -0.071 30.289 30.300 0.099 0.000 0.883 287 R HN 0.062 nan 8.270 nan 0.000 0.457 288 A N 1.066 123.847 122.820 -0.065 0.000 2.070 288 A HA -0.204 4.114 4.320 -0.004 0.000 0.220 288 A C 1.866 179.401 177.584 -0.082 0.000 1.159 288 A CA 1.170 53.129 52.037 -0.130 0.000 0.656 288 A CB -0.193 18.611 19.000 -0.326 0.000 0.800 288 A HN 0.342 nan 8.150 nan 0.000 0.453 289 Q N -1.629 118.132 119.800 -0.065 0.000 2.163 289 Q HA -0.059 4.279 4.340 -0.004 0.000 0.198 289 Q C 1.964 177.953 176.000 -0.017 0.000 0.954 289 Q CA 1.597 57.377 55.803 -0.038 0.000 0.851 289 Q CB -0.165 28.551 28.738 -0.037 0.000 0.928 289 Q HN 0.593 nan 8.270 nan 0.000 0.459 290 T N 1.265 115.813 114.554 -0.011 0.000 2.852 290 T HA -0.072 4.275 4.350 -0.004 0.000 0.256 290 T C 0.474 175.181 174.700 0.012 0.000 1.038 290 T CA 1.071 63.171 62.100 -0.001 0.000 1.141 290 T CB 0.139 69.004 68.868 -0.006 0.000 0.869 290 T HN 0.421 nan 8.240 nan 0.000 0.439 291 E N 0.534 120.748 120.200 0.024 0.000 3.935 291 E HA 0.221 4.569 4.350 -0.004 0.000 0.226 291 E C -2.407 174.224 176.600 0.052 0.000 1.220 291 E CA -1.403 55.023 56.400 0.043 0.000 1.226 291 E CB 1.193 30.928 29.700 0.058 0.000 1.237 291 E HN 0.165 nan 8.360 nan 0.000 0.417 292 P HA -0.238 nan 4.420 nan 0.000 0.216 292 P C 1.346 178.666 177.300 0.034 0.000 1.150 292 P CA 1.826 64.936 63.100 0.016 0.000 0.837 292 P CB 0.266 31.970 31.700 0.006 0.000 0.786 293 A N 0.280 123.127 122.820 0.045 0.000 1.930 293 A HA 0.013 4.331 4.320 -0.004 0.000 0.217 293 A C 2.442 180.061 177.584 0.059 0.000 1.175 293 A CA 1.950 54.016 52.037 0.049 0.000 0.627 293 A CB -1.419 17.611 19.000 0.049 0.000 0.815 293 A HN 0.228 nan 8.150 nan 0.000 0.443 294 A N -0.640 122.227 122.820 0.078 0.000 1.968 294 A HA 0.106 4.424 4.320 -0.004 0.000 0.217 294 A C 2.171 179.840 177.584 0.141 0.000 1.169 294 A CA 1.497 53.600 52.037 0.109 0.000 0.638 294 A CB -0.694 18.381 19.000 0.126 0.000 0.812 294 A HN 0.325 nan 8.150 nan 0.000 0.446 295 V N -0.377 119.624 119.914 0.145 0.000 2.307 295 V HA -0.216 3.901 4.120 -0.004 0.000 0.245 295 V C 2.571 178.669 176.094 0.007 0.000 1.045 295 V CA 1.926 64.300 62.300 0.125 0.000 1.024 295 V CB -0.767 31.133 31.823 0.129 0.000 0.651 295 V HN 0.360 nan 8.190 nan 0.000 0.449 296 V N -0.257 119.664 119.914 0.012 0.000 2.287 296 V HA -0.264 3.854 4.120 -0.004 0.000 0.248 296 V C 2.639 178.719 176.094 -0.023 0.000 1.053 296 V CA 1.874 64.166 62.300 -0.014 0.000 1.027 296 V CB -0.698 31.127 31.823 0.002 0.000 0.646 296 V HN 0.465 nan 8.190 nan 0.000 0.447 297 K N 0.152 120.555 120.400 0.005 0.000 2.057 297 K HA -0.097 4.221 4.320 -0.004 0.000 0.207 297 K C 2.306 178.895 176.600 -0.019 0.000 1.049 297 K CA 1.620 57.910 56.287 0.005 0.000 0.931 297 K CB -0.770 31.751 32.500 0.034 0.000 0.714 297 K HN 0.486 nan 8.250 nan 0.000 0.440 298 A N 1.406 124.210 122.820 -0.026 0.000 1.902 298 A HA -0.096 4.221 4.320 -0.004 0.000 0.217 298 A C 2.412 179.879 177.584 -0.195 0.000 1.181 298 A CA 2.060 54.047 52.037 -0.084 0.000 0.623 298 A CB -0.557 18.380 19.000 -0.105 0.000 0.818 298 A HN 0.313 nan 8.150 nan 0.000 0.443 299 A N -0.042 122.648 122.820 -0.217 0.000 1.877 299 A HA -0.160 4.157 4.320 -0.004 0.000 0.216 299 A C 2.109 179.591 177.584 -0.171 0.000 1.186 299 A CA 1.807 53.745 52.037 -0.165 0.000 0.620 299 A CB -0.453 18.487 19.000 -0.099 0.000 0.822 299 A HN 0.536 nan 8.150 nan 0.000 0.443 300 K N -0.502 119.810 120.400 -0.146 0.000 2.097 300 K HA -0.157 4.161 4.320 -0.004 0.000 0.206 300 K C 2.281 178.814 176.600 -0.111 0.000 1.049 300 K CA 1.506 57.703 56.287 -0.149 0.000 0.933 300 K CB -0.189 32.260 32.500 -0.085 0.000 0.717 300 K HN 0.595 nan 8.250 nan 0.000 0.442 301 Q N 0.121 119.881 119.800 -0.068 0.000 2.124 301 Q HA -0.100 4.237 4.340 -0.004 0.000 0.202 301 Q C 2.110 178.099 176.000 -0.019 0.000 0.977 301 Q CA 1.314 57.099 55.803 -0.031 0.000 0.850 301 Q CB 0.070 28.804 28.738 -0.007 0.000 0.901 301 Q HN 0.180 nan 8.270 nan 0.000 0.429 302 S N 0.246 115.934 115.700 -0.020 0.000 2.387 302 S HA -0.037 4.430 4.470 -0.004 0.000 0.226 302 S C 1.855 176.502 174.600 0.078 0.000 1.026 302 S CA 0.790 59.028 58.200 0.062 0.000 0.972 302 S CB -0.019 63.259 63.200 0.130 0.000 0.814 302 S HN 0.318 nan 8.310 nan 0.000 0.477 303 M N 1.101 120.615 119.600 -0.144 0.000 2.159 303 M HA -0.115 4.362 4.480 -0.004 0.000 0.263 303 M C 2.402 178.660 176.300 -0.069 0.000 1.063 303 M CA 1.385 56.539 55.300 -0.244 0.000 1.110 303 M CB -0.516 31.794 32.600 -0.485 0.000 1.374 303 M HN 0.386 nan 8.290 nan 0.000 0.411 304 A N -0.123 122.666 122.820 -0.051 0.000 1.902 304 A HA -0.097 4.220 4.320 -0.004 0.000 0.217 304 A C 2.239 179.841 177.584 0.029 0.000 1.181 304 A CA 1.567 53.593 52.037 -0.018 0.000 0.623 304 A CB -0.935 18.055 19.000 -0.016 0.000 0.818 304 A HN 0.292 nan 8.150 nan 0.000 0.443 305 V N -0.439 119.507 119.914 0.053 0.000 2.343 305 V HA -0.305 3.812 4.120 -0.004 0.000 0.247 305 V C 2.434 178.607 176.094 0.131 0.000 1.051 305 V CA 2.322 64.666 62.300 0.072 0.000 1.036 305 V CB -1.034 30.827 31.823 0.063 0.000 0.654 305 V HN 0.845 nan 8.190 nan 0.000 0.451 306 H N -0.611 118.488 119.070 0.048 0.000 2.321 306 H HA -0.135 4.419 4.556 -0.004 0.000 0.300 306 H C 2.267 177.638 175.328 0.072 0.000 1.087 306 H CA 1.686 57.783 56.048 0.081 0.000 1.319 306 H CB 0.242 30.092 29.762 0.147 0.000 1.379 306 H HN 0.246 nan 8.280 nan 0.000 0.501 307 V N 0.835 120.800 119.914 0.086 0.000 2.427 307 V HA -0.213 3.904 4.120 -0.004 0.000 0.248 307 V C 2.486 178.649 176.094 0.116 0.000 1.051 307 V CA 1.883 64.223 62.300 0.067 0.000 1.048 307 V CB -0.463 31.370 31.823 0.015 0.000 0.666 307 V HN 0.400 nan 8.190 nan 0.000 0.456 308 Q N 0.711 120.556 119.800 0.076 0.000 2.124 308 Q HA -0.141 4.197 4.340 -0.004 0.000 0.202 308 Q C 2.141 178.151 176.000 0.016 0.000 0.977 308 Q CA 2.154 57.986 55.803 0.049 0.000 0.850 308 Q CB -0.590 28.163 28.738 0.026 0.000 0.901 308 Q HN 0.596 nan 8.270 nan 0.000 0.429 309 A N -0.042 122.788 122.820 0.017 0.000 1.902 309 A HA -0.190 4.128 4.320 -0.004 0.000 0.217 309 A C 2.121 179.667 177.584 -0.064 0.000 1.181 309 A CA 1.744 53.728 52.037 -0.088 0.000 0.623 309 A CB -0.584 18.405 19.000 -0.018 0.000 0.818 309 A HN 0.506 nan 8.150 nan 0.000 0.443 310 M N -0.646 119.008 119.600 0.091 0.000 2.082 310 M HA -0.172 4.305 4.480 -0.004 0.000 0.258 310 M C 2.121 178.421 176.300 -0.001 0.000 1.069 310 M CA 1.565 56.885 55.300 0.034 0.000 1.102 310 M CB -0.596 31.864 32.600 -0.232 0.000 1.336 310 M HN 0.376 nan 8.290 nan 0.000 0.404 311 L N -0.194 121.086 121.223 0.094 0.000 2.083 311 L HA -0.242 4.095 4.340 -0.004 0.000 0.209 311 L C 1.987 178.886 176.870 0.050 0.000 1.083 311 L CA 1.007 55.931 54.840 0.141 0.000 0.752 311 L CB -0.758 41.395 42.059 0.156 0.000 0.899 311 L HN 0.270 nan 8.230 nan 0.000 0.433 312 D N -0.362 120.014 120.400 -0.039 0.000 2.144 312 D HA -0.162 4.476 4.640 -0.004 0.000 0.200 312 D C 2.083 178.316 176.300 -0.113 0.000 0.978 312 D CA 1.267 55.197 54.000 -0.115 0.000 0.833 312 D CB -0.179 40.484 40.800 -0.228 0.000 0.961 312 D HN 0.153 nan 8.370 nan 0.000 0.470 313 F N 1.153 121.077 119.950 -0.043 0.000 2.134 313 F HA -0.122 4.403 4.527 -0.004 0.000 0.299 313 F C 2.621 178.382 175.800 -0.065 0.000 1.097 313 F CA 0.937 58.894 58.000 -0.071 0.000 1.264 313 F CB -0.696 38.230 39.000 -0.124 0.000 1.001 313 F HN -0.023 nan 8.300 nan 0.000 0.479 314 Q N 0.386 120.262 119.800 0.127 0.000 2.124 314 Q HA -0.204 4.134 4.340 -0.004 0.000 0.202 314 Q C 2.155 178.197 176.000 0.070 0.000 0.977 314 Q CA 1.287 57.136 55.803 0.076 0.000 0.850 314 Q CB 0.008 28.803 28.738 0.096 0.000 0.901 314 Q HN 0.159 nan 8.270 nan 0.000 0.429 315 K N 0.122 120.560 120.400 0.062 0.000 2.209 315 K HA -0.110 4.208 4.320 -0.004 0.000 0.204 315 K C 1.729 178.354 176.600 0.041 0.000 1.048 315 K CA 0.882 57.197 56.287 0.046 0.000 0.940 315 K CB 0.104 32.621 32.500 0.029 0.000 0.729 315 K HN 0.374 nan 8.250 nan 0.000 0.451 316 Q N -0.608 119.222 119.800 0.050 0.000 2.444 316 Q HA 0.042 4.380 4.340 -0.004 0.000 0.206 316 Q C 0.869 176.899 176.000 0.050 0.000 0.948 316 Q CA 0.692 56.528 55.803 0.054 0.000 0.946 316 Q CB 0.533 29.317 28.738 0.075 0.000 1.027 316 Q HN 0.499 nan 8.270 nan 0.000 0.513 317 G N 1.038 109.863 108.800 0.042 0.000 2.141 317 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.231 317 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.231 317 G C 0.180 175.075 174.900 -0.009 0.000 0.984 317 G CA 0.272 45.384 45.100 0.021 0.000 0.660 317 G HN 0.394 nan 8.290 nan 0.000 0.525 318 V N 0.072 119.985 119.914 -0.002 0.000 2.455 318 V HA 0.670 4.788 4.120 -0.004 0.000 0.273 318 V C -1.808 174.222 176.094 -0.107 0.000 1.045 318 V CA -2.065 60.199 62.300 -0.061 0.000 0.976 318 V CB 0.957 32.720 31.823 -0.100 0.000 0.993 318 V HN 0.058 nan 8.190 nan 0.000 0.475 319 P HA 0.186 nan 4.420 nan 0.000 0.258 319 P C -0.488 176.788 177.300 -0.041 0.000 1.187 319 P CA 0.687 63.649 63.100 -0.229 0.000 0.767 319 P CB 0.133 31.532 31.700 -0.503 0.000 0.770 320 T N 4.551 119.125 114.554 0.034 0.000 2.886 320 T HA 0.748 5.095 4.350 -0.004 0.000 0.292 320 T C -0.523 174.268 174.700 0.151 0.000 1.012 320 T CA -0.312 61.728 62.100 -0.100 0.000 0.982 320 T CB 0.669 69.370 68.868 -0.278 0.000 1.018 320 T HN 0.269 nan 8.240 nan 0.000 0.451 321 F N -0.414 119.546 119.950 0.016 0.000 2.668 321 F HA 0.649 5.174 4.527 -0.004 0.000 0.309 321 F C -1.218 174.791 175.800 0.349 0.000 1.117 321 F CA -1.283 56.901 58.000 0.306 0.000 0.951 321 F CB 1.184 40.436 39.000 0.419 0.000 1.323 321 F HN 0.378 nan 8.300 nan 0.000 0.451 322 D N 1.100 121.927 120.400 0.711 0.000 2.249 322 D HA 0.099 4.737 4.640 -0.004 0.000 0.246 322 D C -1.232 175.466 176.300 0.662 0.000 1.114 322 D CA -0.037 54.293 54.000 0.551 0.000 0.854 322 D CB 1.139 42.182 40.800 0.406 0.000 1.132 322 D HN 0.820 nan 8.370 nan 0.000 0.461 323 Y N 2.576 123.057 120.300 0.302 0.000 2.801 323 Y HA 0.303 4.851 4.550 -0.004 0.000 0.318 323 Y C 1.035 177.012 175.900 0.129 0.000 1.073 323 Y CA 0.163 58.357 58.100 0.157 0.000 1.360 323 Y CB 0.016 38.473 38.460 -0.005 0.000 1.220 323 Y HN 0.722 nan 8.280 nan 0.000 0.536 324 G N 1.833 110.751 108.800 0.197 0.000 2.203 324 G HA2 -0.318 3.639 3.960 -0.004 0.000 0.231 324 G HA3 -0.318 3.639 3.960 -0.004 0.000 0.231 324 G C 0.030 174.989 174.900 0.099 0.000 1.058 324 G CA 0.349 45.555 45.100 0.177 0.000 0.781 324 G HN 0.597 nan 8.290 nan 0.000 0.496 325 N N -0.140 118.632 118.700 0.121 0.000 2.197 325 N HA 0.157 4.895 4.740 -0.004 0.000 0.228 325 N C 0.743 176.330 175.510 0.128 0.000 1.212 325 N CA -0.070 53.069 53.050 0.148 0.000 0.883 325 N CB -0.057 38.545 38.487 0.192 0.000 1.107 325 N HN 0.288 nan 8.380 nan 0.000 0.519 326 N N 0.106 118.840 118.700 0.057 0.000 2.753 326 N HA -0.196 4.541 4.740 -0.004 0.000 0.251 326 N C 0.392 175.831 175.510 -0.118 0.000 1.097 326 N CA 0.712 53.728 53.050 -0.056 0.000 0.786 326 N CB -1.677 36.734 38.487 -0.127 0.000 1.137 326 N HN 0.583 nan 8.380 nan 0.000 0.566 327 I N -0.161 120.355 120.570 -0.089 0.000 2.361 327 I HA -0.229 3.939 4.170 -0.004 0.000 0.251 327 I C 2.140 178.115 176.117 -0.236 0.000 1.133 327 I CA 1.214 62.422 61.300 -0.153 0.000 1.413 327 I CB 0.020 37.945 38.000 -0.126 0.000 1.073 327 I HN 0.250 nan 8.210 nan 0.000 0.424 328 R N -0.037 120.253 120.500 -0.350 0.000 2.081 328 R HA -0.244 4.093 4.340 -0.004 0.000 0.235 328 R C 2.265 178.260 176.300 -0.509 0.000 1.131 328 R CA 1.636 57.343 56.100 -0.653 0.000 0.960 328 R CB -0.371 29.125 30.300 -1.339 0.000 0.856 328 R HN 0.330 nan 8.270 nan 0.000 0.436 329 Q N 0.361 119.984 119.800 -0.295 0.000 2.084 329 Q HA -0.109 4.229 4.340 -0.004 0.000 0.202 329 Q C 1.914 177.880 176.000 -0.056 0.000 0.978 329 Q CA 1.651 57.444 55.803 -0.017 0.000 0.844 329 Q CB 0.058 28.702 28.738 -0.157 0.000 0.898 329 Q HN 0.172 nan 8.270 nan 0.000 0.426 330 M N -0.619 118.903 119.600 -0.130 0.000 2.132 330 M HA -0.008 4.469 4.480 -0.004 0.000 0.263 330 M C 2.154 178.399 176.300 -0.092 0.000 1.065 330 M CA 1.546 56.784 55.300 -0.103 0.000 1.122 330 M CB -1.383 31.124 32.600 -0.154 0.000 1.365 330 M HN 0.354 nan 8.290 nan 0.000 0.411 331 A N 0.409 123.154 122.820 -0.125 0.000 1.902 331 A HA -0.193 4.125 4.320 -0.004 0.000 0.217 331 A C 2.340 179.896 177.584 -0.046 0.000 1.181 331 A CA 1.960 53.940 52.037 -0.095 0.000 0.623 331 A CB -0.665 18.264 19.000 -0.117 0.000 0.818 331 A HN 0.501 nan 8.150 nan 0.000 0.443 332 K N -0.029 120.354 120.400 -0.028 0.000 2.057 332 K HA -0.197 4.121 4.320 -0.004 0.000 0.207 332 K C 1.787 178.416 176.600 0.048 0.000 1.049 332 K CA 1.744 58.058 56.287 0.045 0.000 0.931 332 K CB -0.212 32.385 32.500 0.163 0.000 0.714 332 K HN 0.613 nan 8.250 nan 0.000 0.440 333 E N 0.008 120.235 120.200 0.045 0.000 2.265 333 E HA -0.161 4.186 4.350 -0.004 0.000 0.196 333 E C 1.115 177.730 176.600 0.025 0.000 0.996 333 E CA 0.757 57.184 56.400 0.045 0.000 0.832 333 E CB 0.148 29.881 29.700 0.056 0.000 0.756 333 E HN 0.206 nan 8.360 nan 0.000 0.491 334 E N -0.842 119.362 120.200 0.007 0.000 2.444 334 E HA 0.100 4.448 4.350 -0.004 0.000 0.191 334 E C 0.533 177.137 176.600 0.007 0.000 1.041 334 E CA 0.219 56.620 56.400 0.001 0.000 0.883 334 E CB 0.681 30.370 29.700 -0.018 0.000 1.024 334 E HN 0.301 nan 8.360 nan 0.000 0.470 335 G N -0.449 108.360 108.800 0.014 0.000 2.163 335 G HA2 -0.226 3.732 3.960 -0.004 0.000 0.213 335 G HA3 -0.226 3.732 3.960 -0.004 0.000 0.213 335 G C 0.109 175.019 174.900 0.017 0.000 0.991 335 G CA 0.122 45.233 45.100 0.017 0.000 0.653 335 G HN 0.121 nan 8.290 nan 0.000 0.518 336 V N 1.720 121.641 119.914 0.012 0.000 2.267 336 V HA 0.543 4.660 4.120 -0.004 0.000 0.254 336 V C 1.676 177.784 176.094 0.023 0.000 1.144 336 V CA 0.654 62.961 62.300 0.010 0.000 0.992 336 V CB 0.253 32.073 31.823 -0.006 0.000 1.199 336 V HN 0.758 nan 8.190 nan 0.000 0.493 337 A N 4.350 127.189 122.820 0.032 0.000 2.067 337 A HA -0.106 4.212 4.320 -0.004 0.000 0.219 337 A C 1.684 179.306 177.584 0.063 0.000 1.158 337 A CA 1.519 53.585 52.037 0.048 0.000 0.661 337 A CB -0.253 18.769 19.000 0.037 0.000 0.801 337 A HN 0.821 nan 8.150 nan 0.000 0.452 338 N N -0.251 118.477 118.700 0.046 0.000 2.320 338 N HA 0.332 5.069 4.740 -0.004 0.000 0.237 338 N C 0.968 176.483 175.510 0.008 0.000 1.129 338 N CA 0.640 53.719 53.050 0.048 0.000 0.854 338 N CB -0.173 38.340 38.487 0.044 0.000 1.083 338 N HN 0.212 nan 8.380 nan 0.000 0.504 339 A N 0.368 123.171 122.820 -0.028 0.000 1.986 339 A HA -0.068 4.249 4.320 -0.004 0.000 0.220 339 A C 1.092 178.362 177.584 -0.523 0.000 1.171 339 A CA 0.852 52.747 52.037 -0.237 0.000 0.640 339 A CB -0.840 17.994 19.000 -0.278 0.000 0.811 339 A HN 0.285 nan 8.150 nan 0.000 0.451 340 F N 0.153 119.956 119.950 -0.246 0.000 2.731 340 F HA 0.088 4.613 4.527 -0.004 0.000 0.304 340 F C 1.043 176.724 175.800 -0.200 0.000 1.133 340 F CA 0.061 57.899 58.000 -0.271 0.000 1.380 340 F CB 0.106 39.017 39.000 -0.148 0.000 1.079 340 F HN 0.138 nan 8.300 nan 0.000 0.550 341 D N 0.195 120.566 120.400 -0.048 0.000 2.348 341 D HA -0.081 4.557 4.640 -0.004 0.000 0.216 341 D C 0.303 176.674 176.300 0.118 0.000 0.970 341 D CA 0.769 54.800 54.000 0.051 0.000 0.889 341 D CB -0.155 40.698 40.800 0.087 0.000 0.912 341 D HN 0.269 nan 8.370 nan 0.000 0.524 342 F N -0.492 119.498 119.950 0.066 0.000 2.480 342 F HA 0.662 5.187 4.527 -0.004 0.000 0.329 342 F C -2.699 173.164 175.800 0.105 0.000 1.091 342 F CA -2.850 55.200 58.000 0.083 0.000 0.972 342 F CB 1.100 40.147 39.000 0.078 0.000 1.150 342 F HN -0.312 nan 8.300 nan 0.000 0.467 343 P HA 0.323 nan 4.420 nan 0.000 0.281 343 P C -0.258 177.205 177.300 0.272 0.000 1.264 343 P CA -0.257 62.957 63.100 0.189 0.000 0.824 343 P CB 1.359 33.115 31.700 0.094 0.000 1.092 344 G N 0.156 109.073 108.800 0.195 0.000 2.527 344 G HA2 0.189 4.147 3.960 -0.004 0.000 0.248 344 G HA3 0.189 4.147 3.960 -0.004 0.000 0.248 344 G C 0.672 175.682 174.900 0.183 0.000 1.231 344 G CA -0.653 44.601 45.100 0.255 0.000 0.838 344 G HN 0.557 nan 8.290 nan 0.000 0.570 345 F N 0.781 120.863 119.950 0.221 0.000 2.269 345 F HA -0.080 4.444 4.527 -0.004 0.000 0.301 345 F C 1.929 177.719 175.800 -0.016 0.000 1.082 345 F CA 1.066 59.146 58.000 0.133 0.000 1.360 345 F CB -0.515 38.720 39.000 0.391 0.000 1.041 345 F HN 0.134 nan 8.300 nan 0.000 0.512 346 V N 2.148 121.584 119.914 -0.796 0.000 2.255 346 V HA -0.126 3.992 4.120 -0.004 0.000 0.243 346 V C -0.031 175.850 176.094 -0.354 0.000 1.038 346 V CA 1.884 63.787 62.300 -0.662 0.000 1.008 346 V CB -2.022 29.419 31.823 -0.637 0.000 0.645 346 V HN 0.222 nan 8.190 nan 0.000 0.449 347 P HA -0.148 nan 4.420 nan 0.000 0.218 347 P C 1.556 178.723 177.300 -0.222 0.000 1.149 347 P CA 2.204 65.206 63.100 -0.163 0.000 0.817 347 P CB -0.045 31.607 31.700 -0.079 0.000 0.785 348 A N -1.539 121.068 122.820 -0.355 0.000 1.897 348 A HA -0.131 4.187 4.320 -0.004 0.000 0.215 348 A C 1.630 178.831 177.584 -0.637 0.000 1.181 348 A CA 1.454 53.105 52.037 -0.643 0.000 0.620 348 A CB -1.045 17.262 19.000 -1.157 0.000 0.821 348 A HN 0.164 nan 8.150 nan 0.000 0.443 349 Y N -2.813 117.403 120.300 -0.140 0.000 2.820 349 Y HA 0.336 4.883 4.550 -0.004 0.000 0.261 349 Y C 1.804 177.587 175.900 -0.195 0.000 1.123 349 Y CA -0.624 57.376 58.100 -0.167 0.000 1.217 349 Y CB 0.306 38.652 38.460 -0.189 0.000 1.432 349 Y HN 0.056 nan 8.280 nan 0.000 0.461 350 I N 0.331 120.835 120.570 -0.110 0.000 3.462 350 I HA 0.050 4.218 4.170 -0.004 0.000 0.290 350 I C 2.214 178.074 176.117 -0.429 0.000 1.236 350 I CA 0.624 61.777 61.300 -0.245 0.000 1.418 350 I CB -0.596 37.235 38.000 -0.281 0.000 1.102 350 I HN 0.188 nan 8.210 nan 0.000 0.441 351 R N 1.851 122.108 120.500 -0.406 0.000 2.133 351 R HA -0.180 4.157 4.340 -0.004 0.000 0.247 351 R C -0.568 175.534 176.300 -0.329 0.000 1.151 351 R CA 1.991 57.856 56.100 -0.390 0.000 0.971 351 R CB -0.984 29.131 30.300 -0.309 0.000 0.866 351 R HN 0.186 nan 8.270 nan 0.000 0.447 352 P HA -0.163 nan 4.420 nan 0.000 0.216 352 P C 0.942 178.167 177.300 -0.127 0.000 1.150 352 P CA 1.269 64.267 63.100 -0.170 0.000 0.837 352 P CB -0.014 31.620 31.700 -0.111 0.000 0.786 353 L N -2.565 118.600 121.223 -0.097 0.000 2.027 353 L HA -0.146 4.191 4.340 -0.004 0.000 0.206 353 L C 2.327 179.234 176.870 0.061 0.000 1.074 353 L CA 1.245 56.096 54.840 0.019 0.000 0.745 353 L CB -0.986 41.158 42.059 0.143 0.000 0.898 353 L HN -0.070 nan 8.230 nan 0.000 0.433 354 F N -0.119 119.700 119.950 -0.218 0.000 2.250 354 F HA -0.213 4.312 4.527 -0.004 0.000 0.301 354 F C 2.593 178.047 175.800 -0.577 0.000 1.077 354 F CA 0.371 58.129 58.000 -0.403 0.000 1.348 354 F CB -1.498 37.196 39.000 -0.510 0.000 1.040 354 F HN 0.186 nan 8.300 nan 0.000 0.509 355 C N -0.432 118.666 119.300 -0.336 0.000 2.437 355 C HA -0.079 4.379 4.460 -0.004 0.000 0.283 355 C C 2.285 177.193 174.990 -0.136 0.000 1.424 355 C CA 0.457 59.299 59.018 -0.294 0.000 1.782 355 C CB -1.148 26.468 27.740 -0.206 0.000 1.833 355 C HN 0.313 nan 8.230 nan 0.000 0.532 356 R N 0.029 120.470 120.500 -0.098 0.000 2.427 356 R HA 0.236 4.573 4.340 -0.004 0.000 0.262 356 R C 1.510 177.767 176.300 -0.072 0.000 0.943 356 R CA 0.637 56.701 56.100 -0.061 0.000 1.081 356 R CB 0.100 30.380 30.300 -0.033 0.000 1.166 356 R HN 0.484 nan 8.270 nan 0.000 0.534 357 G N 1.057 109.796 108.800 -0.101 0.000 2.148 357 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.254 357 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.254 357 G C 0.242 175.067 174.900 -0.124 0.000 0.981 357 G CA 0.126 45.148 45.100 -0.129 0.000 0.670 357 G HN 0.149 nan 8.290 nan 0.000 0.528 358 V N 0.351 120.239 119.914 -0.042 0.000 2.583 358 V HA 0.742 4.859 4.120 -0.004 0.000 0.287 358 V C 1.028 177.058 176.094 -0.106 0.000 1.051 358 V CA 0.884 63.177 62.300 -0.012 0.000 1.010 358 V CB 1.121 33.028 31.823 0.140 0.000 0.988 358 V HN 1.357 nan 8.190 nan 0.000 0.478 359 G N 4.797 113.306 108.800 -0.484 0.000 2.428 359 G HA2 0.419 4.377 3.960 -0.004 0.000 0.304 359 G HA3 0.419 4.377 3.960 -0.004 0.000 0.304 359 G C -3.092 170.911 174.900 -1.494 0.000 1.303 359 G CA -0.532 43.872 45.100 -1.160 0.000 0.825 359 G HN 0.414 nan 8.290 nan 0.000 0.484 360 P HA 0.211 nan 4.420 nan 0.000 0.228 360 P C -0.217 176.992 177.300 -0.152 0.000 1.748 360 P CA -0.305 62.437 63.100 -0.596 0.000 0.909 360 P CB -0.609 31.031 31.700 -0.100 0.000 1.882 361 F N 3.250 123.040 119.950 -0.265 0.000 2.629 361 F HA 0.044 4.569 4.527 -0.004 0.000 0.377 361 F C 1.055 176.907 175.800 0.086 0.000 1.101 361 F CA 0.441 58.425 58.000 -0.027 0.000 1.301 361 F CB 0.533 39.552 39.000 0.032 0.000 1.062 361 F HN 0.214 nan 8.300 nan 0.000 0.583 362 R N 4.564 124.850 120.500 -0.356 0.000 2.716 362 R HA 0.647 4.984 4.340 -0.004 0.000 0.271 362 R C -2.287 173.918 176.300 -0.160 0.000 1.028 362 R CA -1.070 54.854 56.100 -0.293 0.000 0.883 362 R CB 1.298 31.482 30.300 -0.193 0.000 1.250 362 R HN 0.763 nan 8.270 nan 0.000 0.465 363 W N -0.313 120.872 121.300 -0.190 0.000 3.118 363 W HA 0.853 5.510 4.660 -0.004 0.000 0.328 363 W C -1.946 174.507 176.519 -0.110 0.000 1.239 363 W CA -0.950 56.303 57.345 -0.153 0.000 1.176 363 W CB 1.403 30.797 29.460 -0.111 0.000 1.433 363 W HN 0.861 nan 8.180 nan 0.000 0.562 364 A N 1.253 124.135 122.820 0.102 0.000 2.449 364 A HA 0.885 5.203 4.320 -0.004 0.000 0.302 364 A C -1.172 176.420 177.584 0.015 0.000 1.048 364 A CA -0.723 51.309 52.037 -0.007 0.000 0.708 364 A CB 1.284 20.285 19.000 0.002 0.000 1.274 364 A HN 1.575 nan 8.150 nan 0.000 0.410 365 A N 1.885 124.661 122.820 -0.074 0.000 2.279 365 A HA 0.540 4.858 4.320 -0.004 0.000 0.306 365 A C 0.738 178.287 177.584 -0.057 0.000 1.300 365 A CA -0.466 51.516 52.037 -0.092 0.000 0.925 365 A CB -0.418 18.479 19.000 -0.171 0.000 1.152 365 A HN 0.913 nan 8.150 nan 0.000 0.544 366 L N 2.586 123.801 121.223 -0.014 0.000 2.265 366 L HA -0.175 4.163 4.340 -0.004 0.000 0.215 366 L C 2.745 179.658 176.870 0.072 0.000 1.117 366 L CA 1.544 56.426 54.840 0.072 0.000 0.782 366 L CB -0.390 41.767 42.059 0.163 0.000 0.914 366 L HN 0.902 nan 8.230 nan 0.000 0.441 367 S N -0.217 115.481 115.700 -0.003 0.000 2.419 367 S HA -0.113 4.354 4.470 -0.004 0.000 0.235 367 S C 1.786 176.385 174.600 -0.002 0.000 1.019 367 S CA 0.974 59.181 58.200 0.010 0.000 0.982 367 S CB -0.352 62.823 63.200 -0.042 0.000 0.789 367 S HN 0.578 nan 8.310 nan 0.000 0.490 368 G N 0.443 109.216 108.800 -0.046 0.000 2.176 368 G HA2 -0.202 3.756 3.960 -0.004 0.000 0.253 368 G HA3 -0.202 3.756 3.960 -0.004 0.000 0.253 368 G C -0.228 174.602 174.900 -0.115 0.000 0.979 368 G CA 0.181 45.240 45.100 -0.068 0.000 0.641 368 G HN 0.546 nan 8.290 nan 0.000 0.530 369 E N 0.543 120.665 120.200 -0.130 0.000 2.194 369 E HA 0.573 4.921 4.350 -0.004 0.000 0.284 369 E C 1.436 177.883 176.600 -0.255 0.000 1.035 369 E CA 0.304 56.621 56.400 -0.139 0.000 0.836 369 E CB 1.179 30.820 29.700 -0.099 0.000 1.070 369 E HN 0.452 nan 8.360 nan 0.000 0.401 370 A N 4.533 127.199 122.820 -0.256 0.000 1.917 370 A HA -0.228 4.090 4.320 -0.004 0.000 0.219 370 A C 1.710 178.890 177.584 -0.672 0.000 1.182 370 A CA 1.275 53.055 52.037 -0.429 0.000 0.633 370 A CB -0.153 18.788 19.000 -0.098 0.000 0.819 370 A HN 0.485 nan 8.150 nan 0.000 0.448 371 E N 0.149 120.155 120.200 -0.325 0.000 2.204 371 E HA -0.171 4.177 4.350 -0.004 0.000 0.195 371 E C 1.336 177.864 176.600 -0.120 0.000 0.990 371 E CA 1.123 57.440 56.400 -0.139 0.000 0.821 371 E CB -0.358 29.358 29.700 0.026 0.000 0.750 371 E HN 0.573 nan 8.360 nan 0.000 0.477 372 D N 0.614 120.912 120.400 -0.170 0.000 2.097 372 D HA -0.135 4.503 4.640 -0.004 0.000 0.195 372 D C 1.927 178.142 176.300 -0.141 0.000 0.989 372 D CA 0.612 54.524 54.000 -0.147 0.000 0.827 372 D CB -0.074 40.628 40.800 -0.162 0.000 0.966 372 D HN 0.136 nan 8.370 nan 0.000 0.456 373 I N 0.493 120.937 120.570 -0.209 0.000 2.252 373 I HA -0.248 3.919 4.170 -0.004 0.000 0.245 373 I C 2.200 178.397 176.117 0.133 0.000 1.102 373 I CA 1.022 62.285 61.300 -0.061 0.000 1.385 373 I CB -1.224 36.674 38.000 -0.170 0.000 1.064 373 I HN 0.061 nan 8.210 nan 0.000 0.414 374 Y N 1.621 121.989 120.300 0.114 0.000 2.207 374 Y HA -0.205 4.342 4.550 -0.004 0.000 0.287 374 Y C 2.553 178.486 175.900 0.054 0.000 1.156 374 Y CA 0.814 58.968 58.100 0.091 0.000 1.182 374 Y CB -1.245 37.259 38.460 0.074 0.000 0.979 374 Y HN 0.218 nan 8.280 nan 0.000 0.521 375 K N -0.368 120.126 120.400 0.157 0.000 2.057 375 K HA -0.135 4.183 4.320 -0.004 0.000 0.206 375 K C 2.177 178.803 176.600 0.044 0.000 1.050 375 K CA 1.924 58.256 56.287 0.076 0.000 0.935 375 K CB -0.462 32.050 32.500 0.019 0.000 0.715 375 K HN 0.484 nan 8.250 nan 0.000 0.439 376 T N -0.019 114.522 114.554 -0.021 0.000 2.746 376 T HA -0.168 4.179 4.350 -0.004 0.000 0.267 376 T C 1.450 176.256 174.700 0.178 0.000 1.039 376 T CA 1.464 63.492 62.100 -0.120 0.000 1.142 376 T CB -0.334 68.195 68.868 -0.565 0.000 0.866 376 T HN 0.032 nan 8.240 nan 0.000 0.444 377 D N 2.194 122.751 120.400 0.261 0.000 2.104 377 D HA -0.024 4.614 4.640 -0.004 0.000 0.194 377 D C 2.513 178.906 176.300 0.155 0.000 0.994 377 D CA 1.606 55.767 54.000 0.268 0.000 0.830 377 D CB -0.703 40.226 40.800 0.215 0.000 0.959 377 D HN 0.590 nan 8.370 nan 0.000 0.452 378 A N 0.718 123.608 122.820 0.117 0.000 1.933 378 A HA -0.191 4.127 4.320 -0.004 0.000 0.218 378 A C 2.082 179.712 177.584 0.077 0.000 1.175 378 A CA 1.856 53.934 52.037 0.068 0.000 0.628 378 A CB -0.339 18.698 19.000 0.062 0.000 0.814 378 A HN 0.097 nan 8.150 nan 0.000 0.444 379 K N -0.022 120.448 120.400 0.117 0.000 2.057 379 K HA -0.039 4.278 4.320 -0.004 0.000 0.206 379 K C 1.640 178.322 176.600 0.138 0.000 1.050 379 K CA 1.764 58.132 56.287 0.135 0.000 0.935 379 K CB -0.679 31.941 32.500 0.200 0.000 0.715 379 K HN 0.175 nan 8.250 nan 0.000 0.439 380 V N 1.377 121.405 119.914 0.191 0.000 2.343 380 V HA -0.257 3.861 4.120 -0.004 0.000 0.247 380 V C 2.147 178.287 176.094 0.076 0.000 1.051 380 V CA 2.068 64.467 62.300 0.165 0.000 1.036 380 V CB -0.434 31.568 31.823 0.299 0.000 0.654 380 V HN 0.351 nan 8.190 nan 0.000 0.451 381 K N -0.292 120.095 120.400 -0.021 0.000 2.097 381 K HA -0.232 4.086 4.320 -0.004 0.000 0.206 381 K C 2.249 178.883 176.600 0.056 0.000 1.049 381 K CA 1.640 57.801 56.287 -0.209 0.000 0.933 381 K CB -0.165 32.105 32.500 -0.383 0.000 0.717 381 K HN 0.557 nan 8.250 nan 0.000 0.442 382 E N 1.007 121.245 120.200 0.064 0.000 2.072 382 E HA -0.153 4.194 4.350 -0.004 0.000 0.191 382 E C 1.776 178.425 176.600 0.081 0.000 0.985 382 E CA 0.821 57.269 56.400 0.081 0.000 0.801 382 E CB 0.119 29.855 29.700 0.061 0.000 0.750 382 E HN 0.252 nan 8.360 nan 0.000 0.452 383 L N 0.622 121.886 121.223 0.068 0.000 2.418 383 L HA 0.046 4.384 4.340 -0.004 0.000 0.218 383 L C 0.640 177.550 176.870 0.067 0.000 1.125 383 L CA 0.070 54.936 54.840 0.044 0.000 0.835 383 L CB 0.375 42.434 42.059 0.000 0.000 0.953 383 L HN 0.155 nan 8.230 nan 0.000 0.454 384 I N 0.460 121.104 120.570 0.123 0.000 2.925 384 I HA 0.186 4.354 4.170 -0.004 0.000 0.296 384 I C -1.747 174.536 176.117 0.276 0.000 1.413 384 I CA -1.621 59.776 61.300 0.162 0.000 0.932 384 I CB 0.226 38.333 38.000 0.178 0.000 1.873 384 I HN -0.112 nan 8.210 nan 0.000 0.619 385 P HA -0.039 nan 4.420 nan 0.000 0.223 385 P C 0.299 177.607 177.300 0.013 0.000 1.151 385 P CA 1.247 64.460 63.100 0.187 0.000 0.787 385 P CB 0.561 32.322 31.700 0.101 0.000 0.788 386 D N -0.431 119.980 120.400 0.019 0.000 2.593 386 D HA 0.079 4.717 4.640 -0.004 0.000 0.241 386 D C -0.231 176.058 176.300 -0.018 0.000 1.257 386 D CA 0.163 54.144 54.000 -0.033 0.000 0.828 386 D CB 0.142 40.941 40.800 -0.001 0.000 1.049 386 D HN 0.085 nan 8.370 nan 0.000 0.490 387 D N 0.629 121.027 120.400 -0.003 0.000 2.438 387 D HA 0.311 4.948 4.640 -0.004 0.000 0.257 387 D C 1.058 177.400 176.300 0.070 0.000 1.148 387 D CA -0.621 53.427 54.000 0.080 0.000 0.902 387 D CB 1.124 42.027 40.800 0.172 0.000 1.062 387 D HN -0.040 nan 8.370 nan 0.000 0.518 388 A N 3.055 125.884 122.820 0.015 0.000 1.972 388 A HA -0.222 4.096 4.320 -0.004 0.000 0.219 388 A C 1.864 179.554 177.584 0.176 0.000 1.169 388 A CA 1.600 53.655 52.037 0.029 0.000 0.635 388 A CB -0.648 18.364 19.000 0.021 0.000 0.810 388 A HN 0.740 nan 8.150 nan 0.000 0.446 389 H N -0.867 118.279 119.070 0.126 0.000 2.387 389 H HA -0.078 4.475 4.556 -0.004 0.000 0.299 389 H C 1.752 177.238 175.328 0.263 0.000 1.090 389 H CA 1.725 57.880 56.048 0.178 0.000 1.332 389 H CB -0.085 29.764 29.762 0.145 0.000 1.386 389 H HN 0.318 nan 8.280 nan 0.000 0.516 390 L N 0.116 121.521 121.223 0.304 0.000 2.072 390 L HA -0.121 4.216 4.340 -0.004 0.000 0.205 390 L C 1.941 179.008 176.870 0.328 0.000 1.079 390 L CA 1.859 56.893 54.840 0.323 0.000 0.752 390 L CB -1.203 41.066 42.059 0.350 0.000 0.906 390 L HN 0.474 nan 8.230 nan 0.000 0.436 391 H N -0.750 118.404 119.070 0.140 0.000 2.387 391 H HA -0.084 4.470 4.556 -0.004 0.000 0.299 391 H C 2.066 177.417 175.328 0.038 0.000 1.099 391 H CA 1.062 57.166 56.048 0.094 0.000 1.315 391 H CB 0.387 30.193 29.762 0.074 0.000 1.380 391 H HN 0.250 nan 8.280 nan 0.000 0.513 392 R N 0.481 121.076 120.500 0.158 0.000 2.092 392 R HA -0.150 4.187 4.340 -0.004 0.000 0.231 392 R C 2.220 178.477 176.300 -0.072 0.000 1.119 392 R CA 0.511 56.629 56.100 0.031 0.000 0.970 392 R CB -0.844 29.481 30.300 0.042 0.000 0.864 392 R HN 0.589 nan 8.270 nan 0.000 0.440 393 W N 1.605 122.809 121.300 -0.161 0.000 2.335 393 W HA -0.190 4.468 4.660 -0.004 0.000 0.311 393 W C 1.457 177.897 176.519 -0.133 0.000 1.213 393 W CA 1.213 58.428 57.345 -0.218 0.000 1.274 393 W CB -0.300 29.057 29.460 -0.171 0.000 1.148 393 W HN 0.035 nan 8.180 nan 0.000 0.498 394 L N 0.470 121.584 121.223 -0.182 0.000 2.156 394 L HA -0.198 4.139 4.340 -0.004 0.000 0.208 394 L C 2.229 178.931 176.870 -0.281 0.000 1.095 394 L CA 1.279 55.996 54.840 -0.206 0.000 0.770 394 L CB -0.906 41.162 42.059 0.015 0.000 0.914 394 L HN -0.165 nan 8.230 nan 0.000 0.439 395 D N 0.036 120.297 120.400 -0.231 0.000 2.097 395 D HA -0.170 4.467 4.640 -0.004 0.000 0.197 395 D C 2.340 178.441 176.300 -0.332 0.000 0.984 395 D CA 1.362 55.229 54.000 -0.221 0.000 0.826 395 D CB -0.068 40.651 40.800 -0.135 0.000 0.973 395 D HN 0.266 nan 8.370 nan 0.000 0.460 396 M N 0.350 119.676 119.600 -0.457 0.000 2.175 396 M HA -0.090 4.387 4.480 -0.004 0.000 0.264 396 M C 2.257 178.161 176.300 -0.661 0.000 1.063 396 M CA 1.114 56.083 55.300 -0.551 0.000 1.119 396 M CB -0.120 32.088 32.600 -0.653 0.000 1.377 396 M HN -0.030 nan 8.290 nan 0.000 0.415 397 A N 0.354 122.664 122.820 -0.850 0.000 1.873 397 A HA -0.186 4.132 4.320 -0.004 0.000 0.215 397 A C 2.103 179.431 177.584 -0.426 0.000 1.186 397 A CA 1.810 53.434 52.037 -0.689 0.000 0.616 397 A CB -0.580 18.020 19.000 -0.665 0.000 0.823 397 A HN 0.352 nan 8.150 nan 0.000 0.442 398 R N 0.398 120.687 120.500 -0.351 0.000 2.105 398 R HA -0.131 4.207 4.340 -0.004 0.000 0.239 398 R C 1.775 177.883 176.300 -0.320 0.000 1.135 398 R CA 2.248 58.167 56.100 -0.302 0.000 0.967 398 R CB -0.485 29.646 30.300 -0.281 0.000 0.861 398 R HN 0.695 nan 8.270 nan 0.000 0.442 399 E N -1.075 118.937 120.200 -0.313 0.000 2.230 399 E HA 0.036 4.383 4.350 -0.004 0.000 0.192 399 E C 1.467 177.902 176.600 -0.276 0.000 0.987 399 E CA 0.689 56.927 56.400 -0.269 0.000 0.841 399 E CB 0.273 29.829 29.700 -0.239 0.000 0.783 399 E HN 0.231 nan 8.360 nan 0.000 0.481 400 R N -0.352 119.950 120.500 -0.329 0.000 2.544 400 R HA 0.299 4.636 4.340 -0.004 0.000 0.303 400 R C -0.035 176.032 176.300 -0.388 0.000 0.939 400 R CA -0.041 55.861 56.100 -0.329 0.000 1.102 400 R CB 1.151 31.262 30.300 -0.314 0.000 1.440 400 R HN 0.018 nan 8.270 nan 0.000 0.532 401 I N 1.870 122.204 120.570 -0.394 0.000 2.330 401 I HA 0.194 4.361 4.170 -0.004 0.000 0.286 401 I C -0.245 175.652 176.117 -0.366 0.000 1.025 401 I CA -0.245 60.831 61.300 -0.373 0.000 1.197 401 I CB 1.841 39.678 38.000 -0.271 0.000 1.358 401 I HN -0.105 nan 8.210 nan 0.000 0.467 402 S N 5.852 121.379 115.700 -0.288 0.000 2.545 402 S HA 0.441 4.909 4.470 -0.004 0.000 0.275 402 S C -0.106 174.446 174.600 -0.080 0.000 1.299 402 S CA -0.560 57.500 58.200 -0.233 0.000 1.048 402 S CB 0.450 63.585 63.200 -0.109 0.000 0.938 402 S HN 0.194 nan 8.310 nan 0.000 0.496 403 F N 2.138 122.104 119.950 0.026 0.000 2.553 403 F HA 0.170 4.695 4.527 -0.004 0.000 0.356 403 F C 1.165 176.994 175.800 0.049 0.000 1.142 403 F CA -0.184 57.828 58.000 0.020 0.000 1.322 403 F CB 0.135 39.130 39.000 -0.008 0.000 1.126 403 F HN 0.454 nan 8.300 nan 0.000 0.599 404 Q N 1.048 121.002 119.800 0.258 0.000 2.310 404 Q HA 0.529 4.867 4.340 -0.004 0.000 0.270 404 Q C 0.502 176.580 176.000 0.130 0.000 1.025 404 Q CA -0.287 55.623 55.803 0.179 0.000 0.772 404 Q CB 2.094 30.917 28.738 0.142 0.000 1.253 404 Q HN 0.947 nan 8.270 nan 0.000 0.450 405 G N 1.834 110.707 108.800 0.122 0.000 2.566 405 G HA2 -0.318 3.640 3.960 -0.004 0.000 0.280 405 G HA3 -0.318 3.640 3.960 -0.004 0.000 0.280 405 G C -0.279 174.639 174.900 0.029 0.000 1.225 405 G CA -0.683 44.467 45.100 0.085 0.000 0.966 405 G HN 0.568 nan 8.290 nan 0.000 0.560 406 L N 2.279 123.503 121.223 0.002 0.000 2.601 406 L HA 0.170 4.508 4.340 -0.004 0.000 0.277 406 L C -1.616 175.133 176.870 -0.201 0.000 1.219 406 L CA -0.972 53.824 54.840 -0.073 0.000 0.915 406 L CB 0.104 42.147 42.059 -0.027 0.000 1.160 406 L HN 0.276 nan 8.230 nan 0.000 0.494 407 P HA 0.054 nan 4.420 nan 0.000 0.262 407 P C -0.701 176.220 177.300 -0.632 0.000 1.182 407 P CA 0.351 62.842 63.100 -1.014 0.000 0.761 407 P CB 0.767 31.680 31.700 -1.312 0.000 0.795 408 A N 2.960 125.472 122.820 -0.513 0.000 2.594 408 A HA 0.844 5.162 4.320 -0.004 0.000 0.291 408 A C -1.091 176.360 177.584 -0.223 0.000 1.105 408 A CA -0.589 51.274 52.037 -0.290 0.000 0.694 408 A CB 1.785 20.683 19.000 -0.171 0.000 1.291 408 A HN 0.401 nan 8.150 nan 0.000 0.410 409 R N 0.262 120.447 120.500 -0.525 0.000 2.574 409 R HA 0.656 4.994 4.340 -0.004 0.000 0.288 409 R C -1.735 174.208 176.300 -0.595 0.000 1.004 409 R CA -0.551 55.215 56.100 -0.557 0.000 0.895 409 R CB 1.153 30.920 30.300 -0.887 0.000 1.191 409 R HN 0.804 nan 8.270 nan 0.000 0.444 410 I N 3.735 124.207 120.570 -0.163 0.000 2.365 410 I HA 0.470 4.637 4.170 -0.004 0.000 0.291 410 I C -1.135 175.077 176.117 0.157 0.000 1.004 410 I CA -0.344 60.959 61.300 0.005 0.000 1.311 410 I CB 1.170 39.273 38.000 0.172 0.000 1.401 410 I HN 0.704 nan 8.210 nan 0.000 0.491 411 C N 8.332 127.752 119.300 0.200 0.000 2.982 411 C HA 0.345 4.802 4.460 -0.004 0.000 0.372 411 C C -1.416 173.872 174.990 0.496 0.000 1.061 411 C CA -0.693 58.555 59.018 0.383 0.000 1.309 411 C CB -0.595 27.459 27.740 0.523 0.000 1.766 411 C HN 0.759 nan 8.230 nan 0.000 0.504 412 W N 5.606 126.942 121.300 0.061 0.000 2.446 412 W HA 0.498 5.156 4.660 -0.004 0.000 0.316 412 W C 0.432 177.025 176.519 0.124 0.000 1.376 412 W CA 0.267 57.667 57.345 0.093 0.000 1.300 412 W CB 0.820 30.273 29.460 -0.012 0.000 1.351 412 W HN 0.693 nan 8.180 nan 0.000 0.530 413 V N 2.053 122.080 119.914 0.189 0.000 3.188 413 V HA 1.037 5.154 4.120 -0.004 0.000 0.305 413 V C -0.145 175.869 176.094 -0.134 0.000 1.232 413 V CA -0.871 61.452 62.300 0.037 0.000 1.043 413 V CB 1.384 33.201 31.823 -0.011 0.000 1.068 413 V HN 0.557 nan 8.190 nan 0.000 0.439 414 G N 0.289 109.012 108.800 -0.128 0.000 3.212 414 G HA2 0.586 4.544 3.960 -0.004 0.000 0.188 414 G HA3 0.586 4.544 3.960 -0.004 0.000 0.188 414 G C -0.803 173.989 174.900 -0.180 0.000 1.254 414 G CA -1.163 43.847 45.100 -0.149 0.000 0.957 414 G HN 0.983 nan 8.290 nan 0.000 0.596 415 L N 0.983 122.127 121.223 -0.133 0.000 2.462 415 L HA 0.384 4.721 4.340 -0.004 0.000 0.272 415 L C 1.404 178.211 176.870 -0.105 0.000 1.166 415 L CA 1.736 56.503 54.840 -0.121 0.000 0.880 415 L CB 0.408 42.415 42.059 -0.086 0.000 1.142 415 L HN 1.161 nan 8.230 nan 0.000 0.473 416 G N 3.401 112.131 108.800 -0.116 0.000 3.047 416 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.203 416 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.203 416 G C 0.727 175.551 174.900 -0.127 0.000 1.444 416 G CA 0.250 45.291 45.100 -0.099 0.000 1.020 416 G HN 0.521 nan 8.290 nan 0.000 0.563 417 L N 1.028 122.165 121.223 -0.143 0.000 2.201 417 L HA 0.100 4.438 4.340 -0.004 0.000 0.212 417 L C 3.110 179.815 176.870 -0.275 0.000 1.105 417 L CA 1.374 56.116 54.840 -0.163 0.000 0.775 417 L CB -0.386 41.607 42.059 -0.110 0.000 0.913 417 L HN 0.300 nan 8.230 nan 0.000 0.440 418 R N 0.043 120.302 120.500 -0.403 0.000 2.073 418 R HA -0.157 4.181 4.340 -0.004 0.000 0.234 418 R C 2.423 178.540 176.300 -0.305 0.000 1.134 418 R CA 1.512 57.230 56.100 -0.637 0.000 0.952 418 R CB -0.445 29.390 30.300 -0.774 0.000 0.850 418 R HN 0.335 nan 8.270 nan 0.000 0.433 419 A N 1.305 124.000 122.820 -0.209 0.000 1.930 419 A HA -0.181 4.136 4.320 -0.004 0.000 0.217 419 A C 2.060 179.550 177.584 -0.157 0.000 1.175 419 A CA 1.360 53.315 52.037 -0.136 0.000 0.627 419 A CB -0.318 18.621 19.000 -0.101 0.000 0.815 419 A HN 0.237 nan 8.150 nan 0.000 0.443 420 K N -0.716 119.582 120.400 -0.170 0.000 2.026 420 K HA -0.143 4.175 4.320 -0.004 0.000 0.208 420 K C 1.759 178.204 176.600 -0.259 0.000 1.048 420 K CA 1.464 57.651 56.287 -0.167 0.000 0.929 420 K CB -0.289 32.132 32.500 -0.132 0.000 0.713 420 K HN 0.274 nan 8.250 nan 0.000 0.439 421 L N 0.668 121.679 121.223 -0.353 0.000 2.017 421 L HA -0.085 4.253 4.340 -0.004 0.000 0.208 421 L C 2.505 178.815 176.870 -0.933 0.000 1.073 421 L CA 2.238 56.656 54.840 -0.703 0.000 0.745 421 L CB -1.169 40.524 42.059 -0.610 0.000 0.894 421 L HN 0.420 nan 8.230 nan 0.000 0.432 422 G N -1.129 107.388 108.800 -0.471 0.000 2.402 422 G HA2 -0.192 3.766 3.960 -0.004 0.000 0.216 422 G HA3 -0.192 3.766 3.960 -0.004 0.000 0.216 422 G C 1.674 176.450 174.900 -0.206 0.000 1.162 422 G CA 0.703 45.628 45.100 -0.293 0.000 0.777 422 G HN 0.332 nan 8.290 nan 0.000 0.539 423 L N 0.641 121.758 121.223 -0.177 0.000 2.093 423 L HA -0.017 4.321 4.340 -0.004 0.000 0.208 423 L C 3.379 180.190 176.870 -0.098 0.000 1.085 423 L CA 0.933 55.711 54.840 -0.105 0.000 0.755 423 L CB -0.345 41.663 42.059 -0.085 0.000 0.904 423 L HN 0.298 nan 8.230 nan 0.000 0.435 424 A N -0.063 122.657 122.820 -0.166 0.000 1.898 424 A HA -0.184 4.134 4.320 -0.004 0.000 0.216 424 A C 2.021 179.634 177.584 0.049 0.000 1.181 424 A CA 1.352 53.335 52.037 -0.090 0.000 0.620 424 A CB -0.619 18.303 19.000 -0.129 0.000 0.819 424 A HN 0.284 nan 8.150 nan 0.000 0.442 425 F N 0.312 120.177 119.950 -0.141 0.000 2.146 425 F HA -0.111 4.414 4.527 -0.004 0.000 0.298 425 F C 2.154 177.880 175.800 -0.122 0.000 1.096 425 F CA 0.992 58.890 58.000 -0.169 0.000 1.275 425 F CB -1.431 37.410 39.000 -0.265 0.000 1.008 425 F HN 0.313 nan 8.300 nan 0.000 0.480 426 N N 0.529 119.277 118.700 0.080 0.000 2.120 426 N HA -0.211 4.527 4.740 -0.004 0.000 0.188 426 N C 1.978 177.491 175.510 0.006 0.000 1.024 426 N CA 1.372 54.434 53.050 0.020 0.000 0.852 426 N CB -0.307 38.181 38.487 0.002 0.000 1.003 426 N HN 0.342 nan 8.380 nan 0.000 0.424 427 E N 0.394 120.600 120.200 0.010 0.000 2.085 427 E HA -0.231 4.117 4.350 -0.004 0.000 0.194 427 E C 1.721 178.325 176.600 0.006 0.000 0.994 427 E CA 1.230 57.633 56.400 0.005 0.000 0.801 427 E CB -0.246 29.456 29.700 0.003 0.000 0.743 427 E HN 0.493 nan 8.360 nan 0.000 0.453 428 M N 0.349 119.960 119.600 0.020 0.000 2.229 428 M HA -0.118 4.360 4.480 -0.004 0.000 0.264 428 M C 2.384 178.666 176.300 -0.031 0.000 1.063 428 M CA 0.900 56.201 55.300 0.002 0.000 1.114 428 M CB 0.025 32.632 32.600 0.011 0.000 1.387 428 M HN -0.016 nan 8.290 nan 0.000 0.420 429 V N 0.112 119.999 119.914 -0.044 0.000 2.358 429 V HA -0.245 3.873 4.120 -0.004 0.000 0.246 429 V C 2.385 178.442 176.094 -0.063 0.000 1.047 429 V CA 1.838 64.088 62.300 -0.083 0.000 1.035 429 V CB -0.806 30.946 31.823 -0.118 0.000 0.658 429 V HN 0.478 nan 8.190 nan 0.000 0.452 430 R N 0.908 121.385 120.500 -0.038 0.000 2.091 430 R HA -0.180 4.158 4.340 -0.004 0.000 0.238 430 R C 2.455 178.746 176.300 -0.016 0.000 1.136 430 R CA 2.007 58.094 56.100 -0.023 0.000 0.959 430 R CB -0.320 29.974 30.300 -0.011 0.000 0.856 430 R HN 0.651 nan 8.270 nan 0.000 0.437 431 S N -1.461 114.231 115.700 -0.014 0.000 2.489 431 S HA 0.085 4.553 4.470 -0.004 0.000 0.228 431 S C 1.397 175.991 174.600 -0.010 0.000 0.995 431 S CA 0.742 58.937 58.200 -0.007 0.000 0.934 431 S CB 0.362 63.561 63.200 -0.003 0.000 0.771 431 S HN 0.640 nan 8.310 nan 0.000 0.522 432 G N 1.191 109.978 108.800 -0.021 0.000 2.176 432 G HA2 -0.356 3.602 3.960 -0.004 0.000 0.253 432 G HA3 -0.356 3.602 3.960 -0.004 0.000 0.253 432 G C 0.578 175.464 174.900 -0.023 0.000 0.979 432 G CA 0.648 45.734 45.100 -0.023 0.000 0.641 432 G HN 0.618 nan 8.290 nan 0.000 0.530 433 E N -0.204 119.983 120.200 -0.021 0.000 2.058 433 E HA 0.013 4.360 4.350 -0.004 0.000 0.194 433 E C 1.252 177.830 176.600 -0.036 0.000 0.997 433 E CA 0.638 57.027 56.400 -0.018 0.000 0.801 433 E CB -0.105 29.590 29.700 -0.009 0.000 0.746 433 E HN 0.608 nan 8.360 nan 0.000 0.450 434 L N 1.416 122.604 121.223 -0.059 0.000 2.350 434 L HA 0.096 4.433 4.340 -0.004 0.000 0.275 434 L C 1.560 178.377 176.870 -0.088 0.000 1.099 434 L CA -0.054 54.733 54.840 -0.088 0.000 0.808 434 L CB 1.528 43.512 42.059 -0.126 0.000 1.149 434 L HN 0.159 nan 8.230 nan 0.000 0.442 435 S N 1.380 117.029 115.700 -0.085 0.000 2.453 435 S HA 0.198 4.666 4.470 -0.004 0.000 0.231 435 S C 0.572 175.114 174.600 -0.097 0.000 1.005 435 S CA 0.355 58.515 58.200 -0.066 0.000 0.949 435 S CB 0.111 63.285 63.200 -0.043 0.000 0.774 435 S HN 0.751 nan 8.310 nan 0.000 0.510 436 A N 0.561 123.277 122.820 -0.174 0.000 2.599 436 A HA 0.758 5.076 4.320 -0.004 0.000 0.290 436 A C -3.243 174.075 177.584 -0.443 0.000 1.101 436 A CA -1.802 50.032 52.037 -0.338 0.000 0.674 436 A CB 0.132 18.973 19.000 -0.264 0.000 1.277 436 A HN 0.178 nan 8.150 nan 0.000 0.419 437 P HA 0.314 nan 4.420 nan 0.000 0.269 437 P C -0.308 176.823 177.300 -0.282 0.000 1.217 437 P CA 0.079 62.864 63.100 -0.526 0.000 0.783 437 P CB 0.478 31.736 31.700 -0.736 0.000 0.898 438 V N -0.319 119.507 119.914 -0.147 0.000 2.919 438 V HA 0.778 4.896 4.120 -0.004 0.000 0.316 438 V C -0.264 175.847 176.094 0.028 0.000 1.077 438 V CA -1.101 61.170 62.300 -0.048 0.000 0.977 438 V CB 1.917 33.703 31.823 -0.063 0.000 1.039 438 V HN 0.385 nan 8.190 nan 0.000 0.441 439 V N 0.971 120.933 119.914 0.081 0.000 2.513 439 V HA 0.718 4.835 4.120 -0.004 0.000 0.299 439 V C -0.520 175.616 176.094 0.070 0.000 1.035 439 V CA -0.607 61.740 62.300 0.078 0.000 0.889 439 V CB 1.488 33.389 31.823 0.129 0.000 0.988 439 V HN 0.794 nan 8.190 nan 0.000 0.440 440 I N 3.964 124.534 120.570 0.001 0.000 2.404 440 I HA 0.909 5.077 4.170 -0.004 0.000 0.293 440 I C 0.686 176.725 176.117 -0.129 0.000 0.992 440 I CA 0.238 61.514 61.300 -0.040 0.000 1.149 440 I CB 1.075 39.064 38.000 -0.018 0.000 1.315 440 I HN 1.048 nan 8.210 nan 0.000 0.446 441 G N 6.051 114.753 108.800 -0.164 0.000 2.896 441 G HA2 0.830 4.787 3.960 -0.004 0.000 0.247 441 G HA3 0.830 4.787 3.960 -0.004 0.000 0.247 441 G C -1.093 173.749 174.900 -0.098 0.000 1.187 441 G CA -0.632 44.385 45.100 -0.138 0.000 0.837 441 G HN 0.681 nan 8.290 nan 0.000 0.559 442 R N -0.864 119.611 120.500 -0.043 0.000 2.828 442 R HA 0.423 4.761 4.340 -0.004 0.000 0.280 442 R C -1.903 174.424 176.300 0.046 0.000 1.020 442 R CA -0.817 55.279 56.100 -0.007 0.000 0.855 442 R CB 0.615 30.921 30.300 0.010 0.000 1.278 442 R HN 0.468 nan 8.270 nan 0.000 0.495 443 D N -0.056 120.372 120.400 0.047 0.000 2.362 443 D HA 0.048 4.686 4.640 -0.004 0.000 0.238 443 D C 0.580 176.980 176.300 0.167 0.000 1.212 443 D CA 0.085 54.147 54.000 0.103 0.000 0.902 443 D CB 0.549 41.391 40.800 0.070 0.000 1.180 443 D HN 0.637 nan 8.370 nan 0.000 0.445 444 H N 0.326 119.376 119.070 -0.034 0.000 2.529 444 H HA 0.038 4.592 4.556 -0.004 0.000 0.277 444 H C 0.602 175.887 175.328 -0.073 0.000 0.999 444 H CA -0.336 55.683 56.048 -0.047 0.000 1.256 444 H CB 0.365 30.116 29.762 -0.019 0.000 1.402 444 H HN 0.152 nan 8.280 nan 0.000 0.566 445 L N 2.634 123.898 121.223 0.068 0.000 2.515 445 L HA 0.071 4.409 4.340 -0.004 0.000 0.281 445 L C -0.808 176.018 176.870 -0.072 0.000 1.131 445 L CA 0.238 55.111 54.840 0.056 0.000 0.905 445 L CB 0.035 42.198 42.059 0.174 0.000 1.246 445 L HN 0.132 nan 8.230 nan 0.000 0.463 446 D N 0.794 121.008 120.400 -0.310 0.000 2.725 446 D HA 0.169 4.807 4.640 -0.004 0.000 0.292 446 D C 0.653 176.424 176.300 -0.881 0.000 1.288 446 D CA 0.262 53.905 54.000 -0.596 0.000 0.784 446 D CB 1.354 41.965 40.800 -0.315 0.000 1.308 446 D HN 0.342 nan 8.370 nan 0.000 0.429 447 S N -0.544 114.621 115.700 -0.891 0.000 2.383 447 S HA 0.052 4.520 4.470 -0.004 0.000 0.227 447 S C 1.639 176.077 174.600 -0.271 0.000 1.026 447 S CA 1.215 58.983 58.200 -0.721 0.000 0.981 447 S CB -0.162 62.770 63.200 -0.446 0.000 0.818 447 S HN 0.514 nan 8.310 nan 0.000 0.472 448 G N 0.461 109.129 108.800 -0.218 0.000 3.324 448 G HA2 0.333 4.290 3.960 -0.004 0.000 0.251 448 G HA3 0.333 4.290 3.960 -0.004 0.000 0.251 448 G C 0.806 175.676 174.900 -0.049 0.000 1.072 448 G CA 0.295 45.332 45.100 -0.105 0.000 0.787 448 G HN 0.684 nan 8.290 nan 0.000 0.537 449 S N -1.085 114.565 115.700 -0.083 0.000 2.650 449 S HA 0.519 4.987 4.470 -0.004 0.000 0.240 449 S C -0.223 174.404 174.600 0.046 0.000 1.007 449 S CA -0.362 57.816 58.200 -0.036 0.000 0.984 449 S CB 1.027 64.169 63.200 -0.096 0.000 0.910 449 S HN 0.431 nan 8.310 nan 0.000 0.509 450 V N 0.849 120.797 119.914 0.056 0.000 2.924 450 V HA 0.666 4.783 4.120 -0.004 0.000 0.300 450 V C -1.786 174.386 176.094 0.129 0.000 1.227 450 V CA -0.246 62.136 62.300 0.137 0.000 0.954 450 V CB 2.147 34.040 31.823 0.118 0.000 1.055 450 V HN 0.325 nan 8.190 nan 0.000 0.429 451 S N 3.951 119.757 115.700 0.178 0.000 2.519 451 S HA 0.768 5.236 4.470 -0.004 0.000 0.309 451 S C -0.547 174.164 174.600 0.186 0.000 1.100 451 S CA -0.461 57.838 58.200 0.165 0.000 1.059 451 S CB 1.541 64.847 63.200 0.176 0.000 1.008 451 S HN 1.006 nan 8.310 nan 0.000 0.478 452 S N 3.246 119.045 115.700 0.165 0.000 2.417 452 S HA 0.360 4.828 4.470 -0.004 0.000 0.189 452 S C -2.635 172.063 174.600 0.163 0.000 1.005 452 S CA -0.902 57.411 58.200 0.189 0.000 1.116 452 S CB 0.599 63.912 63.200 0.188 0.000 1.343 452 S HN 0.293 nan 8.310 nan 0.000 0.406 453 P HA 0.037 nan 4.420 nan 0.000 0.225 453 P C 0.561 177.944 177.300 0.138 0.000 1.148 453 P CA 0.822 63.998 63.100 0.127 0.000 0.779 453 P CB 0.078 31.844 31.700 0.110 0.000 0.780 454 N N -1.628 117.189 118.700 0.195 0.000 2.235 454 N HA 0.123 4.860 4.740 -0.004 0.000 0.209 454 N C 0.989 176.608 175.510 0.182 0.000 1.122 454 N CA 0.125 53.310 53.050 0.225 0.000 0.845 454 N CB 0.593 39.226 38.487 0.243 0.000 1.004 454 N HN 0.164 nan 8.380 nan 0.000 0.499 455 R N 0.001 120.585 120.500 0.140 0.000 3.040 455 R HA 0.161 4.499 4.340 -0.004 0.000 0.097 455 R C 0.329 176.638 176.300 0.015 0.000 0.899 455 R CA -0.078 56.078 56.100 0.094 0.000 0.710 455 R CB 0.029 30.416 30.300 0.145 0.000 0.643 455 R HN -0.220 nan 8.270 nan 0.000 0.353 456 E N 0.425 120.663 120.200 0.062 0.000 2.153 456 E HA -0.098 4.250 4.350 -0.004 0.000 0.194 456 E C 0.758 177.424 176.600 0.110 0.000 0.988 456 E CA 1.951 58.413 56.400 0.103 0.000 0.811 456 E CB 0.086 29.903 29.700 0.195 0.000 0.746 456 E HN 0.549 nan 8.360 nan 0.000 0.466 457 T N -1.972 112.636 114.554 0.090 0.000 3.248 457 T HA 0.178 4.526 4.350 -0.004 0.000 0.271 457 T C 0.165 174.903 174.700 0.063 0.000 1.005 457 T CA -0.506 61.636 62.100 0.071 0.000 0.902 457 T CB -0.047 68.858 68.868 0.061 0.000 1.102 457 T HN -0.021 nan 8.240 nan 0.000 0.548 458 E N 1.556 121.788 120.200 0.054 0.000 2.376 458 E HA 0.388 4.736 4.350 -0.004 0.000 0.266 458 E C 0.623 177.247 176.600 0.040 0.000 1.009 458 E CA 0.303 56.733 56.400 0.050 0.000 0.902 458 E CB 0.126 29.860 29.700 0.058 0.000 0.972 458 E HN 0.582 nan 8.360 nan 0.000 0.439 459 A N 4.940 127.781 122.820 0.035 0.000 2.739 459 A HA -0.174 4.144 4.320 -0.004 0.000 0.296 459 A C 0.165 177.794 177.584 0.075 0.000 1.488 459 A CA 0.595 52.654 52.037 0.037 0.000 0.746 459 A CB -1.418 17.600 19.000 0.031 0.000 1.047 459 A HN 0.548 nan 8.150 nan 0.000 0.477 460 M N 0.065 119.715 119.600 0.083 0.000 2.248 460 M HA 0.071 4.549 4.480 -0.004 0.000 0.345 460 M C 1.848 178.196 176.300 0.080 0.000 1.243 460 M CA 0.645 56.028 55.300 0.138 0.000 1.090 460 M CB 0.111 32.764 32.600 0.089 0.000 1.683 460 M HN 0.670 nan 8.290 nan 0.000 0.450 461 R N 1.745 122.281 120.500 0.061 0.000 2.200 461 R HA -0.155 4.182 4.340 -0.004 0.000 0.234 461 R C 0.521 176.763 176.300 -0.097 0.000 1.127 461 R CA 1.811 57.861 56.100 -0.084 0.000 0.989 461 R CB -0.416 29.686 30.300 -0.331 0.000 0.869 461 R HN 0.668 nan 8.270 nan 0.000 0.459 462 D N -0.616 119.732 120.400 -0.086 0.000 2.349 462 D HA 0.094 4.732 4.640 -0.004 0.000 0.214 462 D C 1.018 177.307 176.300 -0.018 0.000 1.063 462 D CA 0.404 54.370 54.000 -0.058 0.000 0.847 462 D CB 0.339 41.103 40.800 -0.060 0.000 0.933 462 D HN 0.389 nan 8.370 nan 0.000 0.513 463 G N 0.892 109.689 108.800 -0.004 0.000 2.143 463 G HA2 -0.326 3.631 3.960 -0.004 0.000 0.248 463 G HA3 -0.326 3.631 3.960 -0.004 0.000 0.248 463 G C 0.808 175.721 174.900 0.022 0.000 0.991 463 G CA 0.674 45.777 45.100 0.006 0.000 0.689 463 G HN 0.703 nan 8.290 nan 0.000 0.522 464 S N -0.380 115.342 115.700 0.037 0.000 2.710 464 S HA 0.231 4.699 4.470 -0.004 0.000 0.224 464 S C 1.436 176.084 174.600 0.080 0.000 0.948 464 S CA 0.804 59.046 58.200 0.070 0.000 0.949 464 S CB 0.248 63.512 63.200 0.107 0.000 0.778 464 S HN 0.252 nan 8.310 nan 0.000 0.498 465 D N 3.439 123.872 120.400 0.056 0.000 2.157 465 D HA -0.153 4.484 4.640 -0.004 0.000 0.191 465 D C 1.902 178.252 176.300 0.082 0.000 1.004 465 D CA 1.974 56.011 54.000 0.061 0.000 0.854 465 D CB -0.535 40.292 40.800 0.045 0.000 0.936 465 D HN 0.667 nan 8.370 nan 0.000 0.446 466 A N 0.140 123.003 122.820 0.071 0.000 2.208 466 A HA 0.144 4.462 4.320 -0.004 0.000 0.209 466 A C 0.797 178.429 177.584 0.080 0.000 1.161 466 A CA -0.108 51.971 52.037 0.070 0.000 0.782 466 A CB 0.176 19.199 19.000 0.038 0.000 0.816 466 A HN 0.070 nan 8.150 nan 0.000 0.477 467 V N 2.285 122.266 119.914 0.112 0.000 2.446 467 V HA 0.094 4.212 4.120 -0.004 0.000 0.276 467 V C 1.206 177.394 176.094 0.157 0.000 1.030 467 V CA 0.914 63.282 62.300 0.114 0.000 1.033 467 V CB 0.639 32.566 31.823 0.174 0.000 0.993 467 V HN 0.582 nan 8.190 nan 0.000 0.477 468 S N 1.132 116.869 115.700 0.061 0.000 2.602 468 S HA 0.091 4.558 4.470 -0.004 0.000 0.240 468 S C 0.849 175.441 174.600 -0.013 0.000 0.992 468 S CA -0.454 57.791 58.200 0.074 0.000 0.971 468 S CB 0.017 63.252 63.200 0.060 0.000 0.855 468 S HN 0.709 nan 8.310 nan 0.000 0.481 469 D N 1.904 122.204 120.400 -0.167 0.000 2.178 469 D HA -0.094 4.543 4.640 -0.004 0.000 0.201 469 D C 0.976 177.138 176.300 -0.230 0.000 0.980 469 D CA 1.069 54.895 54.000 -0.290 0.000 0.842 469 D CB -0.189 40.295 40.800 -0.526 0.000 0.948 469 D HN 0.630 nan 8.370 nan 0.000 0.472 470 W N 1.494 122.780 121.300 -0.023 0.000 2.378 470 W HA -0.071 4.587 4.660 -0.003 0.000 0.313 470 W C -0.355 176.146 176.519 -0.029 0.000 1.197 470 W CA 0.513 57.841 57.345 -0.029 0.000 1.304 470 W CB -1.758 27.679 29.460 -0.039 0.000 1.148 470 W HN 0.126 nan 8.180 nan 0.000 0.494 471 P HA -0.158 nan 4.420 nan 0.000 0.216 471 P C 1.478 178.804 177.300 0.043 0.000 1.150 471 P CA 1.379 64.540 63.100 0.102 0.000 0.837 471 P CB -0.114 31.649 31.700 0.106 0.000 0.786 472 L N -0.935 120.301 121.223 0.022 0.000 2.056 472 L HA -0.090 4.248 4.340 -0.004 0.000 0.207 472 L C 2.779 179.640 176.870 -0.016 0.000 1.078 472 L CA 1.553 56.386 54.840 -0.012 0.000 0.749 472 L CB -1.790 40.248 42.059 -0.036 0.000 0.901 472 L HN -0.113 nan 8.230 nan 0.000 0.433 473 L N -0.494 120.721 121.223 -0.014 0.000 2.083 473 L HA -0.217 4.121 4.340 -0.004 0.000 0.209 473 L C 2.459 179.340 176.870 0.018 0.000 1.083 473 L CA 1.188 56.024 54.840 -0.007 0.000 0.752 473 L CB -0.615 41.435 42.059 -0.014 0.000 0.899 473 L HN 0.477 nan 8.230 nan 0.000 0.433 474 N N 0.687 119.409 118.700 0.037 0.000 2.120 474 N HA -0.190 4.547 4.740 -0.004 0.000 0.188 474 N C 1.825 177.326 175.510 -0.015 0.000 1.024 474 N CA 1.631 54.691 53.050 0.016 0.000 0.852 474 N CB 0.152 38.646 38.487 0.012 0.000 1.003 474 N HN 0.312 nan 8.380 nan 0.000 0.424 475 A N 1.310 124.116 122.820 -0.024 0.000 1.873 475 A HA -0.052 4.266 4.320 -0.004 0.000 0.215 475 A C 2.204 179.776 177.584 -0.020 0.000 1.186 475 A CA 0.764 52.779 52.037 -0.035 0.000 0.616 475 A CB -0.588 18.390 19.000 -0.037 0.000 0.823 475 A HN 0.269 nan 8.150 nan 0.000 0.442 476 L N -0.876 120.338 121.223 -0.014 0.000 2.046 476 L HA -0.138 4.200 4.340 -0.004 0.000 0.208 476 L C 2.422 179.291 176.870 -0.002 0.000 1.077 476 L CA 1.580 56.414 54.840 -0.010 0.000 0.747 476 L CB -1.349 40.701 42.059 -0.015 0.000 0.896 476 L HN 0.453 nan 8.230 nan 0.000 0.432 477 L N -0.344 120.879 121.223 -0.001 0.000 2.056 477 L HA -0.125 4.212 4.340 -0.004 0.000 0.207 477 L C 2.250 179.121 176.870 0.002 0.000 1.078 477 L CA 1.564 56.406 54.840 0.004 0.000 0.749 477 L CB -0.808 41.256 42.059 0.009 0.000 0.901 477 L HN 0.299 nan 8.230 nan 0.000 0.433 478 N N -1.005 117.690 118.700 -0.009 0.000 2.166 478 N HA -0.156 4.582 4.740 -0.004 0.000 0.186 478 N C 1.594 177.104 175.510 0.000 0.000 1.019 478 N CA 1.841 54.882 53.050 -0.014 0.000 0.856 478 N CB -0.121 38.343 38.487 -0.037 0.000 0.993 478 N HN 0.432 nan 8.380 nan 0.000 0.426 479 T N 0.930 115.487 114.554 0.005 0.000 2.777 479 T HA -0.023 4.325 4.350 -0.004 0.000 0.266 479 T C 1.988 176.707 174.700 0.032 0.000 1.040 479 T CA 1.232 63.341 62.100 0.016 0.000 1.141 479 T CB -0.211 68.664 68.868 0.012 0.000 0.868 479 T HN 0.310 nan 8.240 nan 0.000 0.444 480 A N 1.147 123.987 122.820 0.033 0.000 1.969 480 A HA 0.172 4.490 4.320 -0.004 0.000 0.218 480 A C 2.506 180.122 177.584 0.055 0.000 1.169 480 A CA 1.663 53.729 52.037 0.049 0.000 0.635 480 A CB -1.026 17.993 19.000 0.031 0.000 0.810 480 A HN 0.517 nan 8.150 nan 0.000 0.445 481 G N -1.964 106.858 108.800 0.037 0.000 2.683 481 G HA2 0.364 4.322 3.960 -0.004 0.000 0.213 481 G HA3 0.364 4.322 3.960 -0.004 0.000 0.213 481 G C 1.017 175.943 174.900 0.043 0.000 1.142 481 G CA 0.587 45.708 45.100 0.034 0.000 0.793 481 G HN 1.687 nan 8.290 nan 0.000 0.534 482 G N -0.899 107.928 108.800 0.046 0.000 2.173 482 G HA2 0.247 4.205 3.960 -0.004 0.000 0.174 482 G HA3 0.247 4.205 3.960 -0.004 0.000 0.174 482 G C 0.349 175.271 174.900 0.037 0.000 1.025 482 G CA 0.033 45.164 45.100 0.051 0.000 0.706 482 G HN 1.179 nan 8.290 nan 0.000 0.499 483 A N -0.412 122.419 122.820 0.017 0.000 2.466 483 A HA 0.647 4.965 4.320 -0.004 0.000 0.238 483 A C 1.632 179.242 177.584 0.043 0.000 1.074 483 A CA 1.472 53.507 52.037 -0.003 0.000 0.774 483 A CB 0.284 19.256 19.000 -0.047 0.000 1.015 483 A HN 0.825 nan 8.150 nan 0.000 0.498 484 T N 0.334 114.921 114.554 0.055 0.000 2.851 484 T HA 0.091 4.439 4.350 -0.004 0.000 0.262 484 T C 0.176 175.119 174.700 0.404 0.000 1.043 484 T CA 1.746 63.976 62.100 0.217 0.000 1.140 484 T CB -0.252 68.796 68.868 0.300 0.000 0.872 484 T HN 0.843 nan 8.240 nan 0.000 0.446 485 W N -0.109 121.229 121.300 0.064 0.000 3.138 485 W HA 0.739 5.397 4.660 -0.004 0.000 0.331 485 W C -2.050 174.472 176.519 0.004 0.000 1.166 485 W CA -1.256 56.114 57.345 0.042 0.000 1.212 485 W CB 1.133 30.635 29.460 0.070 0.000 1.399 485 W HN -0.336 nan 8.180 nan 0.000 0.514 486 V N 3.227 123.251 119.914 0.183 0.000 2.735 486 V HA 0.752 4.870 4.120 -0.004 0.000 0.310 486 V C -0.369 175.756 176.094 0.052 0.000 1.061 486 V CA -0.769 61.555 62.300 0.041 0.000 0.913 486 V CB 1.838 33.670 31.823 0.015 0.000 1.005 486 V HN 0.741 nan 8.190 nan 0.000 0.428 487 S N 4.320 120.006 115.700 -0.023 0.000 2.549 487 S HA 0.851 5.319 4.470 -0.004 0.000 0.280 487 S C -1.279 173.299 174.600 -0.038 0.000 1.109 487 S CA -0.785 57.416 58.200 0.001 0.000 0.905 487 S CB 1.861 65.055 63.200 -0.010 0.000 1.081 487 S HN 0.533 nan 8.310 nan 0.000 0.477 488 L N 2.959 124.234 121.223 0.088 0.000 2.372 488 L HA 0.563 4.900 4.340 -0.004 0.000 0.274 488 L C -0.493 176.519 176.870 0.237 0.000 0.988 488 L CA -0.420 54.466 54.840 0.076 0.000 0.833 488 L CB 1.477 43.556 42.059 0.033 0.000 1.236 488 L HN 0.831 nan 8.230 nan 0.000 0.410 489 H N 1.481 120.507 119.070 -0.073 0.000 2.771 489 H HA 0.457 5.011 4.556 -0.004 0.000 0.367 489 H C -1.302 173.830 175.328 -0.325 0.000 1.172 489 H CA -0.900 55.075 56.048 -0.122 0.000 1.186 489 H CB 3.038 32.800 29.762 -0.000 0.000 1.790 489 H HN 0.537 nan 8.280 nan 0.000 0.556 490 H N -0.396 118.620 119.070 -0.091 0.000 2.667 490 H HA 0.295 4.849 4.556 -0.003 0.000 0.353 490 H C 0.419 175.840 175.328 0.154 0.000 1.072 490 H CA 0.201 56.226 56.048 -0.038 0.000 1.214 490 H CB 1.439 31.202 29.762 0.000 0.000 1.600 490 H HN 1.035 nan 8.280 nan 0.000 0.527 491 G N 3.203 111.952 108.800 -0.084 0.000 2.159 491 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.256 491 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.256 491 G C 0.620 175.733 174.900 0.355 0.000 0.977 491 G CA 0.078 45.123 45.100 -0.091 0.000 0.652 491 G HN 0.979 nan 8.290 nan 0.000 0.531 492 G N -0.983 108.159 108.800 0.570 0.000 2.353 492 G HA2 0.505 4.462 3.960 -0.004 0.000 0.239 492 G HA3 0.505 4.462 3.960 -0.004 0.000 0.239 492 G C 1.550 176.490 174.900 0.066 0.000 1.295 492 G CA 1.664 46.878 45.100 0.191 0.000 0.884 492 G HN 1.859 nan 8.290 nan 0.000 0.537 493 G N 0.432 109.231 108.800 -0.002 0.000 3.909 493 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.218 493 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.218 493 G C 1.355 176.261 174.900 0.011 0.000 1.404 493 G CA 1.249 46.334 45.100 -0.026 0.000 0.905 493 G HN 1.988 nan 8.290 nan 0.000 0.589 494 V N -0.853 119.149 119.914 0.146 0.000 3.643 494 V HA 0.653 4.770 4.120 -0.004 0.000 0.280 494 V C 1.390 177.668 176.094 0.307 0.000 1.351 494 V CA 0.814 63.235 62.300 0.202 0.000 1.073 494 V CB -0.273 31.661 31.823 0.186 0.000 0.863 494 V HN 2.547 nan 8.190 nan 0.000 0.436 495 G N 0.518 109.537 108.800 0.364 0.000 2.663 495 G HA2 -0.088 3.870 3.960 -0.004 0.000 0.686 495 G HA3 -0.088 3.870 3.960 -0.004 0.000 0.686 495 G C -0.568 174.274 174.900 -0.097 0.000 1.288 495 G CA -0.521 44.770 45.100 0.318 0.000 0.836 495 G HN 0.238 nan 8.290 nan 0.000 0.584 496 M N 1.165 120.260 119.600 -0.841 0.000 2.286 496 M HA 0.284 4.762 4.480 -0.004 0.000 0.365 496 M C 1.809 177.978 176.300 -0.217 0.000 1.443 496 M CA 2.091 56.898 55.300 -0.822 0.000 0.951 496 M CB -0.753 31.136 32.600 -1.185 0.000 1.961 496 M HN 2.550 nan 8.290 nan 0.000 0.468 497 G N 2.973 111.762 108.800 -0.019 0.000 2.232 497 G HA2 -0.273 3.685 3.960 -0.004 0.000 0.226 497 G HA3 -0.273 3.685 3.960 -0.004 0.000 0.226 497 G C 0.369 175.039 174.900 -0.384 0.000 0.996 497 G CA -0.117 44.879 45.100 -0.174 0.000 0.626 497 G HN 0.600 nan 8.290 nan 0.000 0.509 498 F N 1.988 121.998 119.950 0.099 0.000 2.706 498 F HA 0.506 5.031 4.527 -0.003 0.000 0.313 498 F C 1.177 177.067 175.800 0.149 0.000 1.096 498 F CA 0.558 58.625 58.000 0.112 0.000 1.219 498 F CB 1.145 40.208 39.000 0.105 0.000 1.051 498 F HN 0.489 nan 8.300 nan 0.000 0.568 499 S N -0.650 115.233 115.700 0.305 0.000 2.547 499 S HA 0.701 5.168 4.470 -0.004 0.000 0.270 499 S C -1.205 173.607 174.600 0.353 0.000 1.150 499 S CA -0.809 57.592 58.200 0.335 0.000 0.850 499 S CB 2.486 65.921 63.200 0.391 0.000 1.118 499 S HN 0.090 nan 8.310 nan 0.000 0.461 500 Q N 0.545 120.525 119.800 0.300 0.000 2.359 500 Q HA 0.688 5.026 4.340 -0.004 0.000 0.274 500 Q C -1.535 174.569 176.000 0.173 0.000 1.074 500 Q CA -0.727 55.160 55.803 0.140 0.000 0.810 500 Q CB 2.339 31.134 28.738 0.096 0.000 1.342 500 Q HN 0.999 nan 8.270 nan 0.000 0.427 501 H N -1.997 117.173 119.070 0.166 0.000 3.003 501 H HA 0.661 5.215 4.556 -0.004 0.000 0.327 501 H C -1.359 173.983 175.328 0.024 0.000 1.353 501 H CA -1.097 55.021 56.048 0.117 0.000 1.142 501 H CB 1.018 30.892 29.762 0.188 0.000 1.864 501 H HN 0.546 nan 8.280 nan 0.000 0.529 502 S N 0.551 116.226 115.700 -0.042 0.000 2.566 502 S HA 0.878 5.346 4.470 -0.004 0.000 0.298 502 S C -0.080 174.034 174.600 -0.810 0.000 1.083 502 S CA -0.357 57.665 58.200 -0.296 0.000 0.978 502 S CB 1.940 65.046 63.200 -0.155 0.000 1.073 502 S HN 1.212 nan 8.310 nan 0.000 0.491 503 G N 0.626 108.896 108.800 -0.882 0.000 2.498 503 G HA2 0.719 4.676 3.960 -0.004 0.000 0.312 503 G HA3 0.719 4.676 3.960 -0.004 0.000 0.312 503 G C -0.959 173.755 174.900 -0.310 0.000 1.230 503 G CA -1.112 43.537 45.100 -0.752 0.000 0.968 503 G HN 1.089 nan 8.290 nan 0.000 0.481 504 M N -0.132 119.322 119.600 -0.242 0.000 2.470 504 M HA 0.811 5.289 4.480 -0.004 0.000 0.285 504 M C -1.563 174.524 176.300 -0.354 0.000 1.213 504 M CA -0.994 54.161 55.300 -0.241 0.000 0.901 504 M CB 2.074 34.578 32.600 -0.160 0.000 1.718 504 M HN 0.398 nan 8.290 nan 0.000 0.469 505 V N 2.826 122.388 119.914 -0.586 0.000 2.808 505 V HA 0.716 4.834 4.120 -0.004 0.000 0.308 505 V C -1.277 174.492 176.094 -0.542 0.000 1.099 505 V CA -0.596 61.261 62.300 -0.739 0.000 0.920 505 V CB 2.079 32.980 31.823 -1.535 0.000 1.014 505 V HN 1.022 nan 8.190 nan 0.000 0.425 506 I N 3.354 123.746 120.570 -0.295 0.000 2.545 506 I HA 0.658 4.826 4.170 -0.004 0.000 0.292 506 I C -0.892 175.199 176.117 -0.043 0.000 1.040 506 I CA -0.743 60.485 61.300 -0.120 0.000 1.068 506 I CB 2.109 40.080 38.000 -0.049 0.000 1.251 506 I HN 0.427 nan 8.210 nan 0.000 0.424 507 V N 6.498 126.441 119.914 0.048 0.000 2.465 507 V HA 0.193 4.311 4.120 -0.004 0.000 0.279 507 V C -0.323 175.806 176.094 0.059 0.000 1.045 507 V CA -0.431 61.927 62.300 0.096 0.000 0.938 507 V CB 0.974 32.914 31.823 0.195 0.000 0.986 507 V HN 0.777 nan 8.190 nan 0.000 0.467 508 C N 4.618 123.936 119.300 0.029 0.000 2.176 508 C HA 0.323 4.781 4.460 -0.004 0.000 0.329 508 C C 1.060 176.021 174.990 -0.048 0.000 1.113 508 C CA -0.790 58.231 59.018 0.005 0.000 1.562 508 C CB -0.900 26.852 27.740 0.020 0.000 2.040 508 C HN 0.984 nan 8.230 nan 0.000 0.460 509 D N 0.372 120.749 120.400 -0.037 0.000 2.368 509 D HA 0.206 4.844 4.640 -0.004 0.000 0.218 509 D C 1.472 177.721 176.300 -0.085 0.000 1.112 509 D CA 0.480 54.416 54.000 -0.107 0.000 0.834 509 D CB -0.096 40.700 40.800 -0.008 0.000 0.953 509 D HN 0.751 nan 8.370 nan 0.000 0.505 510 G N 0.408 109.178 108.800 -0.049 0.000 2.179 510 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.260 510 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.260 510 G C 0.520 175.418 174.900 -0.004 0.000 0.977 510 G CA 0.633 45.715 45.100 -0.030 0.000 0.641 510 G HN 0.792 nan 8.290 nan 0.000 0.533 511 T N -1.940 112.621 114.554 0.012 0.000 2.899 511 T HA 0.544 4.891 4.350 -0.004 0.000 0.284 511 T C 1.022 175.735 174.700 0.022 0.000 1.004 511 T CA 0.290 62.405 62.100 0.025 0.000 1.043 511 T CB 1.504 70.399 68.868 0.045 0.000 1.013 511 T HN -0.076 nan 8.240 nan 0.000 0.518 512 D N 0.967 121.380 120.400 0.022 0.000 2.144 512 D HA -0.067 4.571 4.640 -0.004 0.000 0.199 512 D C 1.888 178.203 176.300 0.025 0.000 0.984 512 D CA 1.243 55.254 54.000 0.019 0.000 0.834 512 D CB -0.133 40.678 40.800 0.018 0.000 0.955 512 D HN 0.728 nan 8.370 nan 0.000 0.465 513 E N 0.986 121.206 120.200 0.034 0.000 2.077 513 E HA -0.065 4.283 4.350 -0.004 0.000 0.193 513 E C 2.100 178.725 176.600 0.043 0.000 0.989 513 E CA 1.175 57.601 56.400 0.042 0.000 0.800 513 E CB -0.376 29.356 29.700 0.054 0.000 0.746 513 E HN 0.236 nan 8.360 nan 0.000 0.452 514 A N 1.212 124.058 122.820 0.044 0.000 1.908 514 A HA -0.171 4.147 4.320 -0.004 0.000 0.218 514 A C 2.407 180.006 177.584 0.025 0.000 1.181 514 A CA 2.074 54.135 52.037 0.040 0.000 0.627 514 A CB -1.032 17.991 19.000 0.039 0.000 0.818 514 A HN 0.294 nan 8.150 nan 0.000 0.445 515 A N -0.391 122.439 122.820 0.016 0.000 1.917 515 A HA -0.226 4.091 4.320 -0.004 0.000 0.219 515 A C 1.986 179.573 177.584 0.005 0.000 1.182 515 A CA 2.287 54.327 52.037 0.005 0.000 0.633 515 A CB -0.559 18.442 19.000 0.001 0.000 0.819 515 A HN 0.597 nan 8.150 nan 0.000 0.448 516 E N -0.207 120.000 120.200 0.013 0.000 2.077 516 E HA -0.160 4.188 4.350 -0.004 0.000 0.193 516 E C 2.231 178.840 176.600 0.016 0.000 0.989 516 E CA 1.445 57.852 56.400 0.013 0.000 0.800 516 E CB -0.150 29.561 29.700 0.018 0.000 0.746 516 E HN 0.608 nan 8.360 nan 0.000 0.452 517 R N -0.094 120.421 120.500 0.025 0.000 2.073 517 R HA -0.081 4.256 4.340 -0.004 0.000 0.234 517 R C 2.542 178.851 176.300 0.015 0.000 1.134 517 R CA 1.617 57.734 56.100 0.028 0.000 0.952 517 R CB -0.506 29.819 30.300 0.041 0.000 0.850 517 R HN 0.270 nan 8.270 nan 0.000 0.433 518 I N 0.870 121.446 120.570 0.010 0.000 2.163 518 I HA -0.317 3.851 4.170 -0.004 0.000 0.243 518 I C 2.689 178.799 176.117 -0.012 0.000 1.085 518 I CA 1.423 62.723 61.300 0.001 0.000 1.347 518 I CB -0.494 37.503 38.000 -0.005 0.000 1.044 518 I HN 0.220 nan 8.210 nan 0.000 0.408 519 A N 1.648 124.459 122.820 -0.015 0.000 1.892 519 A HA -0.262 4.056 4.320 -0.004 0.000 0.218 519 A C 2.395 179.965 177.584 -0.022 0.000 1.188 519 A CA 2.382 54.404 52.037 -0.025 0.000 0.631 519 A CB -0.708 18.279 19.000 -0.020 0.000 0.822 519 A HN 0.561 nan 8.150 nan 0.000 0.447 520 R N -1.014 119.479 120.500 -0.011 0.000 2.080 520 R HA 0.100 4.438 4.340 -0.004 0.000 0.222 520 R C 1.954 178.248 176.300 -0.011 0.000 1.107 520 R CA 1.111 57.206 56.100 -0.009 0.000 0.980 520 R CB -1.163 29.137 30.300 -0.000 0.000 0.879 520 R HN 0.293 nan 8.270 nan 0.000 0.439 521 V N 1.903 121.814 119.914 -0.005 0.000 2.343 521 V HA -0.125 3.993 4.120 -0.004 0.000 0.247 521 V C 1.913 178.000 176.094 -0.013 0.000 1.051 521 V CA 1.609 63.905 62.300 -0.006 0.000 1.036 521 V CB -0.200 31.622 31.823 -0.002 0.000 0.654 521 V HN 0.365 nan 8.190 nan 0.000 0.451 522 L N -0.460 120.754 121.223 -0.015 0.000 2.509 522 L HA -0.004 4.334 4.340 -0.004 0.000 0.222 522 L C 2.357 179.187 176.870 -0.067 0.000 1.123 522 L CA 1.120 55.945 54.840 -0.025 0.000 0.856 522 L CB -0.560 41.492 42.059 -0.012 0.000 0.985 522 L HN 0.363 nan 8.230 nan 0.000 0.456 523 T N -0.603 113.919 114.554 -0.053 0.000 2.770 523 T HA -0.061 4.287 4.350 -0.004 0.000 0.258 523 T C 1.676 176.348 174.700 -0.046 0.000 1.039 523 T CA 1.054 63.121 62.100 -0.055 0.000 1.143 523 T CB -0.065 68.778 68.868 -0.042 0.000 0.866 523 T HN 0.256 nan 8.240 nan 0.000 0.428 524 N N 1.295 119.976 118.700 -0.031 0.000 2.188 524 N HA -0.073 4.664 4.740 -0.004 0.000 0.184 524 N C 1.647 177.140 175.510 -0.027 0.000 1.018 524 N CA 1.031 54.068 53.050 -0.021 0.000 0.858 524 N CB -0.545 37.936 38.487 -0.010 0.000 0.989 524 N HN 0.385 nan 8.380 nan 0.000 0.426 525 D N 0.673 121.051 120.400 -0.036 0.000 2.078 525 D HA -0.067 4.571 4.640 -0.004 0.000 0.193 525 D C -0.927 175.332 176.300 -0.068 0.000 0.990 525 D CA 1.140 55.112 54.000 -0.046 0.000 0.827 525 D CB -0.693 40.084 40.800 -0.039 0.000 0.975 525 D HN 0.213 nan 8.370 nan 0.000 0.451 526 P HA 0.018 nan 4.420 nan 0.000 0.222 526 P C 1.639 178.888 177.300 -0.085 0.000 1.153 526 P CA 1.365 64.397 63.100 -0.113 0.000 0.798 526 P CB -0.230 31.383 31.700 -0.145 0.000 0.796 527 G N 1.066 109.828 108.800 -0.062 0.000 2.440 527 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.218 527 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.218 527 G C 1.666 176.554 174.900 -0.022 0.000 1.154 527 G CA 2.060 47.137 45.100 -0.038 0.000 0.767 527 G HN 0.403 nan 8.290 nan 0.000 0.552 528 T N -1.335 113.211 114.554 -0.013 0.000 2.915 528 T HA 0.089 4.437 4.350 -0.004 0.000 0.269 528 T C 2.380 177.064 174.700 -0.025 0.000 1.071 528 T CA 1.593 63.704 62.100 0.017 0.000 1.132 528 T CB -0.396 68.499 68.868 0.045 0.000 0.878 528 T HN 0.245 nan 8.240 nan 0.000 0.479 529 G N 1.005 109.771 108.800 -0.057 0.000 2.394 529 G HA2 -0.048 3.909 3.960 -0.004 0.000 0.215 529 G HA3 -0.048 3.909 3.960 -0.004 0.000 0.215 529 G C 1.621 176.534 174.900 0.022 0.000 1.165 529 G CA 0.693 45.762 45.100 -0.053 0.000 0.784 529 G HN 0.468 nan 8.290 nan 0.000 0.535 530 V N 1.371 121.268 119.914 -0.029 0.000 2.332 530 V HA -0.256 3.861 4.120 -0.004 0.000 0.248 530 V C 2.704 178.794 176.094 -0.007 0.000 1.055 530 V CA 2.218 64.510 62.300 -0.013 0.000 1.038 530 V CB -0.474 31.330 31.823 -0.031 0.000 0.651 530 V HN 0.514 nan 8.190 nan 0.000 0.450 531 M N -0.192 119.390 119.600 -0.030 0.000 2.080 531 M HA -0.218 4.260 4.480 -0.004 0.000 0.260 531 M C 2.448 178.630 176.300 -0.196 0.000 1.068 531 M CA 1.982 57.259 55.300 -0.039 0.000 1.109 531 M CB -0.384 32.238 32.600 0.036 0.000 1.342 531 M HN 0.157 nan 8.290 nan 0.000 0.405 532 R N -0.566 119.693 120.500 -0.400 0.000 2.096 532 R HA -0.181 4.157 4.340 -0.004 0.000 0.235 532 R C 1.577 177.455 176.300 -0.704 0.000 1.127 532 R CA 2.156 57.633 56.100 -1.039 0.000 0.968 532 R CB -0.703 28.923 30.300 -1.124 0.000 0.861 532 R HN 0.584 nan 8.270 nan 0.000 0.440 533 H N -0.635 118.266 119.070 -0.282 0.000 2.482 533 H HA 0.165 4.719 4.556 -0.004 0.000 0.286 533 H C 1.785 177.147 175.328 0.056 0.000 1.017 533 H CA 1.163 57.179 56.048 -0.053 0.000 1.322 533 H CB 0.125 29.839 29.762 -0.079 0.000 1.426 533 H HN 0.345 nan 8.280 nan 0.000 0.546 534 A N 0.424 123.282 122.820 0.063 0.000 1.930 534 A HA -0.194 4.124 4.320 -0.004 0.000 0.217 534 A C 1.934 179.523 177.584 0.008 0.000 1.175 534 A CA 1.826 53.892 52.037 0.048 0.000 0.627 534 A CB -0.463 18.553 19.000 0.028 0.000 0.815 534 A HN 0.472 nan 8.150 nan 0.000 0.443 535 D N -0.167 120.207 120.400 -0.043 0.000 2.144 535 D HA -0.043 4.595 4.640 -0.004 0.000 0.199 535 D C 1.882 178.173 176.300 -0.015 0.000 0.984 535 D CA 1.386 55.385 54.000 -0.001 0.000 0.834 535 D CB -0.126 40.700 40.800 0.044 0.000 0.955 535 D HN 0.357 nan 8.370 nan 0.000 0.465 536 A N -0.763 122.018 122.820 -0.066 0.000 2.168 536 A HA 0.315 4.632 4.320 -0.004 0.000 0.215 536 A C 1.842 179.314 177.584 -0.186 0.000 1.152 536 A CA 1.244 53.232 52.037 -0.081 0.000 0.716 536 A CB -0.506 18.481 19.000 -0.022 0.000 0.794 536 A HN 0.527 nan 8.150 nan 0.000 0.465 537 G N -2.726 105.996 108.800 -0.130 0.000 2.131 537 G HA2 -0.224 3.733 3.960 -0.004 0.000 0.201 537 G HA3 -0.224 3.733 3.960 -0.004 0.000 0.201 537 G C -0.223 174.546 174.900 -0.220 0.000 1.000 537 G CA -0.076 44.928 45.100 -0.159 0.000 0.680 537 G HN 0.359 nan 8.290 nan 0.000 0.514 538 Y N 1.391 121.693 120.300 0.002 0.000 2.436 538 Y HA 0.304 4.852 4.550 -0.004 0.000 0.336 538 Y C 1.553 177.456 175.900 0.005 0.000 1.049 538 Y CA -0.120 57.988 58.100 0.012 0.000 1.294 538 Y CB 0.797 39.283 38.460 0.042 0.000 1.179 538 Y HN 0.082 nan 8.280 nan 0.000 0.520 539 D N 2.732 123.202 120.400 0.116 0.000 2.178 539 D HA -0.170 4.467 4.640 -0.004 0.000 0.201 539 D C 2.120 178.462 176.300 0.070 0.000 0.980 539 D CA 1.482 55.520 54.000 0.064 0.000 0.842 539 D CB 0.072 40.893 40.800 0.036 0.000 0.948 539 D HN 0.741 nan 8.370 nan 0.000 0.472 540 I N -1.332 119.293 120.570 0.091 0.000 2.394 540 I HA -0.091 4.076 4.170 -0.004 0.000 0.251 540 I C 2.263 178.404 176.117 0.039 0.000 1.136 540 I CA 1.094 62.423 61.300 0.048 0.000 1.425 540 I CB -0.387 37.627 38.000 0.024 0.000 1.079 540 I HN -0.170 nan 8.210 nan 0.000 0.425 541 A N 2.051 124.917 122.820 0.077 0.000 1.897 541 A HA 0.026 4.343 4.320 -0.004 0.000 0.215 541 A C 2.321 179.932 177.584 0.046 0.000 1.181 541 A CA 1.246 53.318 52.037 0.060 0.000 0.620 541 A CB -0.767 18.310 19.000 0.128 0.000 0.821 541 A HN 0.457 nan 8.150 nan 0.000 0.443 542 I N 0.138 120.741 120.570 0.055 0.000 2.226 542 I HA -0.255 3.913 4.170 -0.004 0.000 0.245 542 I C 1.828 177.957 176.117 0.020 0.000 1.100 542 I CA 1.471 62.790 61.300 0.032 0.000 1.374 542 I CB -0.400 37.616 38.000 0.028 0.000 1.057 542 I HN 0.247 nan 8.210 nan 0.000 0.413 543 D N 0.096 120.508 120.400 0.020 0.000 2.097 543 D HA -0.211 4.427 4.640 -0.004 0.000 0.195 543 D C 2.211 178.514 176.300 0.004 0.000 0.989 543 D CA 1.279 55.285 54.000 0.010 0.000 0.827 543 D CB -0.658 40.148 40.800 0.010 0.000 0.966 543 D HN 0.404 nan 8.370 nan 0.000 0.456 544 C N 1.139 120.440 119.300 0.002 0.000 2.429 544 C HA -0.019 4.438 4.460 -0.004 0.000 0.277 544 C C 2.883 177.868 174.990 -0.008 0.000 1.262 544 C CA 1.395 60.409 59.018 -0.008 0.000 1.733 544 C CB -1.077 26.654 27.740 -0.016 0.000 2.010 544 C HN 0.326 nan 8.230 nan 0.000 0.483 545 A N 0.546 123.365 122.820 -0.002 0.000 1.908 545 A HA -0.150 4.168 4.320 -0.004 0.000 0.218 545 A C 2.235 179.818 177.584 -0.002 0.000 1.181 545 A CA 1.809 53.845 52.037 -0.001 0.000 0.627 545 A CB -0.500 18.504 19.000 0.007 0.000 0.818 545 A HN 0.637 nan 8.150 nan 0.000 0.445 546 K N -0.028 120.372 120.400 0.001 0.000 2.026 546 K HA -0.135 4.183 4.320 -0.004 0.000 0.208 546 K C 1.831 178.429 176.600 -0.004 0.000 1.048 546 K CA 1.717 58.004 56.287 -0.000 0.000 0.929 546 K CB -0.550 31.951 32.500 0.002 0.000 0.713 546 K HN 0.707 nan 8.250 nan 0.000 0.439 547 E N 0.654 120.851 120.200 -0.005 0.000 2.118 547 E HA -0.173 4.175 4.350 -0.004 0.000 0.195 547 E C 1.776 178.369 176.600 -0.012 0.000 0.992 547 E CA 0.930 57.325 56.400 -0.008 0.000 0.804 547 E CB 0.107 29.801 29.700 -0.009 0.000 0.741 547 E HN 0.210 nan 8.360 nan 0.000 0.458 548 Q N -0.848 118.943 119.800 -0.015 0.000 2.360 548 Q HA 0.091 4.429 4.340 -0.004 0.000 0.202 548 Q C 0.859 176.849 176.000 -0.016 0.000 0.915 548 Q CA 0.669 56.461 55.803 -0.020 0.000 0.943 548 Q CB 1.310 30.032 28.738 -0.027 0.000 1.064 548 Q HN 0.394 nan 8.270 nan 0.000 0.511 549 G N 1.498 110.291 108.800 -0.011 0.000 2.198 549 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.257 549 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.257 549 G C 0.056 174.952 174.900 -0.006 0.000 1.042 549 G CA -0.006 45.089 45.100 -0.008 0.000 0.791 549 G HN 0.279 nan 8.290 nan 0.000 0.502 550 L N 0.090 121.310 121.223 -0.005 0.000 2.461 550 L HA 0.273 4.611 4.340 -0.004 0.000 0.272 550 L C 0.496 177.369 176.870 0.005 0.000 1.197 550 L CA -0.234 54.606 54.840 -0.000 0.000 0.836 550 L CB 0.586 42.646 42.059 0.002 0.000 1.105 550 L HN 0.151 nan 8.230 nan 0.000 0.477 551 D N 4.246 124.652 120.400 0.009 0.000 2.467 551 D HA 0.307 4.944 4.640 -0.004 0.000 0.220 551 D C -0.759 175.553 176.300 0.020 0.000 1.103 551 D CA -0.175 53.831 54.000 0.011 0.000 0.886 551 D CB 0.404 41.209 40.800 0.009 0.000 1.025 551 D HN 0.269 nan 8.370 nan 0.000 0.514 552 L N 5.771 127.007 121.223 0.023 0.000 2.356 552 L HA 0.308 4.646 4.340 -0.004 0.000 0.264 552 L C -1.323 175.565 176.870 0.030 0.000 1.029 552 L CA -1.631 53.230 54.840 0.034 0.000 0.897 552 L CB 1.670 43.751 42.059 0.037 0.000 1.256 552 L HN 0.140 nan 8.230 nan 0.000 0.444 553 P HA -0.107 nan 4.420 nan 0.000 0.216 553 P C 0.789 178.101 177.300 0.021 0.000 1.150 553 P CA 1.229 64.342 63.100 0.020 0.000 0.843 553 P CB 0.218 31.929 31.700 0.017 0.000 0.787 554 M N -1.104 118.514 119.600 0.029 0.000 2.114 554 M HA 0.498 4.976 4.480 -0.004 0.000 0.280 554 M C 0.726 177.041 176.300 0.024 0.000 1.209 554 M CA -0.414 54.902 55.300 0.027 0.000 1.044 554 M CB 0.042 32.664 32.600 0.036 0.000 1.404 554 M HN -0.154 nan 8.290 nan 0.000 0.499 555 I N 0.000 120.582 120.570 0.019 0.000 2.984 555 I HA 0.000 4.168 4.170 -0.004 0.000 0.288 555 I CA 0.000 nan 61.300 nan 0.000 1.566 555 I CB 0.000 nan 38.000 nan 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494