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 3bdz_1_B DATA FIRST_RESID 8 DATA SEQUENCE TSLFTTADHY HTPLGPDGTP HAFFEALRDE AETTPIGWSE AYGGHWVVAG DATA SEQUENCE YKEIQAVIQN TKAFSNKGVT FPRYETGEFE LMMAGQDDPV HKKYRQLVAK DATA SEQUENCE PFSPEATDLF TEQLRQSTND LIDARIELGE GDAATWLANE IPARLTAILL DATA SEQUENCE GLPPEDGDTY RRWVWAITHV ENPEEGAEIF AELVAHARTL IAERRTNPGN DATA SEQUENCE DIMSRVIMSK IDGESLSEDD LIGFFTILLL GGIDATARFL SSVFWRLAWD DATA SEQUENCE IELRRRLIAH PELIPNAVDE LLRFYGPAMV GRLVTQEVTV GDITMKPGQT DATA SEQUENCE AMLWFPIASR DRSAFDSPDN IVIERTPNRH LSLGHGIHRC LGAHLIRVEA DATA SEQUENCE RVAITEFLKR IPEFSLDPNK ECEWLMGQVA GMLHVPIIFP KGKRLSE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.749 174.700 0.081 0.000 1.109 8 T CA 0.000 62.138 62.100 0.063 0.000 1.349 8 T CB 0.000 68.901 68.868 0.055 0.000 0.612 9 S N 0.612 116.376 115.700 0.106 0.000 2.537 9 S HA 0.652 5.121 4.470 -0.001 0.000 0.301 9 S C 0.958 175.639 174.600 0.135 0.000 1.092 9 S CA -0.687 57.603 58.200 0.149 0.000 1.048 9 S CB 1.087 64.415 63.200 0.214 0.000 1.053 9 S HN 0.333 nan 8.310 nan 0.000 0.501 10 L N 3.140 124.412 121.223 0.080 0.000 2.465 10 L HA 0.084 4.423 4.340 -0.001 0.000 0.224 10 L C 1.284 178.136 176.870 -0.031 0.000 1.145 10 L CA 0.778 55.633 54.840 0.024 0.000 0.834 10 L CB -0.400 41.603 42.059 -0.093 0.000 0.944 10 L HN 0.691 nan 8.230 nan 0.000 0.451 11 F N -0.235 119.697 119.950 -0.029 0.000 2.259 11 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 11 F C 2.579 178.338 175.800 -0.068 0.000 1.088 11 F CA 1.187 59.127 58.000 -0.100 0.000 1.358 11 F CB -0.860 38.081 39.000 -0.097 0.000 1.040 11 F HN -0.031 nan 8.300 nan 0.000 0.505 12 T N -1.038 113.630 114.554 0.191 0.000 2.721 12 T HA -0.232 4.117 4.350 -0.001 0.000 0.268 12 T C 1.676 176.415 174.700 0.064 0.000 1.038 12 T CA 2.091 64.260 62.100 0.114 0.000 1.145 12 T CB -0.693 68.244 68.868 0.115 0.000 0.858 12 T HN 0.387 nan 8.240 nan 0.000 0.459 13 T N -1.191 113.413 114.554 0.082 0.000 3.228 13 T HA 0.679 5.028 4.350 -0.001 0.000 0.278 13 T C 0.346 175.131 174.700 0.140 0.000 1.014 13 T CA -0.202 61.944 62.100 0.076 0.000 0.904 13 T CB 0.067 68.966 68.868 0.052 0.000 1.110 13 T HN 0.349 nan 8.240 nan 0.000 0.541 14 A N 1.611 124.524 122.820 0.156 0.000 2.520 14 A HA 0.484 4.804 4.320 -0.001 0.000 0.245 14 A C 0.059 177.945 177.584 0.503 0.000 1.072 14 A CA -0.124 52.076 52.037 0.272 0.000 0.761 14 A CB 0.031 18.963 19.000 -0.114 0.000 1.004 14 A HN 0.487 nan 8.150 nan 0.000 0.499 15 D N 0.820 121.656 120.400 0.727 0.000 2.613 15 D HA 0.117 4.756 4.640 -0.001 0.000 0.230 15 D C 0.909 177.638 176.300 0.716 0.000 1.365 15 D CA -0.407 54.042 54.000 0.749 0.000 0.976 15 D CB 0.539 41.593 40.800 0.423 0.000 1.415 15 D HN 0.657 nan 8.370 nan 0.000 0.589 16 H N 2.552 121.980 119.070 0.597 0.000 2.489 16 H HA -0.120 4.435 4.556 -0.001 0.000 0.293 16 H C 0.421 175.747 175.328 -0.005 0.000 1.066 16 H CA 0.906 57.003 56.048 0.081 0.000 1.305 16 H CB -0.202 29.425 29.762 -0.224 0.000 1.386 16 H HN 0.431 nan 8.280 nan 0.000 0.551 17 Y N 0.916 121.111 120.300 -0.175 0.000 2.511 17 Y HA 0.088 4.637 4.550 -0.002 0.000 0.279 17 Y C 0.599 176.137 175.900 -0.603 0.000 1.157 17 Y CA 0.337 58.243 58.100 -0.323 0.000 1.300 17 Y CB 0.481 38.713 38.460 -0.379 0.000 1.052 17 Y HN 0.317 nan 8.280 nan 0.000 0.529 18 H N -0.369 118.817 119.070 0.195 0.000 2.514 18 H HA 0.204 4.759 4.556 -0.002 0.000 0.226 18 H C -0.254 175.100 175.328 0.044 0.000 1.421 18 H CA -0.286 55.824 56.048 0.102 0.000 1.394 18 H CB 0.229 30.023 29.762 0.053 0.000 1.701 18 H HN 0.022 nan 8.280 nan 0.000 0.515 19 T N -0.219 114.388 114.554 0.088 0.000 2.743 19 T HA 0.320 4.669 4.350 -0.001 0.000 0.293 19 T C -2.592 171.961 174.700 -0.246 0.000 0.945 19 T CA -2.012 60.053 62.100 -0.057 0.000 1.030 19 T CB 1.522 70.521 68.868 0.218 0.000 0.912 19 T HN 0.021 nan 8.240 nan 0.000 0.483 20 P HA 0.115 nan 4.420 nan 0.000 0.262 20 P C -0.505 176.643 177.300 -0.253 0.000 1.182 20 P CA -0.032 62.871 63.100 -0.329 0.000 0.761 20 P CB 0.318 31.778 31.700 -0.400 0.000 0.795 21 L N 2.856 123.963 121.223 -0.194 0.000 2.307 21 L HA 0.503 4.843 4.340 -0.001 0.000 0.282 21 L C 1.363 178.138 176.870 -0.158 0.000 1.051 21 L CA -0.412 54.290 54.840 -0.230 0.000 0.804 21 L CB 1.197 43.133 42.059 -0.204 0.000 1.197 21 L HN 0.445 nan 8.230 nan 0.000 0.431 22 G N 1.963 110.662 108.800 -0.168 0.000 2.563 22 G HA2 0.297 4.256 3.960 -0.001 0.000 0.283 22 G HA3 0.297 4.256 3.960 -0.001 0.000 0.283 22 G C -1.514 173.342 174.900 -0.073 0.000 1.309 22 G CA -0.750 44.295 45.100 -0.092 0.000 1.022 22 G HN 0.532 nan 8.290 nan 0.000 0.501 23 P HA -0.069 nan 4.420 nan 0.000 0.222 23 P C 0.621 177.906 177.300 -0.026 0.000 1.147 23 P CA 1.304 64.385 63.100 -0.032 0.000 0.790 23 P CB 0.128 31.812 31.700 -0.026 0.000 0.780 24 D N -1.253 119.136 120.400 -0.019 0.000 2.340 24 D HA 0.083 4.722 4.640 -0.001 0.000 0.220 24 D C 1.456 177.798 176.300 0.070 0.000 1.039 24 D CA 0.542 54.570 54.000 0.045 0.000 0.866 24 D CB -0.897 39.959 40.800 0.093 0.000 0.913 24 D HN 0.262 nan 8.370 nan 0.000 0.523 25 G N 0.088 108.850 108.800 -0.063 0.000 2.157 25 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.248 25 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.248 25 G C 0.420 175.095 174.900 -0.375 0.000 0.979 25 G CA 0.683 45.701 45.100 -0.138 0.000 0.650 25 G HN 0.852 nan 8.290 nan 0.000 0.529 26 T N -2.982 111.250 114.554 -0.536 0.000 2.926 26 T HA 0.792 5.141 4.350 -0.001 0.000 0.289 26 T C -2.135 171.997 174.700 -0.945 0.000 1.054 26 T CA -1.084 60.354 62.100 -1.104 0.000 1.015 26 T CB 3.180 71.335 68.868 -1.188 0.000 1.167 26 T HN -0.039 nan 8.240 nan 0.000 0.526 27 P HA 0.194 nan 4.420 nan 0.000 0.256 27 P C 0.686 177.531 177.300 -0.759 0.000 1.384 27 P CA 0.158 62.730 63.100 -0.879 0.000 0.879 27 P CB -0.479 30.604 31.700 -1.029 0.000 1.403 28 H N 0.036 118.732 119.070 -0.623 0.000 2.423 28 H HA 0.004 4.560 4.556 -0.001 0.000 0.297 28 H C 2.105 177.348 175.328 -0.142 0.000 1.075 28 H CA 0.754 56.590 56.048 -0.354 0.000 1.342 28 H CB 0.082 29.745 29.762 -0.165 0.000 1.395 28 H HN 0.173 nan 8.280 nan 0.000 0.530 29 A N 1.277 124.111 122.820 0.024 0.000 1.902 29 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 29 A C 2.090 179.730 177.584 0.094 0.000 1.181 29 A CA 1.284 53.356 52.037 0.058 0.000 0.623 29 A CB -0.800 18.225 19.000 0.041 0.000 0.818 29 A HN 0.445 nan 8.150 nan 0.000 0.443 30 F N -0.057 119.848 119.950 -0.075 0.000 2.134 30 F HA -0.109 4.417 4.527 -0.001 0.000 0.299 30 F C 1.970 177.865 175.800 0.158 0.000 1.097 30 F CA 1.254 59.256 58.000 0.003 0.000 1.264 30 F CB -0.541 38.441 39.000 -0.029 0.000 1.001 30 F HN 0.272 nan 8.300 nan 0.000 0.479 31 F N 0.681 120.572 119.950 -0.098 0.000 2.171 31 F HA -0.201 4.326 4.527 -0.000 0.000 0.300 31 F C 2.352 178.018 175.800 -0.223 0.000 1.090 31 F CA 1.087 58.951 58.000 -0.226 0.000 1.293 31 F CB -0.462 38.468 39.000 -0.116 0.000 1.013 31 F HN 0.050 nan 8.300 nan 0.000 0.486 32 E N 0.443 120.671 120.200 0.046 0.000 2.150 32 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 32 E C 2.258 178.839 176.600 -0.031 0.000 0.985 32 E CA 0.896 57.298 56.400 0.003 0.000 0.814 32 E CB -0.172 29.546 29.700 0.030 0.000 0.752 32 E HN 0.367 nan 8.360 nan 0.000 0.466 33 A N 0.861 123.651 122.820 -0.052 0.000 1.929 33 A HA -0.102 4.217 4.320 -0.001 0.000 0.216 33 A C 2.097 179.585 177.584 -0.160 0.000 1.176 33 A CA 0.709 52.707 52.037 -0.065 0.000 0.628 33 A CB -0.342 18.649 19.000 -0.014 0.000 0.816 33 A HN 0.217 nan 8.150 nan 0.000 0.444 34 L N -0.141 120.886 121.223 -0.325 0.000 2.093 34 L HA -0.068 4.271 4.340 -0.001 0.000 0.208 34 L C 2.398 179.094 176.870 -0.290 0.000 1.085 34 L CA 1.883 56.441 54.840 -0.471 0.000 0.755 34 L CB -0.611 40.984 42.059 -0.774 0.000 0.904 34 L HN 0.401 nan 8.230 nan 0.000 0.435 35 R N 0.053 120.450 120.500 -0.171 0.000 2.083 35 R HA -0.185 4.155 4.340 -0.001 0.000 0.237 35 R C 1.737 178.019 176.300 -0.030 0.000 1.137 35 R CA 2.098 58.155 56.100 -0.071 0.000 0.951 35 R CB -0.783 29.496 30.300 -0.034 0.000 0.851 35 R HN 0.414 nan 8.270 nan 0.000 0.434 36 D N 0.523 120.904 120.400 -0.032 0.000 2.123 36 D HA -0.183 4.457 4.640 -0.001 0.000 0.196 36 D C 1.785 178.091 176.300 0.011 0.000 0.992 36 D CA 1.307 55.306 54.000 -0.002 0.000 0.833 36 D CB -0.233 40.567 40.800 -0.001 0.000 0.954 36 D HN 0.494 nan 8.370 nan 0.000 0.455 37 E N 0.342 120.536 120.200 -0.010 0.000 2.106 37 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 37 E C 1.961 178.641 176.600 0.133 0.000 0.984 37 E CA 0.875 57.306 56.400 0.051 0.000 0.806 37 E CB -0.004 29.709 29.700 0.022 0.000 0.750 37 E HN 0.164 nan 8.360 nan 0.000 0.458 38 A N 1.124 124.016 122.820 0.119 0.000 2.076 38 A HA -0.230 4.090 4.320 -0.001 0.000 0.220 38 A C 1.781 179.432 177.584 0.112 0.000 1.160 38 A CA 1.516 53.668 52.037 0.192 0.000 0.653 38 A CB -0.506 18.583 19.000 0.148 0.000 0.801 38 A HN 0.354 nan 8.150 nan 0.000 0.455 39 E N -1.002 119.242 120.200 0.075 0.000 2.204 39 E HA -0.123 4.227 4.350 -0.001 0.000 0.195 39 E C 1.609 178.238 176.600 0.048 0.000 0.990 39 E CA 1.529 57.961 56.400 0.054 0.000 0.821 39 E CB -0.142 29.583 29.700 0.041 0.000 0.750 39 E HN 0.644 nan 8.360 nan 0.000 0.477 40 T N -0.532 114.058 114.554 0.060 0.000 3.042 40 T HA 0.031 4.380 4.350 -0.001 0.000 0.245 40 T C 0.645 175.368 174.700 0.039 0.000 1.029 40 T CA 0.570 62.698 62.100 0.046 0.000 1.120 40 T CB 0.560 69.457 68.868 0.050 0.000 0.917 40 T HN -0.057 nan 8.240 nan 0.000 0.467 41 T N 3.461 118.056 114.554 0.068 0.000 3.068 41 T HA 0.268 4.618 4.350 -0.001 0.000 0.364 41 T C -2.178 172.534 174.700 0.019 0.000 1.161 41 T CA -1.120 60.981 62.100 0.002 0.000 1.155 41 T CB 2.092 70.940 68.868 -0.033 0.000 1.060 41 T HN 0.031 nan 8.240 nan 0.000 0.513 42 P HA 0.148 nan 4.420 nan 0.000 0.229 42 P C 0.056 177.333 177.300 -0.038 0.000 1.160 42 P CA 0.419 63.549 63.100 0.051 0.000 0.777 42 P CB 0.571 32.287 31.700 0.027 0.000 0.814 43 I N -0.375 120.055 120.570 -0.233 0.000 2.447 43 I HA 0.528 4.698 4.170 -0.001 0.000 0.287 43 I C 0.219 176.030 176.117 -0.511 0.000 1.023 43 I CA -0.753 60.375 61.300 -0.286 0.000 1.083 43 I CB 2.267 40.138 38.000 -0.215 0.000 1.245 43 I HN -0.167 nan 8.210 nan 0.000 0.434 44 G N 4.943 113.285 108.800 -0.763 0.000 2.605 44 G HA2 0.351 4.311 3.960 -0.001 0.000 0.296 44 G HA3 0.351 4.311 3.960 -0.001 0.000 0.296 44 G C -2.043 172.874 174.900 0.028 0.000 1.304 44 G CA -0.495 44.208 45.100 -0.661 0.000 0.941 44 G HN 0.565 nan 8.290 nan 0.000 0.475 45 W N 1.740 122.965 121.300 -0.125 0.000 2.351 45 W HA 0.588 5.247 4.660 -0.001 0.000 0.311 45 W C -0.397 175.985 176.519 -0.229 0.000 1.168 45 W CA -0.525 56.606 57.345 -0.358 0.000 1.200 45 W CB 1.805 30.983 29.460 -0.470 0.000 1.221 45 W HN 0.476 nan 8.180 nan 0.000 0.519 46 S N 3.644 118.742 115.700 -1.004 0.000 2.472 46 S HA 0.216 4.685 4.470 -0.001 0.000 0.303 46 S C 0.432 174.603 174.600 -0.715 0.000 1.099 46 S CA -0.450 57.373 58.200 -0.628 0.000 1.077 46 S CB 1.709 64.585 63.200 -0.539 0.000 1.031 46 S HN 0.619 nan 8.310 nan 0.000 0.487 47 E N 2.144 122.210 120.200 -0.222 0.000 2.481 47 E HA 0.179 4.529 4.350 -0.001 0.000 0.195 47 E C 0.759 177.354 176.600 -0.009 0.000 1.047 47 E CA -0.017 56.352 56.400 -0.053 0.000 0.867 47 E CB 0.254 29.989 29.700 0.057 0.000 0.858 47 E HN 0.705 nan 8.360 nan 0.000 0.513 48 A N 0.103 122.938 122.820 0.024 0.000 2.425 48 A HA 0.094 4.413 4.320 -0.001 0.000 0.242 48 A C -0.387 177.251 177.584 0.091 0.000 1.077 48 A CA -0.060 51.955 52.037 -0.037 0.000 0.781 48 A CB -0.258 18.739 19.000 -0.006 0.000 1.020 48 A HN 0.423 nan 8.150 nan 0.000 0.494 49 Y N -0.522 119.808 120.300 0.050 0.000 4.079 49 Y HA -0.266 4.283 4.550 -0.001 0.000 0.223 49 Y C 1.630 177.573 175.900 0.071 0.000 1.155 49 Y CA 1.321 59.396 58.100 -0.041 0.000 1.805 49 Y CB -1.609 36.727 38.460 -0.206 0.000 1.571 49 Y HN 2.127 nan 8.280 nan 0.000 0.654 50 G N -1.652 107.229 108.800 0.134 0.000 2.176 50 G HA2 0.186 4.145 3.960 -0.001 0.000 0.253 50 G HA3 0.186 4.145 3.960 -0.001 0.000 0.253 50 G C 0.609 175.635 174.900 0.210 0.000 0.979 50 G CA 0.500 45.694 45.100 0.156 0.000 0.641 50 G HN 2.033 nan 8.290 nan 0.000 0.530 51 G N -0.100 108.806 108.800 0.176 0.000 3.363 51 G HA2 0.593 4.552 3.960 -0.001 0.000 0.685 51 G HA3 0.593 4.552 3.960 -0.001 0.000 0.685 51 G C -0.714 173.907 174.900 -0.464 0.000 1.199 51 G CA 0.371 45.418 45.100 -0.090 0.000 0.946 51 G HN 2.613 nan 8.290 nan 0.000 0.558 52 H N -0.689 117.480 119.070 -1.502 0.000 2.967 52 H HA 0.583 5.139 4.556 -0.001 0.000 0.318 52 H C -1.355 173.253 175.328 -1.199 0.000 1.375 52 H CA -1.714 53.657 56.048 -1.129 0.000 1.132 52 H CB 0.539 30.063 29.762 -0.397 0.000 1.848 52 H HN 0.573 nan 8.280 nan 0.000 0.524 53 W N 1.006 122.086 121.300 -0.367 0.000 2.316 53 W HA 0.514 5.174 4.660 -0.001 0.000 0.311 53 W C -0.260 176.154 176.519 -0.174 0.000 1.217 53 W CA -0.786 56.437 57.345 -0.204 0.000 1.199 53 W CB 1.557 31.034 29.460 0.028 0.000 1.202 53 W HN 0.239 nan 8.180 nan 0.000 0.528 54 V N 4.965 124.917 119.914 0.063 0.000 2.328 54 V HA 0.223 4.342 4.120 -0.001 0.000 0.278 54 V C -0.256 175.875 176.094 0.061 0.000 1.021 54 V CA -0.965 61.331 62.300 -0.007 0.000 0.838 54 V CB 0.914 32.630 31.823 -0.178 0.000 0.999 54 V HN 0.283 nan 8.190 nan 0.000 0.447 55 V N 4.880 124.833 119.914 0.065 0.000 2.348 55 V HA 0.485 4.604 4.120 -0.001 0.000 0.270 55 V C 0.926 177.069 176.094 0.081 0.000 1.037 55 V CA 0.364 62.685 62.300 0.035 0.000 0.872 55 V CB 0.844 32.641 31.823 -0.043 0.000 1.002 55 V HN 0.953 nan 8.190 nan 0.000 0.464 56 A N 3.826 126.720 122.820 0.124 0.000 2.108 56 A HA 0.525 4.844 4.320 -0.001 0.000 0.206 56 A C 1.363 179.019 177.584 0.120 0.000 1.212 56 A CA 0.588 52.702 52.037 0.128 0.000 0.843 56 A CB 0.018 19.097 19.000 0.132 0.000 0.902 56 A HN 0.842 nan 8.150 nan 0.000 0.477 57 G N -1.984 106.880 108.800 0.107 0.000 2.432 57 G HA2 0.309 4.268 3.960 -0.001 0.000 0.257 57 G HA3 0.309 4.268 3.960 -0.001 0.000 0.257 57 G C 0.417 175.399 174.900 0.137 0.000 1.238 57 G CA -0.162 45.009 45.100 0.117 0.000 0.838 57 G HN 0.290 nan 8.290 nan 0.000 0.547 58 Y N 1.850 122.182 120.300 0.055 0.000 2.097 58 Y HA -0.254 4.295 4.550 -0.001 0.000 0.282 58 Y C 2.837 178.739 175.900 0.004 0.000 1.152 58 Y CA 2.615 60.746 58.100 0.051 0.000 1.136 58 Y CB 0.145 38.633 38.460 0.046 0.000 0.975 58 Y HN 0.624 nan 8.280 nan 0.000 0.498 59 K N -0.182 120.343 120.400 0.207 0.000 2.147 59 K HA -0.209 4.111 4.320 -0.001 0.000 0.205 59 K C 1.525 178.113 176.600 -0.020 0.000 1.049 59 K CA 1.938 58.277 56.287 0.086 0.000 0.936 59 K CB -0.192 32.358 32.500 0.084 0.000 0.722 59 K HN 0.274 nan 8.250 nan 0.000 0.446 60 E N 1.195 121.383 120.200 -0.020 0.000 2.072 60 E HA -0.042 4.307 4.350 -0.001 0.000 0.190 60 E C 1.943 178.476 176.600 -0.112 0.000 0.982 60 E CA 1.240 57.602 56.400 -0.064 0.000 0.803 60 E CB -0.131 29.535 29.700 -0.058 0.000 0.755 60 E HN 0.344 nan 8.360 nan 0.000 0.453 61 I N 0.631 121.139 120.570 -0.103 0.000 2.286 61 I HA -0.306 3.864 4.170 -0.001 0.000 0.248 61 I C 2.361 178.389 176.117 -0.148 0.000 1.115 61 I CA 1.224 62.453 61.300 -0.118 0.000 1.392 61 I CB -0.209 37.769 38.000 -0.035 0.000 1.065 61 I HN 0.166 nan 8.210 nan 0.000 0.418 62 Q N 0.317 119.994 119.800 -0.205 0.000 2.167 62 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 62 Q C 2.383 178.325 176.000 -0.096 0.000 0.970 62 Q CA 1.403 57.089 55.803 -0.194 0.000 0.855 62 Q CB -0.038 28.529 28.738 -0.284 0.000 0.911 62 Q HN 0.570 nan 8.270 nan 0.000 0.438 63 A N -0.235 122.531 122.820 -0.090 0.000 1.898 63 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 63 A C 2.189 179.726 177.584 -0.078 0.000 1.181 63 A CA 1.118 53.122 52.037 -0.054 0.000 0.620 63 A CB -0.522 18.452 19.000 -0.043 0.000 0.819 63 A HN 0.219 nan 8.150 nan 0.000 0.442 64 V N 0.144 119.927 119.914 -0.218 0.000 2.270 64 V HA -0.241 3.879 4.120 -0.001 0.000 0.245 64 V C 2.401 178.317 176.094 -0.296 0.000 1.043 64 V CA 1.899 63.892 62.300 -0.512 0.000 1.014 64 V CB -0.601 30.724 31.823 -0.829 0.000 0.645 64 V HN 0.564 nan 8.190 nan 0.000 0.447 65 I N -0.344 120.131 120.570 -0.158 0.000 2.286 65 I HA -0.315 3.854 4.170 -0.001 0.000 0.248 65 I C 2.605 178.748 176.117 0.044 0.000 1.115 65 I CA 1.629 62.916 61.300 -0.022 0.000 1.392 65 I CB -0.178 37.854 38.000 0.054 0.000 1.065 65 I HN 0.449 nan 8.210 nan 0.000 0.418 66 Q N -0.238 119.590 119.800 0.046 0.000 2.297 66 Q HA -0.115 4.225 4.340 -0.001 0.000 0.204 66 Q C 0.772 176.814 176.000 0.070 0.000 0.962 66 Q CA 0.438 56.279 55.803 0.064 0.000 0.879 66 Q CB -0.073 28.704 28.738 0.065 0.000 0.947 66 Q HN 0.248 nan 8.270 nan 0.000 0.462 67 N N 0.811 119.575 118.700 0.107 0.000 2.807 67 N HA -0.015 4.724 4.740 -0.001 0.000 0.259 67 N C 0.336 175.971 175.510 0.208 0.000 1.149 67 N CA 0.143 53.297 53.050 0.173 0.000 1.042 67 N CB 0.655 39.317 38.487 0.291 0.000 1.367 67 N HN 0.133 nan 8.380 nan 0.000 0.516 68 T N -0.547 114.076 114.554 0.116 0.000 3.055 68 T HA 0.021 4.371 4.350 -0.001 0.000 0.265 68 T C 1.470 176.211 174.700 0.069 0.000 1.111 68 T CA 0.610 62.771 62.100 0.102 0.000 1.118 68 T CB 0.157 69.055 68.868 0.051 0.000 0.909 68 T HN 0.130 nan 8.240 nan 0.000 0.501 69 K N 1.937 122.363 120.400 0.043 0.000 2.057 69 K HA 0.226 4.545 4.320 -0.001 0.000 0.206 69 K C 2.527 179.098 176.600 -0.048 0.000 1.050 69 K CA 1.462 57.749 56.287 -0.000 0.000 0.935 69 K CB -0.794 31.701 32.500 -0.010 0.000 0.715 69 K HN 0.524 nan 8.250 nan 0.000 0.439 70 A N 0.034 122.797 122.820 -0.096 0.000 2.095 70 A HA 0.167 4.486 4.320 -0.001 0.000 0.212 70 A C 0.345 177.628 177.584 -0.502 0.000 1.162 70 A CA 0.135 51.972 52.037 -0.332 0.000 0.753 70 A CB 0.078 18.776 19.000 -0.504 0.000 0.840 70 A HN 0.131 nan 8.150 nan 0.000 0.468 71 F N 0.063 120.005 119.950 -0.012 0.000 2.427 71 F HA 0.502 5.028 4.527 -0.001 0.000 0.348 71 F C 0.493 176.283 175.800 -0.016 0.000 1.125 71 F CA -0.516 57.474 58.000 -0.018 0.000 0.989 71 F CB 1.914 40.900 39.000 -0.024 0.000 1.165 71 F HN -0.025 nan 8.300 nan 0.000 0.442 72 S N 1.743 117.521 115.700 0.130 0.000 2.565 72 S HA 0.301 4.771 4.470 -0.001 0.000 0.290 72 S C 0.614 175.226 174.600 0.020 0.000 1.150 72 S CA -0.620 57.620 58.200 0.066 0.000 1.058 72 S CB 0.839 64.060 63.200 0.034 0.000 1.032 72 S HN 0.649 nan 8.310 nan 0.000 0.510 73 N N 2.175 120.860 118.700 -0.025 0.000 2.449 73 N HA 0.160 4.899 4.740 -0.001 0.000 0.191 73 N C 1.097 176.561 175.510 -0.077 0.000 1.161 73 N CA 0.207 53.181 53.050 -0.128 0.000 0.863 73 N CB 0.079 38.378 38.487 -0.314 0.000 0.980 73 N HN 0.559 nan 8.380 nan 0.000 0.458 74 K N -0.797 119.588 120.400 -0.025 0.000 2.283 74 K HA 0.030 4.350 4.320 -0.001 0.000 0.202 74 K C 1.373 177.959 176.600 -0.022 0.000 1.048 74 K CA 0.872 57.151 56.287 -0.014 0.000 0.948 74 K CB 0.121 32.625 32.500 0.007 0.000 0.742 74 K HN 0.147 nan 8.250 nan 0.000 0.458 75 G N 0.424 109.205 108.800 -0.031 0.000 3.434 75 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.258 75 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.258 75 G C 1.020 175.873 174.900 -0.078 0.000 1.128 75 G CA -0.290 44.790 45.100 -0.032 0.000 0.792 75 G HN 0.095 nan 8.290 nan 0.000 0.539 76 V N 1.586 121.428 119.914 -0.121 0.000 2.324 76 V HA -0.068 4.052 4.120 -0.001 0.000 0.250 76 V C 1.647 177.615 176.094 -0.210 0.000 1.060 76 V CA 2.387 64.579 62.300 -0.180 0.000 1.042 76 V CB -0.277 31.421 31.823 -0.210 0.000 0.650 76 V HN 0.478 nan 8.190 nan 0.000 0.450 77 T N -2.003 112.420 114.554 -0.220 0.000 2.823 77 T HA 0.553 4.902 4.350 -0.001 0.000 0.279 77 T C -1.099 173.599 174.700 -0.004 0.000 0.998 77 T CA -0.516 61.415 62.100 -0.283 0.000 0.994 77 T CB 1.577 70.030 68.868 -0.691 0.000 0.960 77 T HN 0.313 nan 8.240 nan 0.000 0.448 78 F N 3.558 123.432 119.950 -0.128 0.000 2.839 78 F HA 0.494 5.020 4.527 -0.001 0.000 0.344 78 F C -3.011 172.726 175.800 -0.105 0.000 1.242 78 F CA -2.035 55.889 58.000 -0.125 0.000 1.091 78 F CB 1.785 40.677 39.000 -0.181 0.000 1.374 78 F HN 0.422 nan 8.300 nan 0.000 0.553 79 P HA 0.074 nan 4.420 nan 0.000 0.267 79 P C -0.756 176.536 177.300 -0.014 0.000 1.200 79 P CA -0.134 62.663 63.100 -0.506 0.000 0.772 79 P CB 0.579 31.978 31.700 -0.501 0.000 0.855 80 R N 2.483 122.984 120.500 0.002 0.000 2.585 80 R HA 0.016 4.355 4.340 -0.001 0.000 0.275 80 R C -0.067 176.313 176.300 0.133 0.000 1.018 80 R CA -0.002 56.127 56.100 0.049 0.000 1.072 80 R CB -0.042 30.268 30.300 0.017 0.000 0.953 80 R HN 0.361 nan 8.270 nan 0.000 0.419 81 Y N 1.864 122.103 120.300 -0.103 0.000 2.511 81 Y HA -0.054 4.495 4.550 -0.001 0.000 0.347 81 Y C 0.592 176.323 175.900 -0.281 0.000 1.257 81 Y CA -0.190 57.762 58.100 -0.247 0.000 1.469 81 Y CB 0.399 38.744 38.460 -0.191 0.000 1.353 81 Y HN 0.554 nan 8.280 nan 0.000 0.617 82 E N 0.954 121.003 120.200 -0.251 0.000 1.941 82 E HA 0.158 4.508 4.350 -0.001 0.000 0.275 82 E C -0.111 176.130 176.600 -0.598 0.000 1.113 82 E CA -0.133 56.088 56.400 -0.299 0.000 0.878 82 E CB -0.219 29.335 29.700 -0.243 0.000 1.070 82 E HN 0.567 nan 8.360 nan 0.000 0.399 83 T N 1.794 115.947 114.554 -0.669 0.000 3.331 83 T HA 0.506 4.855 4.350 -0.001 0.000 0.282 83 T C 1.015 175.270 174.700 -0.742 0.000 1.010 83 T CA -0.110 61.182 62.100 -1.348 0.000 0.928 83 T CB -0.011 68.529 68.868 -0.547 0.000 1.154 83 T HN 0.560 nan 8.240 nan 0.000 0.516 84 G N 2.685 111.264 108.800 -0.368 0.000 2.583 84 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.292 84 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.292 84 G C 0.532 175.423 174.900 -0.015 0.000 1.203 84 G CA 0.415 45.550 45.100 0.058 0.000 0.987 84 G HN 0.434 nan 8.290 nan 0.000 0.554 85 E N 0.571 120.715 120.200 -0.094 0.000 2.479 85 E HA 0.248 4.598 4.350 -0.001 0.000 0.193 85 E C 0.550 176.953 176.600 -0.328 0.000 1.049 85 E CA 0.072 56.318 56.400 -0.257 0.000 0.870 85 E CB 0.065 29.550 29.700 -0.359 0.000 0.944 85 E HN 0.334 nan 8.360 nan 0.000 0.492 86 F N 1.669 121.628 119.950 0.015 0.000 2.399 86 F HA 0.183 4.710 4.527 -0.001 0.000 0.342 86 F C 1.361 177.134 175.800 -0.045 0.000 1.106 86 F CA -0.365 57.642 58.000 0.010 0.000 1.196 86 F CB 0.763 39.820 39.000 0.096 0.000 1.163 86 F HN -0.282 nan 8.300 nan 0.000 0.547 87 E N 1.820 122.087 120.200 0.112 0.000 2.371 87 E HA 0.280 4.630 4.350 -0.001 0.000 0.257 87 E C -0.806 175.796 176.600 0.004 0.000 1.134 87 E CA -0.692 55.720 56.400 0.019 0.000 0.919 87 E CB 0.949 30.636 29.700 -0.023 0.000 1.025 87 E HN 0.465 nan 8.360 nan 0.000 0.438 88 L N 3.303 124.506 121.223 -0.033 0.000 2.295 88 L HA 0.147 4.486 4.340 -0.001 0.000 0.288 88 L C 0.197 177.004 176.870 -0.105 0.000 1.079 88 L CA -0.413 54.397 54.840 -0.050 0.000 0.830 88 L CB 0.357 42.383 42.059 -0.054 0.000 1.200 88 L HN 0.444 nan 8.230 nan 0.000 0.438 89 M N 5.341 124.825 119.600 -0.193 0.000 2.269 89 M HA 0.070 4.550 4.480 -0.001 0.000 0.350 89 M C 0.774 176.936 176.300 -0.230 0.000 1.429 89 M CA 1.064 56.136 55.300 -0.378 0.000 1.063 89 M CB -0.059 32.124 32.600 -0.695 0.000 1.841 89 M HN 0.760 nan 8.290 nan 0.000 0.455 90 M N 2.342 121.859 119.600 -0.138 0.000 2.813 90 M HA -0.410 4.069 4.480 -0.001 0.000 0.143 90 M C 1.264 177.720 176.300 0.260 0.000 0.703 90 M CA 2.039 57.374 55.300 0.059 0.000 0.548 90 M CB -2.157 30.433 32.600 -0.016 0.000 2.012 90 M HN 0.782 nan 8.290 nan 0.000 0.256 91 A N -0.137 122.749 122.820 0.111 0.000 1.978 91 A HA 0.111 4.430 4.320 -0.001 0.000 0.220 91 A C 1.927 179.479 177.584 -0.052 0.000 1.170 91 A CA 2.290 54.352 52.037 0.041 0.000 0.636 91 A CB -0.903 18.078 19.000 -0.032 0.000 0.810 91 A HN 0.883 nan 8.150 nan 0.000 0.448 92 G N -1.404 107.384 108.800 -0.019 0.000 3.284 92 G HA2 0.394 4.353 3.960 -0.001 0.000 0.236 92 G HA3 0.394 4.353 3.960 -0.001 0.000 0.236 92 G C 0.353 175.267 174.900 0.024 0.000 1.158 92 G CA -0.213 44.865 45.100 -0.037 0.000 0.774 92 G HN 0.583 nan 8.290 nan 0.000 0.545 93 Q N 0.149 120.024 119.800 0.124 0.000 2.351 93 Q HA 0.442 4.782 4.340 -0.001 0.000 0.273 93 Q C -1.287 174.865 176.000 0.254 0.000 1.077 93 Q CA -0.922 54.991 55.803 0.184 0.000 0.843 93 Q CB 2.038 30.911 28.738 0.226 0.000 1.367 93 Q HN 0.039 nan 8.270 nan 0.000 0.449 94 D N 0.320 120.830 120.400 0.182 0.000 2.326 94 D HA 0.257 4.896 4.640 -0.001 0.000 0.248 94 D C -0.852 175.534 176.300 0.143 0.000 1.001 94 D CA -0.440 53.642 54.000 0.137 0.000 0.961 94 D CB 1.146 41.998 40.800 0.087 0.000 1.183 94 D HN 0.314 nan 8.370 nan 0.000 0.502 95 D N 0.686 121.131 120.400 0.075 0.000 2.362 95 D HA 0.116 4.755 4.640 -0.001 0.000 0.242 95 D C -0.978 175.361 176.300 0.065 0.000 1.132 95 D CA -0.921 53.131 54.000 0.087 0.000 0.907 95 D CB 0.810 41.633 40.800 0.038 0.000 1.195 95 D HN 0.161 nan 8.370 nan 0.000 0.429 96 P HA 0.004 nan 4.420 nan 0.000 0.240 96 P C 1.302 178.641 177.300 0.064 0.000 1.190 96 P CA 0.140 63.273 63.100 0.054 0.000 0.781 96 P CB 0.523 32.236 31.700 0.022 0.000 0.931 97 V N 1.082 121.051 119.914 0.091 0.000 2.252 97 V HA -0.311 3.808 4.120 -0.001 0.000 0.249 97 V C 2.724 178.933 176.094 0.192 0.000 1.056 97 V CA 2.523 64.893 62.300 0.117 0.000 1.022 97 V CB -1.725 30.221 31.823 0.203 0.000 0.641 97 V HN 0.265 nan 8.190 nan 0.000 0.445 98 H N 0.736 119.888 119.070 0.136 0.000 2.289 98 H HA -0.272 4.283 4.556 -0.001 0.000 0.294 98 H C 2.381 177.768 175.328 0.098 0.000 1.095 98 H CA 2.624 58.758 56.048 0.143 0.000 1.256 98 H CB -0.202 29.611 29.762 0.085 0.000 1.359 98 H HN 0.367 nan 8.280 nan 0.000 0.487 99 K N 0.302 120.766 120.400 0.108 0.000 2.063 99 K HA -0.168 4.152 4.320 -0.001 0.000 0.208 99 K C 2.066 178.636 176.600 -0.051 0.000 1.048 99 K CA 1.732 58.026 56.287 0.013 0.000 0.928 99 K CB 0.051 32.596 32.500 0.074 0.000 0.713 99 K HN 0.324 nan 8.250 nan 0.000 0.442 100 K N -0.317 120.041 120.400 -0.070 0.000 2.057 100 K HA -0.173 4.146 4.320 -0.001 0.000 0.207 100 K C 2.217 178.743 176.600 -0.124 0.000 1.049 100 K CA 1.582 57.786 56.287 -0.138 0.000 0.931 100 K CB -0.408 31.942 32.500 -0.251 0.000 0.714 100 K HN 0.327 nan 8.250 nan 0.000 0.440 101 Y N 1.073 121.404 120.300 0.051 0.000 2.220 101 Y HA -0.114 4.436 4.550 -0.001 0.000 0.291 101 Y C 2.822 178.825 175.900 0.172 0.000 1.129 101 Y CA 1.016 59.219 58.100 0.171 0.000 1.161 101 Y CB -0.099 38.416 38.460 0.090 0.000 0.997 101 Y HN 0.037 nan 8.280 nan 0.000 0.522 102 R N 0.662 121.228 120.500 0.111 0.000 2.120 102 R HA -0.193 4.146 4.340 -0.001 0.000 0.234 102 R C 1.951 178.291 176.300 0.067 0.000 1.123 102 R CA 1.548 57.669 56.100 0.035 0.000 0.975 102 R CB -0.171 30.000 30.300 -0.216 0.000 0.866 102 R HN 0.425 nan 8.270 nan 0.000 0.446 103 Q N 0.162 119.982 119.800 0.034 0.000 2.297 103 Q HA -0.143 4.196 4.340 -0.001 0.000 0.208 103 Q C 2.017 178.044 176.000 0.045 0.000 0.981 103 Q CA 1.181 57.002 55.803 0.029 0.000 0.876 103 Q CB -0.014 28.727 28.738 0.004 0.000 0.921 103 Q HN 0.438 nan 8.270 nan 0.000 0.446 104 L N -0.051 121.215 121.223 0.071 0.000 2.201 104 L HA -0.088 4.252 4.340 -0.001 0.000 0.212 104 L C 1.890 178.759 176.870 -0.001 0.000 1.105 104 L CA 0.749 55.601 54.840 0.020 0.000 0.775 104 L CB -0.157 41.896 42.059 -0.010 0.000 0.913 104 L HN 0.193 nan 8.230 nan 0.000 0.440 105 V N -5.590 114.371 119.914 0.079 0.000 3.380 105 V HA 0.401 4.520 4.120 -0.001 0.000 0.307 105 V C 2.010 178.237 176.094 0.222 0.000 1.434 105 V CA 0.386 62.775 62.300 0.149 0.000 1.075 105 V CB -0.006 31.974 31.823 0.261 0.000 0.954 105 V HN 0.126 nan 8.190 nan 0.000 0.444 106 A N 1.449 124.353 122.820 0.140 0.000 1.883 106 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 106 A C 2.242 179.902 177.584 0.128 0.000 1.186 106 A CA 2.450 54.566 52.037 0.132 0.000 0.624 106 A CB -0.506 18.537 19.000 0.071 0.000 0.822 106 A HN 0.572 nan 8.150 nan 0.000 0.444 107 K N -0.326 120.118 120.400 0.074 0.000 2.009 107 K HA -0.128 4.191 4.320 -0.001 0.000 0.210 107 K C -0.844 175.769 176.600 0.021 0.000 1.049 107 K CA 1.681 57.992 56.287 0.040 0.000 0.929 107 K CB -0.825 31.683 32.500 0.014 0.000 0.714 107 K HN 0.400 nan 8.250 nan 0.000 0.440 108 P HA -0.145 nan 4.420 nan 0.000 0.225 108 P C 0.532 177.644 177.300 -0.313 0.000 1.148 108 P CA 1.221 64.227 63.100 -0.157 0.000 0.779 108 P CB 0.002 31.570 31.700 -0.220 0.000 0.780 109 F N 0.139 120.114 119.950 0.041 0.000 2.695 109 F HA 0.104 4.630 4.527 -0.001 0.000 0.303 109 F C 1.539 177.372 175.800 0.055 0.000 1.091 109 F CA -0.208 57.822 58.000 0.049 0.000 1.300 109 F CB -0.274 38.751 39.000 0.042 0.000 1.071 109 F HN -0.164 nan 8.300 nan 0.000 0.578 110 S N 0.146 115.929 115.700 0.137 0.000 2.579 110 S HA 0.097 4.567 4.470 -0.001 0.000 0.275 110 S C -1.681 172.929 174.600 0.016 0.000 1.345 110 S CA -1.014 57.227 58.200 0.068 0.000 1.031 110 S CB 0.888 64.104 63.200 0.027 0.000 0.892 110 S HN -0.100 nan 8.310 nan 0.000 0.529 111 P HA -0.182 nan 4.420 nan 0.000 0.215 111 P C 1.316 178.518 177.300 -0.164 0.000 1.163 111 P CA 1.639 64.480 63.100 -0.432 0.000 0.894 111 P CB -0.002 31.341 31.700 -0.594 0.000 0.791 112 E N -0.806 119.337 120.200 -0.095 0.000 2.070 112 E HA -0.210 4.139 4.350 -0.001 0.000 0.197 112 E C 2.093 178.697 176.600 0.007 0.000 1.004 112 E CA 1.442 57.821 56.400 -0.035 0.000 0.805 112 E CB -0.604 29.076 29.700 -0.032 0.000 0.744 112 E HN 0.166 nan 8.360 nan 0.000 0.451 113 A N 0.936 123.768 122.820 0.020 0.000 1.855 113 A HA -0.194 4.125 4.320 -0.001 0.000 0.215 113 A C 2.491 180.159 177.584 0.139 0.000 1.191 113 A CA 2.258 54.322 52.037 0.045 0.000 0.613 113 A CB -1.217 17.789 19.000 0.011 0.000 0.829 113 A HN 0.421 nan 8.150 nan 0.000 0.442 114 T N -2.240 112.412 114.554 0.163 0.000 2.788 114 T HA -0.166 4.184 4.350 -0.001 0.000 0.268 114 T C 1.360 176.261 174.700 0.336 0.000 1.044 114 T CA 1.538 63.804 62.100 0.277 0.000 1.139 114 T CB -0.566 68.447 68.868 0.243 0.000 0.867 114 T HN 0.341 nan 8.240 nan 0.000 0.454 115 D N 1.503 122.045 120.400 0.237 0.000 2.265 115 D HA -0.021 4.618 4.640 -0.001 0.000 0.208 115 D C 1.904 178.268 176.300 0.107 0.000 0.977 115 D CA 0.569 54.683 54.000 0.191 0.000 0.871 115 D CB -0.315 40.566 40.800 0.135 0.000 0.925 115 D HN 0.435 nan 8.370 nan 0.000 0.485 116 L N -0.680 120.568 121.223 0.041 0.000 2.450 116 L HA -0.125 4.215 4.340 -0.001 0.000 0.224 116 L C 1.441 178.119 176.870 -0.319 0.000 1.149 116 L CA 0.523 55.264 54.840 -0.165 0.000 0.816 116 L CB -0.302 41.578 42.059 -0.300 0.000 0.932 116 L HN -0.009 nan 8.230 nan 0.000 0.449 117 F N -1.382 118.573 119.950 0.008 0.000 2.695 117 F HA 0.044 4.571 4.527 -0.001 0.000 0.303 117 F C 2.289 178.096 175.800 0.013 0.000 1.091 117 F CA 0.108 58.111 58.000 0.005 0.000 1.300 117 F CB -0.470 38.530 39.000 -0.001 0.000 1.071 117 F HN -0.085 nan 8.300 nan 0.000 0.578 118 T N -0.079 114.568 114.554 0.155 0.000 2.570 118 T HA -0.303 4.046 4.350 -0.001 0.000 0.266 118 T C 1.844 176.588 174.700 0.073 0.000 1.071 118 T CA 2.081 64.244 62.100 0.105 0.000 1.172 118 T CB -0.278 68.638 68.868 0.079 0.000 0.864 118 T HN 0.107 nan 8.240 nan 0.000 0.421 119 E N 0.635 120.860 120.200 0.043 0.000 2.153 119 E HA -0.119 4.231 4.350 -0.001 0.000 0.194 119 E C 2.295 178.917 176.600 0.037 0.000 0.988 119 E CA 0.862 57.279 56.400 0.029 0.000 0.811 119 E CB -0.272 29.432 29.700 0.007 0.000 0.746 119 E HN 0.362 nan 8.360 nan 0.000 0.466 120 Q N -0.054 119.776 119.800 0.050 0.000 2.167 120 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 120 Q C 2.138 178.190 176.000 0.086 0.000 0.970 120 Q CA 0.844 56.689 55.803 0.069 0.000 0.855 120 Q CB -0.106 28.691 28.738 0.098 0.000 0.911 120 Q HN 0.394 nan 8.270 nan 0.000 0.438 121 L N 0.004 121.287 121.223 0.100 0.000 2.093 121 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 121 L C 2.845 179.744 176.870 0.049 0.000 1.085 121 L CA 1.062 55.948 54.840 0.076 0.000 0.755 121 L CB -0.320 41.784 42.059 0.076 0.000 0.904 121 L HN 0.172 nan 8.230 nan 0.000 0.435 122 R N -0.375 120.152 120.500 0.044 0.000 2.073 122 R HA -0.238 4.101 4.340 -0.001 0.000 0.234 122 R C 2.344 178.662 176.300 0.029 0.000 1.134 122 R CA 1.768 57.887 56.100 0.032 0.000 0.952 122 R CB -0.089 30.228 30.300 0.028 0.000 0.850 122 R HN 0.221 nan 8.270 nan 0.000 0.433 123 Q N -0.038 119.781 119.800 0.032 0.000 2.030 123 Q HA -0.160 4.179 4.340 -0.001 0.000 0.204 123 Q C 2.086 178.106 176.000 0.033 0.000 0.986 123 Q CA 2.354 58.174 55.803 0.029 0.000 0.843 123 Q CB -0.345 28.411 28.738 0.030 0.000 0.904 123 Q HN 0.244 nan 8.270 nan 0.000 0.420 124 S N -1.439 114.284 115.700 0.039 0.000 2.359 124 S HA -0.179 4.290 4.470 -0.001 0.000 0.224 124 S C 1.878 176.496 174.600 0.030 0.000 1.035 124 S CA 1.823 60.047 58.200 0.039 0.000 1.018 124 S CB -0.589 62.638 63.200 0.045 0.000 0.876 124 S HN 0.589 nan 8.310 nan 0.000 0.448 125 T N 2.644 117.212 114.554 0.023 0.000 2.746 125 T HA -0.049 4.301 4.350 -0.001 0.000 0.267 125 T C 1.827 176.536 174.700 0.014 0.000 1.039 125 T CA 1.361 63.466 62.100 0.008 0.000 1.142 125 T CB -0.505 68.371 68.868 0.013 0.000 0.866 125 T HN 0.425 nan 8.240 nan 0.000 0.444 126 N N 1.200 119.914 118.700 0.023 0.000 2.188 126 N HA -0.098 4.642 4.740 -0.001 0.000 0.184 126 N C 1.520 177.057 175.510 0.045 0.000 1.018 126 N CA 1.063 54.129 53.050 0.026 0.000 0.858 126 N CB -0.316 38.183 38.487 0.019 0.000 0.989 126 N HN 0.387 nan 8.380 nan 0.000 0.426 127 D N 1.070 121.498 120.400 0.047 0.000 2.117 127 D HA -0.078 4.561 4.640 -0.001 0.000 0.197 127 D C 2.223 178.579 176.300 0.093 0.000 0.987 127 D CA 0.432 54.468 54.000 0.060 0.000 0.829 127 D CB -0.293 40.537 40.800 0.050 0.000 0.961 127 D HN 0.232 nan 8.370 nan 0.000 0.460 128 L N 0.443 121.721 121.223 0.091 0.000 2.017 128 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 128 L C 2.551 179.614 176.870 0.322 0.000 1.073 128 L CA 0.816 55.745 54.840 0.149 0.000 0.745 128 L CB -0.312 41.764 42.059 0.027 0.000 0.894 128 L HN 0.003 nan 8.230 nan 0.000 0.432 129 I N -0.287 120.401 120.570 0.197 0.000 2.286 129 I HA -0.306 3.863 4.170 -0.001 0.000 0.248 129 I C 2.027 178.349 176.117 0.342 0.000 1.115 129 I CA 1.092 62.579 61.300 0.311 0.000 1.392 129 I CB -0.425 37.622 38.000 0.079 0.000 1.065 129 I HN 0.275 nan 8.210 nan 0.000 0.418 130 D N 1.121 121.634 120.400 0.188 0.000 2.190 130 D HA -0.195 4.445 4.640 -0.001 0.000 0.200 130 D C 2.245 178.611 176.300 0.111 0.000 0.992 130 D CA 1.514 55.587 54.000 0.122 0.000 0.854 130 D CB -0.159 40.687 40.800 0.077 0.000 0.936 130 D HN 0.394 nan 8.370 nan 0.000 0.462 131 A N 0.403 123.312 122.820 0.150 0.000 1.972 131 A HA -0.137 4.182 4.320 -0.001 0.000 0.219 131 A C 1.942 179.467 177.584 -0.099 0.000 1.169 131 A CA 1.244 53.308 52.037 0.045 0.000 0.635 131 A CB -0.081 18.967 19.000 0.080 0.000 0.810 131 A HN 0.181 nan 8.150 nan 0.000 0.446 132 R N -1.841 118.554 120.500 -0.175 0.000 2.531 132 R HA 0.378 4.717 4.340 -0.001 0.000 0.316 132 R C 1.462 177.722 176.300 -0.066 0.000 0.955 132 R CA 0.086 55.957 56.100 -0.382 0.000 1.120 132 R CB -0.059 29.531 30.300 -1.183 0.000 1.361 132 R HN 0.522 nan 8.270 nan 0.000 0.534 133 I N 1.898 122.539 120.570 0.119 0.000 2.286 133 I HA -0.239 3.930 4.170 -0.001 0.000 0.248 133 I C 1.313 177.564 176.117 0.223 0.000 1.115 133 I CA 1.707 63.164 61.300 0.262 0.000 1.392 133 I CB 0.256 38.347 38.000 0.152 0.000 1.065 133 I HN 0.207 nan 8.210 nan 0.000 0.418 134 E N 0.254 120.502 120.200 0.079 0.000 2.418 134 E HA -0.111 4.238 4.350 -0.001 0.000 0.197 134 E C 1.994 178.576 176.600 -0.030 0.000 1.026 134 E CA 0.581 56.998 56.400 0.028 0.000 0.862 134 E CB 0.095 29.797 29.700 0.003 0.000 0.799 134 E HN 0.568 nan 8.360 nan 0.000 0.518 135 L N -0.791 120.392 121.223 -0.067 0.000 2.375 135 L HA 0.147 4.486 4.340 -0.001 0.000 0.215 135 L C 1.731 178.406 176.870 -0.325 0.000 1.108 135 L CA 0.535 55.274 54.840 -0.169 0.000 0.830 135 L CB -0.142 41.800 42.059 -0.195 0.000 0.959 135 L HN 0.268 nan 8.230 nan 0.000 0.457 136 G N 0.994 109.442 108.800 -0.587 0.000 2.184 136 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.264 136 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.264 136 G C 0.044 174.147 174.900 -1.327 0.000 0.975 136 G CA 0.758 45.179 45.100 -1.133 0.000 0.642 136 G HN 0.544 nan 8.290 nan 0.000 0.536 137 E N -1.698 117.956 120.200 -0.910 0.000 2.423 137 E HA 0.781 5.130 4.350 -0.001 0.000 0.280 137 E C -0.116 176.417 176.600 -0.112 0.000 1.030 137 E CA -0.281 55.892 56.400 -0.379 0.000 0.812 137 E CB 1.151 30.723 29.700 -0.214 0.000 1.313 137 E HN 1.737 nan 8.360 nan 0.000 0.456 138 G N 0.250 109.102 108.800 0.087 0.000 2.361 138 G HA2 0.357 4.316 3.960 -0.001 0.000 0.299 138 G HA3 0.357 4.316 3.960 -0.001 0.000 0.299 138 G C -1.941 173.117 174.900 0.262 0.000 1.544 138 G CA -0.721 44.412 45.100 0.055 0.000 0.860 138 G HN 0.606 nan 8.290 nan 0.000 0.610 139 D N 0.843 121.384 120.400 0.235 0.000 2.380 139 D HA 0.515 5.155 4.640 -0.001 0.000 0.230 139 D C 1.405 177.835 176.300 0.216 0.000 1.154 139 D CA 0.321 54.449 54.000 0.212 0.000 0.859 139 D CB 1.476 42.368 40.800 0.153 0.000 1.045 139 D HN 0.591 nan 8.370 nan 0.000 0.495 140 A N 4.028 126.898 122.820 0.082 0.000 1.978 140 A HA -0.077 4.242 4.320 -0.001 0.000 0.220 140 A C 2.048 179.439 177.584 -0.322 0.000 1.170 140 A CA 1.816 53.645 52.037 -0.346 0.000 0.636 140 A CB -0.310 18.271 19.000 -0.698 0.000 0.810 140 A HN 0.634 nan 8.150 nan 0.000 0.448 141 A N -0.177 122.581 122.820 -0.103 0.000 1.845 141 A HA -0.109 4.210 4.320 -0.001 0.000 0.215 141 A C 2.520 180.040 177.584 -0.107 0.000 1.195 141 A CA 2.690 54.672 52.037 -0.091 0.000 0.616 141 A CB -1.441 17.500 19.000 -0.099 0.000 0.832 141 A HN 0.789 nan 8.150 nan 0.000 0.443 142 T N -4.482 110.015 114.554 -0.094 0.000 2.857 142 T HA -0.179 4.170 4.350 -0.001 0.000 0.266 142 T C 1.684 176.410 174.700 0.043 0.000 1.048 142 T CA 1.583 63.645 62.100 -0.063 0.000 1.139 142 T CB -0.435 68.384 68.868 -0.081 0.000 0.874 142 T HN 0.636 nan 8.240 nan 0.000 0.455 143 W N 1.666 122.890 121.300 -0.126 0.000 2.409 143 W HA 0.294 4.953 4.660 -0.002 0.000 0.299 143 W C 1.540 177.985 176.519 -0.124 0.000 1.203 143 W CA 0.528 57.807 57.345 -0.111 0.000 1.298 143 W CB -0.443 28.955 29.460 -0.103 0.000 1.127 143 W HN 0.284 nan 8.180 nan 0.000 0.528 144 L N -0.785 120.182 121.223 -0.427 0.000 2.614 144 L HA 0.269 4.608 4.340 -0.001 0.000 0.185 144 L C 2.578 179.331 176.870 -0.196 0.000 1.098 144 L CA 0.752 55.279 54.840 -0.522 0.000 0.852 144 L CB -1.374 40.073 42.059 -1.020 0.000 1.213 144 L HN -0.159 nan 8.230 nan 0.000 0.491 145 A N 0.827 123.583 122.820 -0.106 0.000 1.908 145 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 145 A C 1.930 179.499 177.584 -0.024 0.000 1.181 145 A CA 2.244 54.299 52.037 0.030 0.000 0.627 145 A CB -0.623 18.423 19.000 0.075 0.000 0.818 145 A HN 0.452 nan 8.150 nan 0.000 0.445 146 N N -0.158 118.513 118.700 -0.049 0.000 2.135 146 N HA -0.089 4.650 4.740 -0.001 0.000 0.186 146 N C 1.648 177.144 175.510 -0.023 0.000 1.027 146 N CA 1.365 54.392 53.050 -0.038 0.000 0.849 146 N CB -0.372 38.084 38.487 -0.053 0.000 1.002 146 N HN 0.439 nan 8.380 nan 0.000 0.425 147 E N 0.803 120.986 120.200 -0.028 0.000 2.106 147 E HA -0.041 4.309 4.350 -0.001 0.000 0.192 147 E C 2.203 178.799 176.600 -0.008 0.000 0.984 147 E CA 0.330 56.723 56.400 -0.011 0.000 0.806 147 E CB -0.247 29.451 29.700 -0.003 0.000 0.750 147 E HN 0.403 nan 8.360 nan 0.000 0.458 148 I N 1.807 122.364 120.570 -0.022 0.000 2.099 148 I HA -0.231 3.938 4.170 -0.001 0.000 0.239 148 I C -0.487 175.626 176.117 -0.006 0.000 1.066 148 I CA 1.532 62.825 61.300 -0.013 0.000 1.324 148 I CB -1.400 36.590 38.000 -0.017 0.000 1.037 148 I HN 0.111 nan 8.210 nan 0.000 0.401 149 P HA -0.127 nan 4.420 nan 0.000 0.219 149 P C 1.320 178.613 177.300 -0.013 0.000 1.150 149 P CA 1.854 64.949 63.100 -0.008 0.000 0.814 149 P CB 0.035 31.737 31.700 0.003 0.000 0.787 150 A N 0.885 123.707 122.820 0.003 0.000 1.873 150 A HA -0.137 4.182 4.320 -0.001 0.000 0.215 150 A C 2.454 180.055 177.584 0.028 0.000 1.186 150 A CA 1.135 53.186 52.037 0.024 0.000 0.616 150 A CB -1.060 17.976 19.000 0.060 0.000 0.823 150 A HN 0.036 nan 8.150 nan 0.000 0.442 151 R N -1.158 119.359 120.500 0.029 0.000 2.081 151 R HA -0.101 4.239 4.340 -0.001 0.000 0.235 151 R C 2.114 178.416 176.300 0.004 0.000 1.131 151 R CA 1.430 57.551 56.100 0.035 0.000 0.960 151 R CB -0.577 29.744 30.300 0.036 0.000 0.856 151 R HN 0.496 nan 8.270 nan 0.000 0.436 152 L N 0.791 122.000 121.223 -0.024 0.000 2.056 152 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 152 L C 1.939 178.727 176.870 -0.137 0.000 1.078 152 L CA 1.948 56.739 54.840 -0.081 0.000 0.749 152 L CB -0.721 41.280 42.059 -0.096 0.000 0.901 152 L HN 0.041 nan 8.230 nan 0.000 0.433 153 T N 0.087 114.577 114.554 -0.107 0.000 2.720 153 T HA -0.176 4.173 4.350 -0.001 0.000 0.268 153 T C 1.929 176.535 174.700 -0.156 0.000 1.037 153 T CA 1.359 63.382 62.100 -0.128 0.000 1.144 153 T CB -0.585 68.213 68.868 -0.115 0.000 0.864 153 T HN 0.538 nan 8.240 nan 0.000 0.444 154 A N 1.387 124.126 122.820 -0.134 0.000 1.883 154 A HA -0.059 4.260 4.320 -0.001 0.000 0.217 154 A C 2.298 179.851 177.584 -0.051 0.000 1.186 154 A CA 1.349 53.314 52.037 -0.121 0.000 0.624 154 A CB -0.836 18.167 19.000 0.005 0.000 0.822 154 A HN 0.531 nan 8.150 nan 0.000 0.444 155 I N -0.258 120.294 120.570 -0.030 0.000 2.286 155 I HA -0.262 3.907 4.170 -0.001 0.000 0.248 155 I C 2.320 178.423 176.117 -0.024 0.000 1.115 155 I CA 1.064 62.371 61.300 0.012 0.000 1.392 155 I CB -0.363 37.678 38.000 0.070 0.000 1.065 155 I HN 0.318 nan 8.210 nan 0.000 0.418 156 L N 0.118 121.257 121.223 -0.141 0.000 2.093 156 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 156 L C 2.254 179.079 176.870 -0.074 0.000 1.085 156 L CA 1.299 56.035 54.840 -0.173 0.000 0.755 156 L CB -0.363 41.536 42.059 -0.266 0.000 0.904 156 L HN 0.292 nan 8.230 nan 0.000 0.435 157 L N -0.642 120.544 121.223 -0.061 0.000 2.558 157 L HA 0.178 4.517 4.340 -0.001 0.000 0.225 157 L C 1.252 178.157 176.870 0.058 0.000 1.128 157 L CA 0.450 55.284 54.840 -0.010 0.000 0.868 157 L CB -0.278 41.724 42.059 -0.095 0.000 1.006 157 L HN 0.466 nan 8.230 nan 0.000 0.454 158 G N 0.944 109.771 108.800 0.044 0.000 2.171 158 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.238 158 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.238 158 G C -0.103 174.859 174.900 0.104 0.000 1.039 158 G CA -0.106 45.039 45.100 0.075 0.000 0.759 158 G HN 0.208 nan 8.290 nan 0.000 0.501 159 L N -0.328 120.952 121.223 0.095 0.000 2.332 159 L HA 0.574 4.913 4.340 -0.001 0.000 0.269 159 L C -1.957 175.009 176.870 0.160 0.000 1.016 159 L CA -2.693 52.238 54.840 0.152 0.000 0.809 159 L CB 1.623 43.738 42.059 0.095 0.000 1.280 159 L HN -0.145 nan 8.230 nan 0.000 0.447 160 P HA 0.077 nan 4.420 nan 0.000 0.270 160 P C -2.087 175.338 177.300 0.208 0.000 1.242 160 P CA -1.105 62.102 63.100 0.177 0.000 0.768 160 P CB 0.230 32.026 31.700 0.159 0.000 0.820 161 P HA -0.164 nan 4.420 nan 0.000 0.225 161 P C 0.845 178.210 177.300 0.108 0.000 1.148 161 P CA 1.265 64.446 63.100 0.136 0.000 0.779 161 P CB 0.140 31.891 31.700 0.085 0.000 0.780 162 E N -0.127 120.110 120.200 0.063 0.000 2.502 162 E HA -0.056 4.293 4.350 -0.001 0.000 0.194 162 E C -0.044 176.507 176.600 -0.081 0.000 1.062 162 E CA 0.448 56.850 56.400 0.003 0.000 0.867 162 E CB -0.679 29.022 29.700 0.002 0.000 0.888 162 E HN 0.199 nan 8.360 nan 0.000 0.510 163 D N 1.430 121.739 120.400 -0.153 0.000 2.722 163 D HA 0.145 4.784 4.640 -0.001 0.000 0.239 163 D C 1.288 177.086 176.300 -0.838 0.000 1.249 163 D CA 0.135 53.843 54.000 -0.487 0.000 0.830 163 D CB 0.320 40.752 40.800 -0.612 0.000 1.025 163 D HN 0.336 nan 8.370 nan 0.000 0.486 164 G N 0.899 109.484 108.800 -0.359 0.000 2.442 164 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.219 164 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.219 164 G C 1.351 176.057 174.900 -0.323 0.000 1.141 164 G CA 0.514 45.484 45.100 -0.215 0.000 0.763 164 G HN 0.173 nan 8.290 nan 0.000 0.554 165 D N 0.080 120.283 120.400 -0.328 0.000 2.144 165 D HA -0.061 4.578 4.640 -0.001 0.000 0.199 165 D C 2.746 178.799 176.300 -0.412 0.000 0.984 165 D CA 1.394 55.218 54.000 -0.294 0.000 0.834 165 D CB -0.425 40.237 40.800 -0.230 0.000 0.955 165 D HN 0.242 nan 8.370 nan 0.000 0.465 166 T N 0.078 114.246 114.554 -0.643 0.000 2.777 166 T HA -0.138 4.211 4.350 -0.001 0.000 0.266 166 T C 1.625 175.617 174.700 -1.179 0.000 1.040 166 T CA 0.838 62.420 62.100 -0.863 0.000 1.141 166 T CB -0.336 67.942 68.868 -0.983 0.000 0.868 166 T HN 0.158 nan 8.240 nan 0.000 0.444 167 Y N 1.616 121.409 120.300 -0.846 0.000 2.200 167 Y HA 0.041 4.591 4.550 -0.001 0.000 0.290 167 Y C 2.557 178.283 175.900 -0.291 0.000 1.137 167 Y CA 0.181 57.863 58.100 -0.696 0.000 1.163 167 Y CB -0.693 37.549 38.460 -0.363 0.000 0.988 167 Y HN 0.095 nan 8.280 nan 0.000 0.518 168 R N 0.030 120.474 120.500 -0.093 0.000 2.092 168 R HA -0.149 4.190 4.340 -0.001 0.000 0.231 168 R C 2.399 178.731 176.300 0.053 0.000 1.119 168 R CA 1.315 57.413 56.100 -0.004 0.000 0.970 168 R CB -0.290 29.981 30.300 -0.048 0.000 0.864 168 R HN 0.289 nan 8.270 nan 0.000 0.440 169 R N 0.304 120.769 120.500 -0.057 0.000 2.081 169 R HA -0.166 4.174 4.340 -0.001 0.000 0.235 169 R C 1.624 178.111 176.300 0.312 0.000 1.131 169 R CA 1.647 57.783 56.100 0.059 0.000 0.960 169 R CB -0.140 30.113 30.300 -0.077 0.000 0.856 169 R HN 0.230 nan 8.270 nan 0.000 0.436 170 W N 0.007 121.394 121.300 0.144 0.000 2.388 170 W HA -0.045 4.614 4.660 -0.001 0.000 0.294 170 W C 2.092 178.711 176.519 0.165 0.000 1.212 170 W CA 0.228 57.666 57.345 0.156 0.000 1.271 170 W CB -1.029 28.510 29.460 0.132 0.000 1.126 170 W HN -0.004 nan 8.180 nan 0.000 0.535 171 V N -0.578 119.548 119.914 0.353 0.000 2.358 171 V HA -0.269 3.850 4.120 -0.001 0.000 0.246 171 V C 1.922 178.096 176.094 0.134 0.000 1.047 171 V CA 1.864 64.281 62.300 0.194 0.000 1.035 171 V CB -1.151 30.755 31.823 0.138 0.000 0.658 171 V HN 0.212 nan 8.190 nan 0.000 0.452 172 W N 1.235 122.553 121.300 0.032 0.000 2.321 172 W HA -0.264 4.395 4.660 -0.002 0.000 0.306 172 W C 2.392 178.914 176.519 0.005 0.000 1.217 172 W CA 2.269 59.619 57.345 0.009 0.000 1.257 172 W CB -0.295 29.179 29.460 0.023 0.000 1.145 172 W HN 0.195 nan 8.180 nan 0.000 0.509 173 A N 0.005 122.905 122.820 0.134 0.000 1.930 173 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 173 A C 2.000 179.477 177.584 -0.179 0.000 1.175 173 A CA 1.793 53.806 52.037 -0.041 0.000 0.627 173 A CB -0.874 18.263 19.000 0.228 0.000 0.815 173 A HN 0.388 nan 8.150 nan 0.000 0.443 174 I N 0.181 120.675 120.570 -0.127 0.000 2.202 174 I HA -0.183 3.986 4.170 -0.001 0.000 0.242 174 I C 2.586 178.278 176.117 -0.710 0.000 1.091 174 I CA 1.765 62.883 61.300 -0.303 0.000 1.368 174 I CB -0.483 37.413 38.000 -0.173 0.000 1.058 174 I HN 0.488 nan 8.210 nan 0.000 0.410 175 T N -2.657 111.471 114.554 -0.709 0.000 3.160 175 T HA -0.018 4.331 4.350 -0.001 0.000 0.257 175 T C 0.019 174.390 174.700 -0.549 0.000 1.147 175 T CA 0.283 61.875 62.100 -0.847 0.000 1.064 175 T CB -0.171 68.388 68.868 -0.515 0.000 0.949 175 T HN 0.375 nan 8.240 nan 0.000 0.526 176 H N -1.505 117.322 119.070 -0.405 0.000 6.338 176 H HA -0.050 4.506 4.556 -0.001 0.000 0.895 176 H C -0.287 174.672 175.328 -0.614 0.000 1.981 176 H CA -0.189 55.618 56.048 -0.402 0.000 1.392 176 H CB -0.959 28.635 29.762 -0.280 0.000 4.727 176 H HN 0.131 nan 8.280 nan 0.000 0.697 177 V N 2.143 121.752 119.914 -0.509 0.000 3.660 177 V HA -0.031 4.088 4.120 -0.001 0.000 0.276 177 V C 1.663 177.638 176.094 -0.198 0.000 1.317 177 V CA 1.558 63.483 62.300 -0.626 0.000 1.097 177 V CB 0.054 31.517 31.823 -0.600 0.000 0.863 177 V HN 0.827 nan 8.190 nan 0.000 0.438 178 E N -0.023 120.110 120.200 -0.111 0.000 4.540 178 E HA -0.367 3.983 4.350 -0.001 0.000 0.175 178 E C 0.801 177.379 176.600 -0.036 0.000 1.236 178 E CA 1.727 58.088 56.400 -0.065 0.000 2.396 178 E CB -1.038 28.617 29.700 -0.075 0.000 1.797 178 E HN 0.666 nan 8.360 nan 0.000 0.437 179 N N 2.536 121.224 118.700 -0.019 0.000 2.411 179 N HA -0.025 4.714 4.740 -0.001 0.000 0.282 179 N C -1.398 174.114 175.510 0.002 0.000 1.322 179 N CA -0.224 52.829 53.050 0.005 0.000 0.943 179 N CB 0.879 39.387 38.487 0.035 0.000 1.266 179 N HN 0.080 nan 8.380 nan 0.000 0.486 180 P HA -0.255 nan 4.420 nan 0.000 0.209 180 P C 0.647 177.959 177.300 0.019 0.000 1.167 180 P CA 1.623 64.725 63.100 0.003 0.000 0.941 180 P CB 0.144 31.845 31.700 0.001 0.000 0.787 181 E N -0.360 119.856 120.200 0.027 0.000 2.279 181 E HA -0.231 4.119 4.350 -0.001 0.000 0.205 181 E C 2.111 178.745 176.600 0.058 0.000 1.028 181 E CA 1.560 57.984 56.400 0.040 0.000 0.830 181 E CB -0.631 29.091 29.700 0.038 0.000 0.736 181 E HN 0.568 nan 8.360 nan 0.000 0.478 182 E N -0.795 119.440 120.200 0.058 0.000 2.011 182 E HA -0.059 4.291 4.350 -0.001 0.000 0.191 182 E C 2.263 178.919 176.600 0.093 0.000 0.980 182 E CA 0.822 57.274 56.400 0.087 0.000 0.814 182 E CB -0.412 29.345 29.700 0.096 0.000 0.775 182 E HN 0.268 nan 8.360 nan 0.000 0.454 183 G N 0.789 109.610 108.800 0.035 0.000 2.503 183 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.221 183 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.221 183 G C 1.614 176.571 174.900 0.095 0.000 1.131 183 G CA 1.228 46.335 45.100 0.012 0.000 0.756 183 G HN 0.429 nan 8.290 nan 0.000 0.572 184 A N 0.426 123.295 122.820 0.081 0.000 1.933 184 A HA -0.000 4.319 4.320 -0.001 0.000 0.218 184 A C 2.159 179.845 177.584 0.170 0.000 1.175 184 A CA 2.001 54.115 52.037 0.129 0.000 0.628 184 A CB -0.389 18.659 19.000 0.079 0.000 0.814 184 A HN 0.497 nan 8.150 nan 0.000 0.444 185 E N -0.703 119.574 120.200 0.128 0.000 2.107 185 E HA -0.137 4.212 4.350 -0.001 0.000 0.191 185 E C 1.574 178.247 176.600 0.122 0.000 0.982 185 E CA 1.124 57.592 56.400 0.114 0.000 0.809 185 E CB -0.109 29.650 29.700 0.098 0.000 0.756 185 E HN 0.516 nan 8.360 nan 0.000 0.459 186 I N 0.267 120.935 120.570 0.164 0.000 2.406 186 I HA -0.121 4.049 4.170 -0.001 0.000 0.249 186 I C 1.911 178.100 176.117 0.120 0.000 1.122 186 I CA 0.626 62.041 61.300 0.191 0.000 1.431 186 I CB -0.494 37.682 38.000 0.293 0.000 1.087 186 I HN 0.188 nan 8.210 nan 0.000 0.424 187 F N 1.856 121.824 119.950 0.029 0.000 2.202 187 F HA -0.212 4.315 4.527 -0.001 0.000 0.301 187 F C 2.384 178.116 175.800 -0.113 0.000 1.082 187 F CA 1.214 59.189 58.000 -0.041 0.000 1.313 187 F CB -0.382 38.612 39.000 -0.009 0.000 1.024 187 F HN 0.050 nan 8.300 nan 0.000 0.495 188 A N 0.042 122.782 122.820 -0.133 0.000 1.972 188 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 188 A C 2.122 179.538 177.584 -0.280 0.000 1.169 188 A CA 1.812 53.743 52.037 -0.177 0.000 0.635 188 A CB -0.768 18.233 19.000 0.003 0.000 0.810 188 A HN 0.579 nan 8.150 nan 0.000 0.446 189 E N -0.498 119.555 120.200 -0.244 0.000 2.072 189 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 189 E C 2.009 178.249 176.600 -0.601 0.000 0.985 189 E CA 1.044 57.334 56.400 -0.183 0.000 0.801 189 E CB -0.275 29.451 29.700 0.044 0.000 0.750 189 E HN 0.681 nan 8.360 nan 0.000 0.452 190 L N 0.948 121.406 121.223 -1.275 0.000 2.017 190 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 190 L C 2.325 178.545 176.870 -1.083 0.000 1.073 190 L CA 1.082 54.800 54.840 -1.870 0.000 0.745 190 L CB -0.134 41.080 42.059 -1.409 0.000 0.894 190 L HN -0.016 nan 8.230 nan 0.000 0.432 191 V N 0.463 119.810 119.914 -0.945 0.000 2.332 191 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 191 V C 2.840 178.657 176.094 -0.462 0.000 1.055 191 V CA 1.761 63.636 62.300 -0.709 0.000 1.038 191 V CB -1.213 30.262 31.823 -0.580 0.000 0.651 191 V HN 0.633 nan 8.190 nan 0.000 0.450 192 A N -1.303 121.311 122.820 -0.344 0.000 1.898 192 A HA -0.214 4.106 4.320 -0.001 0.000 0.216 192 A C 2.118 179.546 177.584 -0.259 0.000 1.181 192 A CA 1.580 53.480 52.037 -0.228 0.000 0.620 192 A CB -0.749 18.162 19.000 -0.148 0.000 0.819 192 A HN 0.677 nan 8.150 nan 0.000 0.442 193 H N -0.658 118.208 119.070 -0.341 0.000 2.389 193 H HA -0.039 4.516 4.556 -0.001 0.000 0.299 193 H C 2.557 177.649 175.328 -0.393 0.000 1.081 193 H CA 1.224 57.138 56.048 -0.225 0.000 1.345 193 H CB -0.102 29.647 29.762 -0.022 0.000 1.393 193 H HN 0.553 nan 8.280 nan 0.000 0.520 194 A N 1.390 123.844 122.820 -0.609 0.000 1.933 194 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 194 A C 2.450 179.756 177.584 -0.463 0.000 1.175 194 A CA 1.201 52.684 52.037 -0.923 0.000 0.628 194 A CB -0.390 17.934 19.000 -1.127 0.000 0.814 194 A HN 0.297 nan 8.150 nan 0.000 0.444 195 R N -1.010 119.290 120.500 -0.333 0.000 2.092 195 R HA -0.076 4.264 4.340 -0.001 0.000 0.231 195 R C 2.247 178.458 176.300 -0.149 0.000 1.119 195 R CA 1.776 57.757 56.100 -0.199 0.000 0.970 195 R CB -0.563 29.646 30.300 -0.151 0.000 0.864 195 R HN 0.549 nan 8.270 nan 0.000 0.440 196 T N 1.613 116.072 114.554 -0.158 0.000 2.777 196 T HA -0.131 4.218 4.350 -0.001 0.000 0.266 196 T C 1.697 176.354 174.700 -0.072 0.000 1.040 196 T CA 1.015 63.051 62.100 -0.106 0.000 1.141 196 T CB -0.210 68.586 68.868 -0.121 0.000 0.868 196 T HN 0.087 nan 8.240 nan 0.000 0.444 197 L N 1.174 122.346 121.223 -0.085 0.000 2.012 197 L HA -0.007 4.333 4.340 -0.001 0.000 0.210 197 L C 2.162 179.014 176.870 -0.029 0.000 1.073 197 L CA 1.591 56.412 54.840 -0.033 0.000 0.748 197 L CB -0.658 41.380 42.059 -0.034 0.000 0.891 197 L HN 0.260 nan 8.230 nan 0.000 0.431 198 I N -0.322 120.207 120.570 -0.068 0.000 2.208 198 I HA -0.315 3.854 4.170 -0.001 0.000 0.245 198 I C 2.584 178.691 176.117 -0.017 0.000 1.097 198 I CA 1.302 62.582 61.300 -0.033 0.000 1.363 198 I CB -0.711 37.260 38.000 -0.048 0.000 1.051 198 I HN 0.379 nan 8.210 nan 0.000 0.413 199 A N 0.390 123.193 122.820 -0.028 0.000 1.969 199 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 199 A C 2.221 179.802 177.584 -0.006 0.000 1.169 199 A CA 1.979 54.007 52.037 -0.016 0.000 0.635 199 A CB -0.497 18.488 19.000 -0.024 0.000 0.810 199 A HN 0.465 nan 8.150 nan 0.000 0.445 200 E N -0.178 120.020 120.200 -0.004 0.000 2.107 200 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 200 E C 1.980 178.588 176.600 0.013 0.000 0.982 200 E CA 1.091 57.495 56.400 0.007 0.000 0.809 200 E CB -0.100 29.608 29.700 0.014 0.000 0.756 200 E HN 0.320 nan 8.360 nan 0.000 0.459 201 R N 0.039 120.549 120.500 0.016 0.000 2.153 201 R HA 0.090 4.429 4.340 -0.001 0.000 0.218 201 R C 2.229 178.538 176.300 0.015 0.000 1.072 201 R CA 0.935 57.048 56.100 0.020 0.000 0.990 201 R CB -0.642 29.675 30.300 0.028 0.000 0.889 201 R HN 0.128 nan 8.270 nan 0.000 0.452 202 R N 0.393 120.900 120.500 0.011 0.000 2.096 202 R HA -0.085 4.254 4.340 -0.001 0.000 0.235 202 R C 1.742 178.048 176.300 0.009 0.000 1.127 202 R CA 2.172 58.279 56.100 0.010 0.000 0.968 202 R CB -0.178 30.127 30.300 0.008 0.000 0.861 202 R HN 0.398 nan 8.270 nan 0.000 0.440 203 T N -4.009 110.550 114.554 0.009 0.000 3.015 203 T HA 0.114 4.463 4.350 -0.001 0.000 0.250 203 T C 0.560 175.266 174.700 0.009 0.000 1.057 203 T CA 0.107 62.212 62.100 0.008 0.000 1.066 203 T CB 0.164 69.035 68.868 0.006 0.000 0.959 203 T HN 0.056 nan 8.240 nan 0.000 0.488 204 N N 2.313 121.020 118.700 0.012 0.000 2.723 204 N HA 0.399 5.138 4.740 -0.001 0.000 0.290 204 N C -3.252 172.268 175.510 0.016 0.000 1.882 204 N CA -1.975 51.083 53.050 0.013 0.000 0.851 204 N CB 0.834 39.330 38.487 0.015 0.000 1.234 204 N HN 0.108 nan 8.380 nan 0.000 0.491 205 P HA 0.189 nan 4.420 nan 0.000 0.266 205 P C 0.310 177.620 177.300 0.016 0.000 1.193 205 P CA 0.113 63.221 63.100 0.014 0.000 0.770 205 P CB 0.893 32.599 31.700 0.010 0.000 0.836 206 G N 1.296 110.107 108.800 0.019 0.000 3.211 206 G HA2 0.308 4.267 3.960 -0.001 0.000 0.262 206 G HA3 0.308 4.267 3.960 -0.001 0.000 0.262 206 G C 0.233 175.144 174.900 0.018 0.000 1.352 206 G CA -0.715 44.398 45.100 0.021 0.000 1.004 206 G HN 0.496 nan 8.290 nan 0.000 0.559 207 N N -0.078 118.634 118.700 0.021 0.000 2.336 207 N HA 0.035 4.774 4.740 -0.001 0.000 0.189 207 N C 0.321 175.847 175.510 0.028 0.000 1.113 207 N CA 0.131 53.192 53.050 0.018 0.000 0.858 207 N CB 0.052 38.547 38.487 0.014 0.000 0.970 207 N HN 0.617 nan 8.380 nan 0.000 0.471 208 D N 0.376 120.796 120.400 0.033 0.000 2.371 208 D HA -0.034 4.606 4.640 -0.001 0.000 0.242 208 D C 1.134 177.435 176.300 0.001 0.000 1.218 208 D CA -0.524 53.493 54.000 0.028 0.000 0.945 208 D CB 1.281 42.104 40.800 0.038 0.000 1.137 208 D HN -0.212 nan 8.370 nan 0.000 0.464 209 I N -0.026 120.532 120.570 -0.020 0.000 2.286 209 I HA -0.233 3.936 4.170 -0.001 0.000 0.248 209 I C 2.372 178.482 176.117 -0.013 0.000 1.115 209 I CA 0.901 62.182 61.300 -0.032 0.000 1.392 209 I CB -1.071 36.913 38.000 -0.026 0.000 1.065 209 I HN 0.405 nan 8.210 nan 0.000 0.418 210 M N 0.446 120.065 119.600 0.031 0.000 2.117 210 M HA -0.135 4.344 4.480 -0.001 0.000 0.262 210 M C 2.500 178.813 176.300 0.023 0.000 1.065 210 M CA 1.397 56.731 55.300 0.058 0.000 1.114 210 M CB -1.369 31.310 32.600 0.133 0.000 1.361 210 M HN 0.158 nan 8.290 nan 0.000 0.408 211 S N -0.141 115.571 115.700 0.021 0.000 2.383 211 S HA -0.162 4.308 4.470 -0.001 0.000 0.229 211 S C 1.943 176.537 174.600 -0.010 0.000 1.030 211 S CA 1.367 59.573 58.200 0.011 0.000 1.002 211 S CB -0.342 62.866 63.200 0.014 0.000 0.829 211 S HN 0.431 nan 8.310 nan 0.000 0.467 212 R N 1.215 121.700 120.500 -0.024 0.000 2.073 212 R HA -0.113 4.227 4.340 -0.001 0.000 0.234 212 R C 2.285 178.540 176.300 -0.074 0.000 1.134 212 R CA 1.946 58.020 56.100 -0.044 0.000 0.952 212 R CB -0.472 29.797 30.300 -0.052 0.000 0.850 212 R HN 0.440 nan 8.270 nan 0.000 0.433 213 V N -1.497 118.343 119.914 -0.123 0.000 2.667 213 V HA -0.070 4.050 4.120 -0.001 0.000 0.252 213 V C 2.143 178.188 176.094 -0.082 0.000 1.065 213 V CA 1.334 63.515 62.300 -0.199 0.000 1.083 213 V CB -0.540 31.000 31.823 -0.472 0.000 0.692 213 V HN 0.258 nan 8.190 nan 0.000 0.468 214 I N -0.004 120.546 120.570 -0.032 0.000 2.394 214 I HA -0.146 4.024 4.170 -0.001 0.000 0.251 214 I C 2.442 178.563 176.117 0.007 0.000 1.136 214 I CA 1.899 63.203 61.300 0.007 0.000 1.425 214 I CB -0.133 37.876 38.000 0.015 0.000 1.079 214 I HN 0.292 nan 8.210 nan 0.000 0.425 215 M N -0.745 118.851 119.600 -0.006 0.000 2.495 215 M HA 0.100 4.580 4.480 -0.001 0.000 0.237 215 M C 0.708 177.005 176.300 -0.004 0.000 1.131 215 M CA 0.064 55.363 55.300 -0.002 0.000 1.032 215 M CB 0.123 32.720 32.600 -0.005 0.000 1.513 215 M HN -0.025 nan 8.290 nan 0.000 0.488 216 S N 1.030 116.722 115.700 -0.012 0.000 2.645 216 S HA 0.440 4.909 4.470 -0.001 0.000 0.266 216 S C 0.002 174.611 174.600 0.015 0.000 1.258 216 S CA -0.428 57.766 58.200 -0.010 0.000 0.990 216 S CB 1.155 64.334 63.200 -0.034 0.000 0.967 216 S HN 0.201 nan 8.310 nan 0.000 0.556 217 K N 0.526 120.935 120.400 0.015 0.000 2.502 217 K HA 0.569 4.888 4.320 -0.001 0.000 0.257 217 K C -1.496 175.112 176.600 0.013 0.000 0.938 217 K CA -0.417 55.883 56.287 0.023 0.000 0.819 217 K CB 1.753 34.262 32.500 0.015 0.000 1.333 217 K HN 0.457 nan 8.250 nan 0.000 0.434 218 I N 2.504 123.082 120.570 0.013 0.000 2.439 218 I HA 0.152 4.321 4.170 -0.001 0.000 0.285 218 I C -0.878 175.228 176.117 -0.019 0.000 1.021 218 I CA -0.530 60.757 61.300 -0.022 0.000 1.091 218 I CB 1.810 39.769 38.000 -0.067 0.000 1.242 218 I HN 0.680 nan 8.210 nan 0.000 0.439 219 D N 5.812 126.199 120.400 -0.023 0.000 2.904 219 D HA -0.178 4.461 4.640 -0.001 0.000 0.231 219 D C 1.220 177.519 176.300 -0.002 0.000 1.185 219 D CA 1.508 55.499 54.000 -0.015 0.000 0.783 219 D CB -0.562 40.226 40.800 -0.020 0.000 0.961 219 D HN 1.143 nan 8.370 nan 0.000 0.409 220 G N 0.178 108.978 108.800 0.001 0.000 2.216 220 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.269 220 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.269 220 G C 0.289 175.197 174.900 0.014 0.000 0.981 220 G CA 1.140 46.244 45.100 0.006 0.000 0.658 220 G HN 0.523 nan 8.290 nan 0.000 0.539 221 E N 0.456 120.667 120.200 0.019 0.000 2.158 221 E HA 0.657 5.007 4.350 -0.001 0.000 0.271 221 E C 0.276 176.903 176.600 0.045 0.000 0.911 221 E CA -0.347 56.072 56.400 0.032 0.000 0.767 221 E CB 1.150 30.872 29.700 0.037 0.000 1.120 221 E HN 0.114 nan 8.360 nan 0.000 0.405 222 S N 2.391 118.119 115.700 0.046 0.000 2.573 222 S HA 0.113 4.582 4.470 -0.001 0.000 0.277 222 S C -0.203 174.450 174.600 0.088 0.000 1.346 222 S CA -0.480 57.754 58.200 0.057 0.000 1.034 222 S CB 0.226 63.454 63.200 0.047 0.000 0.879 222 S HN 0.352 nan 8.310 nan 0.000 0.528 223 L N 2.757 124.048 121.223 0.113 0.000 2.397 223 L HA 0.231 4.571 4.340 -0.001 0.000 0.271 223 L C 0.989 177.945 176.870 0.143 0.000 1.148 223 L CA 0.343 55.286 54.840 0.172 0.000 0.825 223 L CB 0.589 42.783 42.059 0.224 0.000 1.117 223 L HN 0.806 nan 8.230 nan 0.000 0.456 224 S N 1.750 117.542 115.700 0.154 0.000 2.593 224 S HA 0.087 4.557 4.470 -0.001 0.000 0.269 224 S C 1.020 175.696 174.600 0.127 0.000 1.334 224 S CA -0.196 58.078 58.200 0.122 0.000 1.015 224 S CB 0.476 63.747 63.200 0.119 0.000 0.912 224 S HN 0.727 nan 8.310 nan 0.000 0.541 225 E N 0.517 120.780 120.200 0.105 0.000 2.153 225 E HA -0.206 4.143 4.350 -0.001 0.000 0.194 225 E C 0.733 177.415 176.600 0.137 0.000 0.988 225 E CA 1.424 57.882 56.400 0.096 0.000 0.811 225 E CB -0.165 29.578 29.700 0.070 0.000 0.746 225 E HN 0.757 nan 8.360 nan 0.000 0.466 226 D N 0.675 121.191 120.400 0.193 0.000 2.117 226 D HA -0.135 4.504 4.640 -0.001 0.000 0.198 226 D C 1.450 177.894 176.300 0.241 0.000 0.982 226 D CA 0.936 55.135 54.000 0.332 0.000 0.828 226 D CB -0.235 40.718 40.800 0.254 0.000 0.967 226 D HN 0.186 nan 8.370 nan 0.000 0.464 227 D N -0.021 120.471 120.400 0.153 0.000 2.117 227 D HA -0.072 4.567 4.640 -0.001 0.000 0.197 227 D C 2.315 178.717 176.300 0.171 0.000 0.987 227 D CA 0.392 54.439 54.000 0.078 0.000 0.829 227 D CB -0.215 40.678 40.800 0.155 0.000 0.961 227 D HN 0.228 nan 8.370 nan 0.000 0.460 228 L N 0.375 121.733 121.223 0.224 0.000 2.046 228 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 228 L C 2.498 179.475 176.870 0.179 0.000 1.077 228 L CA 0.699 55.693 54.840 0.257 0.000 0.747 228 L CB -0.306 41.843 42.059 0.149 0.000 0.896 228 L HN 0.009 nan 8.230 nan 0.000 0.432 229 I N -0.112 120.478 120.570 0.032 0.000 2.361 229 I HA -0.204 3.965 4.170 -0.001 0.000 0.251 229 I C 2.575 178.663 176.117 -0.050 0.000 1.133 229 I CA 1.297 62.516 61.300 -0.135 0.000 1.413 229 I CB -0.724 36.980 38.000 -0.493 0.000 1.073 229 I HN 0.273 nan 8.210 nan 0.000 0.424 230 G N 0.458 109.250 108.800 -0.014 0.000 2.402 230 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.216 230 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.216 230 G C 1.557 176.412 174.900 -0.075 0.000 1.162 230 G CA 0.441 45.507 45.100 -0.056 0.000 0.777 230 G HN 0.241 nan 8.290 nan 0.000 0.539 231 F N -0.224 119.749 119.950 0.038 0.000 2.102 231 F HA 0.027 4.554 4.527 -0.001 0.000 0.298 231 F C 2.287 178.143 175.800 0.093 0.000 1.105 231 F CA 1.237 59.271 58.000 0.057 0.000 1.239 231 F CB -0.378 38.668 39.000 0.077 0.000 0.991 231 F HN 0.149 nan 8.300 nan 0.000 0.474 232 F N 0.887 120.935 119.950 0.163 0.000 2.091 232 F HA -0.298 4.229 4.527 -0.001 0.000 0.299 232 F C 2.431 178.265 175.800 0.056 0.000 1.103 232 F CA 2.284 60.332 58.000 0.080 0.000 1.228 232 F CB -0.895 38.107 39.000 0.003 0.000 0.984 232 F HN -0.166 nan 8.300 nan 0.000 0.477 233 T N 0.650 115.340 114.554 0.226 0.000 2.737 233 T HA -0.184 4.165 4.350 -0.001 0.000 0.265 233 T C 1.870 176.609 174.700 0.065 0.000 1.038 233 T CA 1.621 63.820 62.100 0.166 0.000 1.144 233 T CB -0.489 68.520 68.868 0.235 0.000 0.866 233 T HN 0.251 nan 8.240 nan 0.000 0.434 234 I N 0.715 121.307 120.570 0.038 0.000 2.394 234 I HA -0.037 4.132 4.170 -0.001 0.000 0.251 234 I C 1.683 177.791 176.117 -0.015 0.000 1.136 234 I CA 0.944 62.248 61.300 0.008 0.000 1.425 234 I CB -0.256 37.720 38.000 -0.041 0.000 1.079 234 I HN 0.091 nan 8.210 nan 0.000 0.425 235 L N -0.695 120.520 121.223 -0.014 0.000 2.095 235 L HA -0.071 4.268 4.340 -0.001 0.000 0.204 235 L C 2.218 179.032 176.870 -0.093 0.000 1.080 235 L CA 1.408 56.232 54.840 -0.026 0.000 0.759 235 L CB -1.424 40.677 42.059 0.069 0.000 0.914 235 L HN 0.273 nan 8.230 nan 0.000 0.439 236 L N -0.913 120.189 121.223 -0.203 0.000 2.017 236 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 236 L C 2.361 179.184 176.870 -0.079 0.000 1.073 236 L CA 1.586 56.283 54.840 -0.238 0.000 0.745 236 L CB -0.739 41.094 42.059 -0.376 0.000 0.894 236 L HN 0.210 nan 8.230 nan 0.000 0.432 237 L N -0.298 120.916 121.223 -0.015 0.000 1.994 237 L HA -0.017 4.323 4.340 -0.001 0.000 0.208 237 L C 2.337 179.222 176.870 0.024 0.000 1.071 237 L CA 2.149 57.013 54.840 0.041 0.000 0.745 237 L CB -1.318 40.796 42.059 0.091 0.000 0.892 237 L HN 0.319 nan 8.230 nan 0.000 0.431 238 G N -1.382 107.418 108.800 0.000 0.000 2.422 238 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.218 238 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.218 238 G C 1.480 176.368 174.900 -0.021 0.000 1.146 238 G CA 0.517 45.607 45.100 -0.017 0.000 0.769 238 G HN 0.590 nan 8.290 nan 0.000 0.547 239 G N 0.845 109.629 108.800 -0.026 0.000 2.484 239 G HA2 0.016 3.975 3.960 -0.001 0.000 0.218 239 G HA3 0.016 3.975 3.960 -0.001 0.000 0.218 239 G C 1.641 176.535 174.900 -0.010 0.000 1.130 239 G CA 1.038 46.131 45.100 -0.012 0.000 0.784 239 G HN 0.722 nan 8.290 nan 0.000 0.543 240 I N -3.757 116.808 120.570 -0.008 0.000 4.323 240 I HA 0.414 4.584 4.170 -0.001 0.000 0.328 240 I C 1.424 177.550 176.117 0.015 0.000 1.310 240 I CA 0.339 61.641 61.300 0.003 0.000 1.186 240 I CB 0.642 38.645 38.000 0.005 0.000 1.130 240 I HN -0.117 nan 8.210 nan 0.000 0.411 241 D N 2.091 122.504 120.400 0.021 0.000 2.154 241 D HA 0.095 4.734 4.640 -0.001 0.000 0.211 241 D C 2.312 178.624 176.300 0.020 0.000 0.977 241 D CA 2.063 56.077 54.000 0.023 0.000 0.869 241 D CB 0.176 40.995 40.800 0.032 0.000 1.022 241 D HN 0.327 nan 8.370 nan 0.000 0.461 242 A N -0.145 122.692 122.820 0.029 0.000 1.933 242 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 242 A C 2.300 179.929 177.584 0.074 0.000 1.175 242 A CA 2.904 54.963 52.037 0.036 0.000 0.628 242 A CB -1.403 17.610 19.000 0.021 0.000 0.814 242 A HN 0.489 nan 8.150 nan 0.000 0.444 243 T N -1.548 113.045 114.554 0.064 0.000 2.652 243 T HA -0.063 4.287 4.350 -0.001 0.000 0.267 243 T C 2.010 176.767 174.700 0.095 0.000 1.039 243 T CA 1.964 64.125 62.100 0.102 0.000 1.153 243 T CB -0.854 68.048 68.868 0.056 0.000 0.863 243 T HN 0.627 nan 8.240 nan 0.000 0.428 244 A N 2.177 125.020 122.820 0.038 0.000 1.902 244 A HA -0.074 4.246 4.320 -0.001 0.000 0.217 244 A C 2.622 180.197 177.584 -0.015 0.000 1.181 244 A CA 1.260 53.300 52.037 0.004 0.000 0.623 244 A CB -0.520 18.473 19.000 -0.013 0.000 0.818 244 A HN 0.374 nan 8.150 nan 0.000 0.443 245 R N -1.441 119.051 120.500 -0.014 0.000 2.092 245 R HA -0.075 4.264 4.340 -0.001 0.000 0.231 245 R C 1.998 178.289 176.300 -0.015 0.000 1.119 245 R CA 1.400 57.456 56.100 -0.073 0.000 0.970 245 R CB -1.167 29.066 30.300 -0.111 0.000 0.864 245 R HN 0.698 nan 8.270 nan 0.000 0.440 246 F N 1.570 121.472 119.950 -0.079 0.000 2.075 246 F HA -0.158 4.369 4.527 -0.001 0.000 0.297 246 F C 2.107 177.853 175.800 -0.090 0.000 1.113 246 F CA 1.314 59.286 58.000 -0.046 0.000 1.218 246 F CB -0.190 38.800 39.000 -0.017 0.000 0.984 246 F HN -0.131 nan 8.300 nan 0.000 0.472 247 L N -0.291 120.728 121.223 -0.340 0.000 2.131 247 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 247 L C 2.465 179.123 176.870 -0.353 0.000 1.092 247 L CA 1.180 55.702 54.840 -0.530 0.000 0.759 247 L CB -0.834 41.054 42.059 -0.285 0.000 0.903 247 L HN 0.154 nan 8.230 nan 0.000 0.435 248 S N -0.804 114.816 115.700 -0.134 0.000 2.368 248 S HA -0.137 4.332 4.470 -0.001 0.000 0.224 248 S C 2.222 176.794 174.600 -0.046 0.000 1.029 248 S CA 1.411 59.607 58.200 -0.007 0.000 0.988 248 S CB -0.047 63.122 63.200 -0.053 0.000 0.838 248 S HN 0.345 nan 8.310 nan 0.000 0.462 249 S N 1.097 116.693 115.700 -0.175 0.000 2.383 249 S HA -0.044 4.425 4.470 -0.001 0.000 0.227 249 S C 1.997 176.410 174.600 -0.311 0.000 1.026 249 S CA 0.826 58.900 58.200 -0.209 0.000 0.981 249 S CB -0.320 62.738 63.200 -0.236 0.000 0.818 249 S HN 0.301 nan 8.310 nan 0.000 0.472 250 V N 1.133 120.754 119.914 -0.487 0.000 2.295 250 V HA -0.169 3.951 4.120 -0.001 0.000 0.246 250 V C 1.841 177.738 176.094 -0.329 0.000 1.049 250 V CA 1.721 63.710 62.300 -0.518 0.000 1.024 250 V CB -0.821 30.523 31.823 -0.799 0.000 0.648 250 V HN 0.460 nan 8.190 nan 0.000 0.447 251 F N -1.183 118.631 119.950 -0.226 0.000 2.126 251 F HA -0.262 4.264 4.527 -0.001 0.000 0.299 251 F C 2.280 178.118 175.800 0.063 0.000 1.096 251 F CA 2.218 60.119 58.000 -0.165 0.000 1.255 251 F CB -0.469 38.351 39.000 -0.300 0.000 0.997 251 F HN 0.286 nan 8.300 nan 0.000 0.479 252 W N 1.480 122.848 121.300 0.113 0.000 2.338 252 W HA -0.253 4.406 4.660 -0.003 0.000 0.304 252 W C 2.662 179.237 176.519 0.093 0.000 1.212 252 W CA 1.896 59.334 57.345 0.155 0.000 1.264 252 W CB -0.332 29.213 29.460 0.143 0.000 1.142 252 W HN -0.168 nan 8.180 nan 0.000 0.512 253 R N 0.596 121.078 120.500 -0.031 0.000 2.066 253 R HA -0.115 4.224 4.340 -0.001 0.000 0.232 253 R C 2.230 178.085 176.300 -0.743 0.000 1.131 253 R CA 2.280 58.055 56.100 -0.542 0.000 0.955 253 R CB -1.181 28.993 30.300 -0.211 0.000 0.851 253 R HN 0.371 nan 8.270 nan 0.000 0.432 254 L N 0.073 121.098 121.223 -0.330 0.000 2.191 254 L HA -0.047 4.292 4.340 -0.001 0.000 0.212 254 L C 2.417 179.054 176.870 -0.389 0.000 1.103 254 L CA 1.084 55.778 54.840 -0.243 0.000 0.769 254 L CB -0.588 41.525 42.059 0.090 0.000 0.908 254 L HN 0.342 nan 8.230 nan 0.000 0.438 255 A N 0.624 123.302 122.820 -0.237 0.000 1.898 255 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 255 A C 2.051 179.443 177.584 -0.321 0.000 1.181 255 A CA 1.626 53.462 52.037 -0.335 0.000 0.620 255 A CB -0.602 18.502 19.000 0.173 0.000 0.819 255 A HN 0.738 nan 8.150 nan 0.000 0.442 256 W N -1.424 119.649 121.300 -0.378 0.000 2.907 256 W HA 0.257 4.917 4.660 0.001 0.000 0.271 256 W C -0.417 175.943 176.519 -0.266 0.000 1.253 256 W CA 0.427 57.578 57.345 -0.324 0.000 1.501 256 W CB -0.233 29.010 29.460 -0.363 0.000 1.047 256 W HN 0.266 nan 8.180 nan 0.000 0.610 257 D N 3.634 123.458 120.400 -0.961 0.000 2.517 257 D HA 0.071 4.710 4.640 -0.001 0.000 0.220 257 D C 1.730 177.781 176.300 -0.416 0.000 1.158 257 D CA -0.111 53.376 54.000 -0.854 0.000 0.992 257 D CB -0.197 39.800 40.800 -1.338 0.000 1.058 257 D HN 0.343 nan 8.370 nan 0.000 0.516 258 I N -0.420 120.020 120.570 -0.218 0.000 2.567 258 I HA -0.112 4.058 4.170 -0.001 0.000 0.257 258 I C 1.731 177.776 176.117 -0.121 0.000 1.184 258 I CA 0.828 62.032 61.300 -0.159 0.000 1.451 258 I CB -0.028 37.918 38.000 -0.089 0.000 1.089 258 I HN 0.203 nan 8.210 nan 0.000 0.441 259 E N 1.473 121.607 120.200 -0.110 0.000 2.046 259 E HA -0.218 4.131 4.350 -0.001 0.000 0.190 259 E C 2.241 178.787 176.600 -0.090 0.000 0.982 259 E CA 1.139 57.494 56.400 -0.075 0.000 0.800 259 E CB -0.054 29.614 29.700 -0.053 0.000 0.756 259 E HN 0.494 nan 8.360 nan 0.000 0.449 260 L N 1.719 122.853 121.223 -0.148 0.000 2.012 260 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 260 L C 2.491 179.301 176.870 -0.099 0.000 1.073 260 L CA 1.877 56.636 54.840 -0.134 0.000 0.748 260 L CB -0.574 41.361 42.059 -0.207 0.000 0.891 260 L HN 0.047 nan 8.230 nan 0.000 0.431 261 R N 0.102 120.523 120.500 -0.131 0.000 2.083 261 R HA -0.218 4.122 4.340 -0.001 0.000 0.237 261 R C 2.491 178.770 176.300 -0.036 0.000 1.137 261 R CA 1.948 58.001 56.100 -0.078 0.000 0.951 261 R CB -0.303 29.924 30.300 -0.122 0.000 0.851 261 R HN 0.618 nan 8.270 nan 0.000 0.434 262 R N -0.072 120.400 120.500 -0.047 0.000 2.120 262 R HA -0.102 4.237 4.340 -0.001 0.000 0.234 262 R C 2.127 178.417 176.300 -0.017 0.000 1.123 262 R CA 1.394 57.476 56.100 -0.031 0.000 0.975 262 R CB -0.454 29.826 30.300 -0.033 0.000 0.866 262 R HN 0.174 nan 8.270 nan 0.000 0.446 263 R N 0.854 121.361 120.500 0.011 0.000 2.092 263 R HA 0.032 4.372 4.340 -0.001 0.000 0.231 263 R C 2.348 178.713 176.300 0.107 0.000 1.119 263 R CA 1.493 57.651 56.100 0.096 0.000 0.970 263 R CB -0.318 30.044 30.300 0.104 0.000 0.864 263 R HN 0.262 nan 8.270 nan 0.000 0.440 264 L N 0.111 121.363 121.223 0.049 0.000 2.156 264 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 264 L C 2.234 179.122 176.870 0.029 0.000 1.095 264 L CA 0.992 55.861 54.840 0.050 0.000 0.770 264 L CB -0.321 41.754 42.059 0.027 0.000 0.914 264 L HN 0.190 nan 8.230 nan 0.000 0.439 265 I N 0.165 120.737 120.570 0.004 0.000 2.353 265 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 265 I C 2.655 178.731 176.117 -0.069 0.000 1.119 265 I CA 1.055 62.345 61.300 -0.016 0.000 1.417 265 I CB -0.273 37.721 38.000 -0.011 0.000 1.078 265 I HN 0.176 nan 8.210 nan 0.000 0.421 266 A N -0.793 121.945 122.820 -0.138 0.000 2.072 266 A HA -0.044 4.275 4.320 -0.001 0.000 0.216 266 A C 0.871 178.144 177.584 -0.518 0.000 1.156 266 A CA 0.905 52.738 52.037 -0.340 0.000 0.701 266 A CB -0.193 18.529 19.000 -0.464 0.000 0.816 266 A HN 0.432 nan 8.150 nan 0.000 0.458 267 H N -0.895 118.175 119.070 0.001 0.000 2.439 267 H HA 0.168 4.724 4.556 -0.001 0.000 0.228 267 H C -2.157 173.174 175.328 0.005 0.000 1.423 267 H CA -1.303 54.747 56.048 0.003 0.000 1.386 267 H CB 0.525 30.288 29.762 0.002 0.000 1.641 267 H HN 0.316 nan 8.280 nan 0.000 0.508 268 P HA -0.225 nan 4.420 nan 0.000 0.217 268 P C 1.435 178.774 177.300 0.064 0.000 1.148 268 P CA 1.292 64.427 63.100 0.057 0.000 0.828 268 P CB 0.436 32.155 31.700 0.032 0.000 0.783 269 E N 0.738 120.984 120.200 0.077 0.000 2.333 269 E HA -0.138 4.211 4.350 -0.001 0.000 0.198 269 E C 1.767 178.399 176.600 0.054 0.000 1.007 269 E CA 0.787 57.224 56.400 0.061 0.000 0.845 269 E CB -1.035 28.701 29.700 0.060 0.000 0.766 269 E HN 0.353 nan 8.360 nan 0.000 0.507 270 L N 0.497 121.760 121.223 0.066 0.000 2.592 270 L HA 0.205 4.544 4.340 -0.001 0.000 0.227 270 L C 2.250 179.145 176.870 0.042 0.000 1.127 270 L CA -0.149 54.715 54.840 0.040 0.000 0.884 270 L CB -0.116 41.955 42.059 0.021 0.000 1.065 270 L HN 0.022 nan 8.230 nan 0.000 0.457 271 I N 0.811 121.408 120.570 0.046 0.000 2.226 271 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 271 I C -0.355 175.785 176.117 0.039 0.000 1.100 271 I CA 1.383 62.705 61.300 0.036 0.000 1.374 271 I CB -1.128 36.889 38.000 0.029 0.000 1.057 271 I HN 0.211 nan 8.210 nan 0.000 0.413 272 P HA -0.130 nan 4.420 nan 0.000 0.215 272 P C 1.033 178.369 177.300 0.059 0.000 1.153 272 P CA 1.611 64.740 63.100 0.048 0.000 0.853 272 P CB -0.110 31.619 31.700 0.048 0.000 0.788 273 N N -0.954 117.777 118.700 0.052 0.000 2.244 273 N HA -0.093 4.646 4.740 -0.001 0.000 0.183 273 N C 1.696 177.242 175.510 0.060 0.000 1.016 273 N CA 1.041 54.125 53.050 0.057 0.000 0.866 273 N CB -0.428 38.083 38.487 0.040 0.000 0.980 273 N HN 0.031 nan 8.380 nan 0.000 0.430 274 A N 0.279 123.128 122.820 0.049 0.000 1.898 274 A HA -0.047 4.272 4.320 -0.001 0.000 0.216 274 A C 2.293 179.925 177.584 0.080 0.000 1.181 274 A CA 0.915 52.980 52.037 0.045 0.000 0.620 274 A CB -0.675 18.340 19.000 0.025 0.000 0.819 274 A HN 0.098 nan 8.150 nan 0.000 0.442 275 V N 0.582 120.550 119.914 0.090 0.000 2.332 275 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 275 V C 2.353 178.552 176.094 0.175 0.000 1.055 275 V CA 2.547 64.939 62.300 0.153 0.000 1.038 275 V CB -0.714 31.181 31.823 0.120 0.000 0.651 275 V HN 0.673 nan 8.190 nan 0.000 0.450 276 D N -0.309 120.168 120.400 0.128 0.000 2.144 276 D HA -0.185 4.454 4.640 -0.001 0.000 0.200 276 D C 2.130 178.481 176.300 0.084 0.000 0.978 276 D CA 1.264 55.350 54.000 0.144 0.000 0.833 276 D CB -0.030 40.874 40.800 0.172 0.000 0.961 276 D HN 0.461 nan 8.370 nan 0.000 0.470 277 E N -0.280 119.971 120.200 0.086 0.000 2.152 277 E HA -0.046 4.303 4.350 -0.001 0.000 0.192 277 E C 2.046 178.695 176.600 0.082 0.000 0.983 277 E CA 0.738 57.169 56.400 0.051 0.000 0.818 277 E CB -0.315 29.407 29.700 0.037 0.000 0.758 277 E HN 0.359 nan 8.360 nan 0.000 0.467 278 L N -0.109 121.218 121.223 0.174 0.000 2.217 278 L HA -0.059 4.280 4.340 -0.001 0.000 0.211 278 L C 2.346 179.493 176.870 0.461 0.000 1.107 278 L CA 0.540 55.603 54.840 0.372 0.000 0.783 278 L CB -0.254 42.030 42.059 0.375 0.000 0.919 278 L HN 0.203 nan 8.230 nan 0.000 0.442 279 L N -0.497 120.806 121.223 0.133 0.000 2.056 279 L HA -0.212 4.128 4.340 -0.001 0.000 0.207 279 L C 2.852 179.462 176.870 -0.434 0.000 1.078 279 L CA 1.170 55.821 54.840 -0.315 0.000 0.749 279 L CB -0.426 41.357 42.059 -0.459 0.000 0.901 279 L HN 0.264 nan 8.230 nan 0.000 0.433 280 R N -0.275 119.873 120.500 -0.586 0.000 2.083 280 R HA -0.235 4.105 4.340 -0.001 0.000 0.237 280 R C 2.352 178.535 176.300 -0.195 0.000 1.137 280 R CA 1.917 57.718 56.100 -0.498 0.000 0.951 280 R CB -0.380 29.714 30.300 -0.344 0.000 0.851 280 R HN 0.202 nan 8.270 nan 0.000 0.434 281 F N -0.613 119.203 119.950 -0.224 0.000 2.187 281 F HA -0.091 4.435 4.527 -0.002 0.000 0.295 281 F C 0.884 176.512 175.800 -0.287 0.000 1.091 281 F CA 1.107 58.931 58.000 -0.293 0.000 1.308 281 F CB 0.251 39.050 39.000 -0.335 0.000 1.030 281 F HN 0.040 nan 8.300 nan 0.000 0.487 282 Y N -0.024 120.532 120.300 0.426 0.000 2.636 282 Y HA 0.339 4.888 4.550 -0.002 0.000 0.260 282 Y C 1.176 177.296 175.900 0.366 0.000 1.177 282 Y CA -0.568 57.837 58.100 0.509 0.000 1.209 282 Y CB -0.362 38.465 38.460 0.611 0.000 1.166 282 Y HN -0.109 nan 8.280 nan 0.000 0.531 283 G N 2.176 111.101 108.800 0.209 0.000 2.138 283 G HA2 0.016 3.976 3.960 -0.001 0.000 0.256 283 G HA3 0.016 3.976 3.960 -0.001 0.000 0.256 283 G C -1.652 173.337 174.900 0.150 0.000 1.141 283 G CA -0.604 44.523 45.100 0.045 0.000 0.967 283 G HN 0.208 nan 8.290 nan 0.000 0.435 284 P HA 0.011 nan 4.420 nan 0.000 0.218 284 P C 1.140 178.483 177.300 0.073 0.000 1.149 284 P CA 1.304 64.473 63.100 0.114 0.000 0.817 284 P CB 0.327 32.065 31.700 0.064 0.000 0.785 285 A N -0.153 122.712 122.820 0.076 0.000 2.340 285 A HA 0.586 4.906 4.320 -0.001 0.000 0.268 285 A C -0.038 177.585 177.584 0.064 0.000 1.100 285 A CA 0.043 52.127 52.037 0.080 0.000 0.803 285 A CB -0.005 19.073 19.000 0.129 0.000 1.043 285 A HN -0.055 nan 8.150 nan 0.000 0.488 286 M N 2.297 121.810 119.600 -0.145 0.000 2.327 286 M HA 0.447 4.926 4.480 -0.001 0.000 0.298 286 M C -1.147 174.905 176.300 -0.413 0.000 1.065 286 M CA -0.523 54.514 55.300 -0.437 0.000 0.916 286 M CB 2.002 34.232 32.600 -0.618 0.000 1.630 286 M HN 0.500 nan 8.290 nan 0.000 0.442 287 V N 1.848 121.425 119.914 -0.562 0.000 2.864 287 V HA 0.964 5.083 4.120 -0.001 0.000 0.314 287 V C -0.219 175.667 176.094 -0.346 0.000 1.073 287 V CA -0.217 61.866 62.300 -0.362 0.000 0.956 287 V CB 2.359 34.055 31.823 -0.211 0.000 1.023 287 V HN 0.957 nan 8.190 nan 0.000 0.435 288 G N 3.624 112.276 108.800 -0.248 0.000 2.491 288 G HA2 0.774 4.733 3.960 -0.001 0.000 0.327 288 G HA3 0.774 4.733 3.960 -0.001 0.000 0.327 288 G C -1.170 173.634 174.900 -0.160 0.000 1.189 288 G CA -0.694 44.283 45.100 -0.204 0.000 0.956 288 G HN 0.572 nan 8.290 nan 0.000 0.491 289 R N -0.583 119.848 120.500 -0.114 0.000 2.584 289 R HA 0.318 4.658 4.340 -0.001 0.000 0.276 289 R C -1.658 174.674 176.300 0.053 0.000 1.046 289 R CA -0.896 55.198 56.100 -0.011 0.000 0.906 289 R CB 1.732 32.052 30.300 0.033 0.000 1.215 289 R HN 0.458 nan 8.270 nan 0.000 0.449 290 L N 2.835 124.095 121.223 0.062 0.000 2.275 290 L HA 0.387 4.726 4.340 -0.001 0.000 0.288 290 L C -0.572 176.344 176.870 0.077 0.000 1.046 290 L CA -0.442 54.430 54.840 0.053 0.000 0.805 290 L CB 1.522 43.596 42.059 0.025 0.000 1.193 290 L HN 0.342 nan 8.230 nan 0.000 0.426 291 V N 4.866 124.817 119.914 0.061 0.000 2.508 291 V HA 0.187 4.306 4.120 -0.001 0.000 0.281 291 V C 1.284 177.325 176.094 -0.089 0.000 1.041 291 V CA 0.656 62.902 62.300 -0.090 0.000 1.016 291 V CB 0.799 32.586 31.823 -0.060 0.000 0.984 291 V HN 1.008 nan 8.190 nan 0.000 0.478 292 T N 0.835 115.298 114.554 -0.152 0.000 2.971 292 T HA 0.213 4.563 4.350 -0.001 0.000 0.252 292 T C 0.299 174.938 174.700 -0.101 0.000 1.022 292 T CA -0.071 61.974 62.100 -0.091 0.000 0.980 292 T CB 0.165 68.993 68.868 -0.065 0.000 1.044 292 T HN 0.753 nan 8.240 nan 0.000 0.501 293 Q N 0.222 119.924 119.800 -0.162 0.000 2.377 293 Q HA 0.476 4.816 4.340 -0.001 0.000 0.279 293 Q C -1.185 174.718 176.000 -0.161 0.000 1.049 293 Q CA -0.996 54.729 55.803 -0.130 0.000 0.825 293 Q CB 1.617 30.288 28.738 -0.112 0.000 1.401 293 Q HN 0.260 nan 8.270 nan 0.000 0.404 294 E N 1.069 121.205 120.200 -0.105 0.000 2.502 294 E HA 0.175 4.524 4.350 -0.001 0.000 0.261 294 E C -1.366 175.156 176.600 -0.131 0.000 0.974 294 E CA 0.084 56.425 56.400 -0.098 0.000 0.936 294 E CB 0.933 30.597 29.700 -0.060 0.000 0.926 294 E HN 0.439 nan 8.360 nan 0.000 0.459 295 V N 3.729 123.556 119.914 -0.144 0.000 2.969 295 V HA 0.313 4.433 4.120 -0.001 0.000 0.304 295 V C -1.115 174.920 176.094 -0.099 0.000 1.192 295 V CA -0.478 61.738 62.300 -0.140 0.000 0.962 295 V CB 2.640 34.309 31.823 -0.258 0.000 1.045 295 V HN 0.743 nan 8.190 nan 0.000 0.428 296 T N 5.592 120.105 114.554 -0.068 0.000 2.767 296 T HA 0.689 5.039 4.350 -0.001 0.000 0.284 296 T C -0.767 173.904 174.700 -0.048 0.000 0.973 296 T CA -0.291 61.763 62.100 -0.076 0.000 0.996 296 T CB 1.325 70.154 68.868 -0.065 0.000 0.927 296 T HN 0.643 nan 8.240 nan 0.000 0.456 297 V N 3.407 123.272 119.914 -0.081 0.000 2.525 297 V HA 0.706 4.826 4.120 -0.001 0.000 0.299 297 V C 0.934 176.964 176.094 -0.107 0.000 1.034 297 V CA 0.018 62.280 62.300 -0.063 0.000 0.863 297 V CB 0.804 32.590 31.823 -0.062 0.000 0.999 297 V HN 1.210 nan 8.190 nan 0.000 0.423 298 G N 4.895 113.650 108.800 -0.076 0.000 2.591 298 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.298 298 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.298 298 G C 0.293 175.142 174.900 -0.086 0.000 1.195 298 G CA 0.673 45.727 45.100 -0.076 0.000 0.989 298 G HN 0.666 nan 8.290 nan 0.000 0.551 299 D N 0.791 121.132 120.400 -0.099 0.000 2.349 299 D HA 0.233 4.872 4.640 -0.001 0.000 0.214 299 D C 0.856 177.079 176.300 -0.130 0.000 1.063 299 D CA 0.237 54.182 54.000 -0.092 0.000 0.847 299 D CB 0.455 41.212 40.800 -0.072 0.000 0.933 299 D HN 0.284 nan 8.370 nan 0.000 0.513 300 I N 1.009 121.457 120.570 -0.204 0.000 2.437 300 I HA 0.210 4.380 4.170 -0.001 0.000 0.298 300 I C 0.442 176.372 176.117 -0.311 0.000 0.984 300 I CA -0.239 60.861 61.300 -0.333 0.000 1.214 300 I CB 1.646 39.267 38.000 -0.632 0.000 1.365 300 I HN -0.351 nan 8.210 nan 0.000 0.469 301 T N 7.188 121.583 114.554 -0.266 0.000 2.786 301 T HA 0.584 4.933 4.350 -0.001 0.000 0.283 301 T C 0.127 174.733 174.700 -0.157 0.000 0.992 301 T CA -0.484 61.512 62.100 -0.172 0.000 0.954 301 T CB 1.047 69.866 68.868 -0.082 0.000 0.934 301 T HN 0.342 nan 8.240 nan 0.000 0.440 302 M N 2.888 122.395 119.600 -0.155 0.000 2.478 302 M HA 0.517 4.996 4.480 -0.001 0.000 0.327 302 M C -0.037 176.288 176.300 0.043 0.000 1.187 302 M CA -0.828 54.469 55.300 -0.006 0.000 1.022 302 M CB 1.687 34.247 32.600 -0.067 0.000 1.629 302 M HN 0.287 nan 8.290 nan 0.000 0.461 303 K N 1.259 121.748 120.400 0.148 0.000 2.267 303 K HA 0.574 4.893 4.320 -0.001 0.000 0.246 303 K C -2.689 173.949 176.600 0.063 0.000 0.954 303 K CA -1.920 54.414 56.287 0.077 0.000 0.824 303 K CB 1.160 33.717 32.500 0.094 0.000 1.167 303 K HN 0.224 nan 8.250 nan 0.000 0.431 304 P HA -0.077 nan 4.420 nan 0.000 0.264 304 P C 0.588 177.915 177.300 0.045 0.000 1.183 304 P CA 1.100 64.203 63.100 0.005 0.000 0.763 304 P CB 0.485 32.179 31.700 -0.010 0.000 0.807 305 G N 1.414 110.244 108.800 0.050 0.000 2.258 305 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.233 305 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.233 305 G C 0.138 175.101 174.900 0.105 0.000 1.006 305 G CA -0.347 44.796 45.100 0.071 0.000 0.620 305 G HN 0.562 nan 8.290 nan 0.000 0.511 306 Q N 0.670 120.557 119.800 0.145 0.000 2.312 306 Q HA 0.586 4.926 4.340 -0.001 0.000 0.236 306 Q C -0.344 175.742 176.000 0.143 0.000 0.965 306 Q CA 0.288 56.215 55.803 0.207 0.000 0.894 306 Q CB 1.079 30.049 28.738 0.387 0.000 1.225 306 Q HN 0.216 nan 8.270 nan 0.000 0.478 307 T N 0.711 115.287 114.554 0.038 0.000 2.855 307 T HA 0.624 4.973 4.350 -0.001 0.000 0.281 307 T C -1.096 173.604 174.700 -0.001 0.000 1.007 307 T CA -0.625 61.380 62.100 -0.159 0.000 1.009 307 T CB 1.394 69.775 68.868 -0.811 0.000 0.983 307 T HN 0.623 nan 8.240 nan 0.000 0.455 308 A N 3.810 126.651 122.820 0.035 0.000 2.330 308 A HA 0.757 5.076 4.320 -0.001 0.000 0.313 308 A C -0.462 177.114 177.584 -0.013 0.000 1.124 308 A CA -0.758 51.354 52.037 0.125 0.000 0.774 308 A CB 0.716 19.798 19.000 0.137 0.000 1.198 308 A HN 0.654 nan 8.150 nan 0.000 0.465 309 M N 3.177 122.835 119.600 0.097 0.000 2.129 309 M HA 0.328 4.808 4.480 -0.001 0.000 0.348 309 M C -0.766 175.588 176.300 0.089 0.000 1.116 309 M CA -0.415 54.927 55.300 0.070 0.000 1.022 309 M CB 0.722 33.504 32.600 0.304 0.000 1.599 309 M HN 0.567 nan 8.290 nan 0.000 0.449 310 L N 3.579 124.694 121.223 -0.181 0.000 2.282 310 L HA 0.180 4.520 4.340 -0.001 0.000 0.287 310 L C -0.593 176.040 176.870 -0.395 0.000 1.075 310 L CA -0.411 54.238 54.840 -0.319 0.000 0.839 310 L CB 0.136 41.828 42.059 -0.611 0.000 1.219 310 L HN 0.632 nan 8.230 nan 0.000 0.434 311 W N 3.899 124.998 121.300 -0.336 0.000 1.606 311 W HA 0.243 4.902 4.660 -0.002 0.000 0.455 311 W C 1.106 177.514 176.519 -0.186 0.000 0.711 311 W CA -0.654 56.525 57.345 -0.277 0.000 1.876 311 W CB -0.737 28.609 29.460 -0.190 0.000 1.776 311 W HN 0.471 nan 8.180 nan 0.000 0.229 312 F N 2.127 122.043 119.950 -0.057 0.000 2.115 312 F HA -0.272 4.254 4.527 -0.001 0.000 0.300 312 F C 0.018 175.758 175.800 -0.100 0.000 1.092 312 F CA 0.869 58.831 58.000 -0.063 0.000 1.245 312 F CB -1.626 37.332 39.000 -0.071 0.000 0.995 312 F HN 0.064 nan 8.300 nan 0.000 0.481 313 P HA -0.186 nan 4.420 nan 0.000 0.218 313 P C 1.495 178.652 177.300 -0.238 0.000 1.148 313 P CA 1.250 64.217 63.100 -0.221 0.000 0.822 313 P CB -0.052 31.334 31.700 -0.522 0.000 0.784 314 I N -0.615 119.851 120.570 -0.175 0.000 2.333 314 I HA -0.078 4.091 4.170 -0.001 0.000 0.246 314 I C 2.214 178.359 176.117 0.047 0.000 1.106 314 I CA 1.143 62.392 61.300 -0.084 0.000 1.411 314 I CB -2.083 35.894 38.000 -0.039 0.000 1.082 314 I HN -0.103 nan 8.210 nan 0.000 0.420 315 A N 0.438 123.342 122.820 0.140 0.000 1.972 315 A HA -0.122 4.197 4.320 -0.001 0.000 0.219 315 A C 2.417 180.234 177.584 0.389 0.000 1.169 315 A CA 1.640 53.849 52.037 0.287 0.000 0.635 315 A CB -0.715 18.460 19.000 0.292 0.000 0.810 315 A HN 0.413 nan 8.150 nan 0.000 0.446 316 S N -0.654 115.163 115.700 0.195 0.000 2.547 316 S HA -0.019 4.450 4.470 -0.001 0.000 0.235 316 S C 1.419 175.904 174.600 -0.192 0.000 0.980 316 S CA 0.800 59.004 58.200 0.007 0.000 0.941 316 S CB -0.139 62.987 63.200 -0.123 0.000 0.763 316 S HN 0.630 nan 8.310 nan 0.000 0.532 317 R N 0.676 121.163 120.500 -0.021 0.000 2.543 317 R HA 0.191 4.530 4.340 -0.001 0.000 0.323 317 R C -0.532 175.832 176.300 0.107 0.000 1.002 317 R CA -0.224 55.863 56.100 -0.022 0.000 1.106 317 R CB 0.332 30.578 30.300 -0.090 0.000 1.280 317 R HN 0.130 nan 8.270 nan 0.000 0.549 318 D N 1.495 122.025 120.400 0.217 0.000 2.401 318 D HA 0.009 4.648 4.640 -0.001 0.000 0.254 318 D C 0.728 177.126 176.300 0.162 0.000 1.192 318 D CA 0.245 54.353 54.000 0.180 0.000 0.885 318 D CB 0.876 41.802 40.800 0.209 0.000 1.147 318 D HN 0.084 nan 8.370 nan 0.000 0.478 319 R N 1.871 122.426 120.500 0.092 0.000 2.189 319 R HA -0.041 4.299 4.340 -0.001 0.000 0.218 319 R C 1.992 178.295 176.300 0.005 0.000 1.074 319 R CA 0.471 56.610 56.100 0.065 0.000 0.991 319 R CB 0.118 30.446 30.300 0.047 0.000 0.883 319 R HN 0.291 nan 8.270 nan 0.000 0.457 320 S N 0.418 116.106 115.700 -0.019 0.000 2.428 320 S HA -0.036 4.433 4.470 -0.001 0.000 0.230 320 S C 1.749 176.223 174.600 -0.210 0.000 1.014 320 S CA 1.157 59.311 58.200 -0.077 0.000 0.957 320 S CB 0.248 63.422 63.200 -0.044 0.000 0.784 320 S HN 0.470 nan 8.310 nan 0.000 0.499 321 A N -0.358 122.261 122.820 -0.336 0.000 2.197 321 A HA 0.526 4.845 4.320 -0.001 0.000 0.210 321 A C 0.099 177.057 177.584 -1.043 0.000 1.180 321 A CA 0.049 51.584 52.037 -0.838 0.000 0.846 321 A CB 0.256 18.368 19.000 -1.480 0.000 0.884 321 A HN 0.354 nan 8.150 nan 0.000 0.487 322 F N -0.159 119.696 119.950 -0.159 0.000 2.581 322 F HA 0.435 4.962 4.527 -0.001 0.000 0.311 322 F C -1.091 174.682 175.800 -0.045 0.000 1.113 322 F CA -1.301 56.647 58.000 -0.086 0.000 0.935 322 F CB 1.418 40.389 39.000 -0.047 0.000 1.232 322 F HN -0.166 nan 8.300 nan 0.000 0.445 323 D N 0.879 121.362 120.400 0.138 0.000 2.302 323 D HA 0.310 4.949 4.640 -0.001 0.000 0.248 323 D C -0.028 176.336 176.300 0.105 0.000 1.094 323 D CA 0.358 54.410 54.000 0.086 0.000 0.897 323 D CB 1.159 41.989 40.800 0.050 0.000 1.200 323 D HN 0.573 nan 8.370 nan 0.000 0.429 324 S N 1.942 117.690 115.700 0.081 0.000 3.524 324 S HA -0.119 4.350 4.470 -0.001 0.000 0.377 324 S C -1.501 173.154 174.600 0.091 0.000 0.949 324 S CA 0.169 58.413 58.200 0.074 0.000 1.264 324 S CB -0.677 62.556 63.200 0.054 0.000 0.918 324 S HN 0.561 nan 8.310 nan 0.000 0.517 325 P HA -0.073 nan 4.420 nan 0.000 0.222 325 P C 0.617 177.995 177.300 0.131 0.000 1.147 325 P CA 0.940 64.096 63.100 0.093 0.000 0.790 325 P CB 0.092 31.854 31.700 0.103 0.000 0.780 326 D N -0.480 120.009 120.400 0.148 0.000 2.340 326 D HA 0.037 4.676 4.640 -0.001 0.000 0.220 326 D C 0.088 176.524 176.300 0.227 0.000 1.039 326 D CA 0.445 54.591 54.000 0.244 0.000 0.866 326 D CB -0.386 40.512 40.800 0.164 0.000 0.913 326 D HN 0.308 nan 8.370 nan 0.000 0.523 327 N N -0.032 118.723 118.700 0.092 0.000 2.399 327 N HA 0.329 5.068 4.740 -0.001 0.000 0.295 327 N C -0.293 175.123 175.510 -0.156 0.000 1.048 327 N CA -0.480 52.546 53.050 -0.040 0.000 0.886 327 N CB 2.148 40.631 38.487 -0.006 0.000 1.185 327 N HN -0.113 nan 8.380 nan 0.000 0.487 328 I N 2.222 122.602 120.570 -0.317 0.000 2.311 328 I HA 0.083 4.252 4.170 -0.001 0.000 0.297 328 I C -0.505 175.528 176.117 -0.139 0.000 1.131 328 I CA -0.328 60.786 61.300 -0.310 0.000 1.289 328 I CB 0.097 37.856 38.000 -0.401 0.000 1.446 328 I HN 0.177 nan 8.210 nan 0.000 0.524 329 V N 7.751 127.620 119.914 -0.074 0.000 2.320 329 V HA 0.092 4.212 4.120 -0.001 0.000 0.265 329 V C 1.373 177.455 176.094 -0.020 0.000 1.048 329 V CA -0.310 61.970 62.300 -0.033 0.000 0.865 329 V CB 0.898 32.719 31.823 -0.003 0.000 1.043 329 V HN 0.674 nan 8.190 nan 0.000 0.474 330 I N 2.087 122.641 120.570 -0.027 0.000 2.567 330 I HA -0.095 4.074 4.170 -0.001 0.000 0.257 330 I C 1.789 177.906 176.117 -0.000 0.000 1.184 330 I CA 1.448 62.741 61.300 -0.012 0.000 1.451 330 I CB -0.083 37.908 38.000 -0.015 0.000 1.089 330 I HN 0.671 nan 8.210 nan 0.000 0.441 331 E N 2.706 122.901 120.200 -0.009 0.000 2.465 331 E HA -0.000 4.349 4.350 -0.001 0.000 0.191 331 E C 0.660 177.271 176.600 0.017 0.000 1.053 331 E CA -0.415 55.981 56.400 -0.005 0.000 0.869 331 E CB -0.257 29.426 29.700 -0.028 0.000 0.977 331 E HN 0.558 nan 8.360 nan 0.000 0.483 332 R N 0.935 121.455 120.500 0.033 0.000 2.522 332 R HA 0.120 4.460 4.340 -0.001 0.000 0.284 332 R C -0.858 175.487 176.300 0.075 0.000 1.032 332 R CA 0.735 56.871 56.100 0.060 0.000 1.049 332 R CB 0.491 30.842 30.300 0.084 0.000 0.956 332 R HN -0.003 nan 8.270 nan 0.000 0.422 333 T N 3.907 118.502 114.554 0.069 0.000 3.012 333 T HA 0.293 4.642 4.350 -0.001 0.000 0.330 333 T C -1.669 173.059 174.700 0.047 0.000 1.321 333 T CA -1.112 61.025 62.100 0.062 0.000 1.067 333 T CB 1.482 70.375 68.868 0.041 0.000 1.235 333 T HN 0.677 nan 8.240 nan 0.000 0.479 334 P HA 0.049 nan 4.420 nan 0.000 0.226 334 P C 0.248 177.599 177.300 0.086 0.000 1.153 334 P CA 0.508 63.633 63.100 0.042 0.000 0.777 334 P CB -0.268 31.439 31.700 0.010 0.000 0.794 335 N N 0.617 119.406 118.700 0.148 0.000 2.667 335 N HA -0.154 4.585 4.740 -0.001 0.000 0.263 335 N C -0.511 175.163 175.510 0.273 0.000 1.038 335 N CA 0.007 53.239 53.050 0.303 0.000 0.749 335 N CB -0.687 37.959 38.487 0.265 0.000 0.892 335 N HN 0.235 nan 8.380 nan 0.000 0.546 336 R N 1.444 122.065 120.500 0.203 0.000 4.496 336 R HA 0.048 4.387 4.340 -0.001 0.000 0.211 336 R C 0.317 176.789 176.300 0.287 0.000 1.738 336 R CA -0.321 55.838 56.100 0.098 0.000 1.528 336 R CB -0.412 29.901 30.300 0.020 0.000 1.414 336 R HN 0.493 nan 8.270 nan 0.000 0.812 337 H N -1.835 117.463 119.070 0.380 0.000 2.660 337 H HA 0.111 4.666 4.556 -0.001 0.000 0.374 337 H C 0.613 176.001 175.328 0.100 0.000 1.291 337 H CA -0.588 55.673 56.048 0.355 0.000 1.437 337 H CB 0.753 30.570 29.762 0.091 0.000 1.509 337 H HN 0.142 nan 8.280 nan 0.000 0.614 338 L N 1.086 122.380 121.223 0.119 0.000 2.818 338 L HA 0.170 4.509 4.340 -0.001 0.000 0.243 338 L C 1.389 177.907 176.870 -0.585 0.000 1.185 338 L CA -0.027 54.626 54.840 -0.311 0.000 0.988 338 L CB 0.102 41.901 42.059 -0.432 0.000 1.292 338 L HN 0.665 nan 8.230 nan 0.000 0.519 339 S N 0.583 116.249 115.700 -0.057 0.000 2.419 339 S HA -0.026 4.443 4.470 -0.001 0.000 0.233 339 S C 1.472 175.949 174.600 -0.206 0.000 1.016 339 S CA 1.087 59.196 58.200 -0.151 0.000 0.974 339 S CB -0.025 63.106 63.200 -0.115 0.000 0.786 339 S HN 0.410 nan 8.310 nan 0.000 0.492 340 L N 0.943 122.073 121.223 -0.155 0.000 2.872 340 L HA 0.355 4.695 4.340 -0.001 0.000 0.245 340 L C 1.082 177.851 176.870 -0.168 0.000 1.211 340 L CA -0.280 54.483 54.840 -0.128 0.000 1.013 340 L CB -0.464 41.562 42.059 -0.054 0.000 1.326 340 L HN 0.384 nan 8.230 nan 0.000 0.525 341 G N 0.369 108.947 108.800 -0.369 0.000 2.693 341 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.226 341 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.226 341 G C -0.844 174.013 174.900 -0.071 0.000 1.354 341 G CA -0.231 44.728 45.100 -0.235 0.000 0.873 341 G HN 0.509 nan 8.290 nan 0.000 0.562 342 H N -1.287 117.726 119.070 -0.095 0.000 3.114 342 H HA 0.659 5.214 4.556 -0.001 0.000 0.325 342 H C 0.462 175.774 175.328 -0.025 0.000 1.206 342 H CA 1.861 57.863 56.048 -0.076 0.000 1.316 342 H CB 1.055 30.754 29.762 -0.105 0.000 1.981 342 H HN 2.722 nan 8.280 nan 0.000 0.527 343 G N 2.013 110.498 108.800 -0.526 0.000 2.587 343 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.212 343 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.212 343 G C 1.278 176.070 174.900 -0.179 0.000 1.327 343 G CA 0.127 45.040 45.100 -0.312 0.000 0.898 343 G HN 1.361 nan 8.290 nan 0.000 0.551 344 I N -2.590 117.872 120.570 -0.179 0.000 2.530 344 I HA 0.000 4.170 4.170 -0.001 0.000 0.257 344 I C 1.660 177.603 176.117 -0.290 0.000 1.179 344 I CA 2.241 63.394 61.300 -0.245 0.000 1.440 344 I CB -0.332 37.438 38.000 -0.382 0.000 1.087 344 I HN 0.451 nan 8.210 nan 0.000 0.440 345 H N 1.014 120.052 119.070 -0.053 0.000 2.568 345 H HA 0.356 4.911 4.556 -0.001 0.000 0.302 345 H C 0.597 175.935 175.328 0.016 0.000 1.065 345 H CA -0.503 55.556 56.048 0.019 0.000 1.140 345 H CB -0.079 29.673 29.762 -0.017 0.000 1.474 345 H HN 0.243 nan 8.280 nan 0.000 0.545 346 R N 0.305 120.825 120.500 0.034 0.000 2.973 346 R HA -0.071 4.268 4.340 -0.001 0.000 0.277 346 R C 0.051 176.368 176.300 0.029 0.000 1.000 346 R CA 0.292 56.398 56.100 0.010 0.000 1.175 346 R CB 0.268 30.552 30.300 -0.028 0.000 1.113 346 R HN 0.409 nan 8.270 nan 0.000 0.495 347 C N 2.757 122.057 119.300 -0.000 0.000 2.527 347 C HA 0.137 4.596 4.460 -0.001 0.000 0.396 347 C C 1.899 176.868 174.990 -0.035 0.000 1.289 347 C CA -0.773 58.236 59.018 -0.014 0.000 2.047 347 C CB -0.213 27.508 27.740 -0.031 0.000 2.568 347 C HN 0.809 nan 8.230 nan 0.000 0.573 348 L N 5.160 126.328 121.223 -0.091 0.000 2.201 348 L HA 0.206 4.545 4.340 -0.001 0.000 0.212 348 L C 2.141 178.912 176.870 -0.166 0.000 1.105 348 L CA 2.321 57.064 54.840 -0.161 0.000 0.775 348 L CB -0.571 41.281 42.059 -0.345 0.000 0.913 348 L HN 0.969 nan 8.230 nan 0.000 0.440 349 G N -2.019 106.685 108.800 -0.159 0.000 3.233 349 G HA2 0.202 4.161 3.960 -0.001 0.000 0.227 349 G HA3 0.202 4.161 3.960 -0.001 0.000 0.227 349 G C 1.457 176.378 174.900 0.035 0.000 1.175 349 G CA 0.448 45.523 45.100 -0.041 0.000 0.781 349 G HN 0.531 nan 8.290 nan 0.000 0.542 350 A N 0.959 123.801 122.820 0.036 0.000 1.859 350 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 350 A C 2.025 179.656 177.584 0.078 0.000 1.198 350 A CA 2.207 54.270 52.037 0.044 0.000 0.629 350 A CB -0.809 18.220 19.000 0.048 0.000 0.830 350 A HN 0.495 nan 8.150 nan 0.000 0.446 351 H N -1.043 118.064 119.070 0.062 0.000 2.357 351 H HA -0.054 4.502 4.556 -0.001 0.000 0.301 351 H C 1.784 177.161 175.328 0.083 0.000 1.082 351 H CA 1.619 57.710 56.048 0.072 0.000 1.342 351 H CB -0.222 29.589 29.762 0.081 0.000 1.389 351 H HN 0.319 nan 8.280 nan 0.000 0.511 352 L N -0.010 121.273 121.223 0.101 0.000 2.042 352 L HA -0.111 4.228 4.340 -0.001 0.000 0.210 352 L C 2.237 179.100 176.870 -0.012 0.000 1.076 352 L CA 1.548 56.422 54.840 0.056 0.000 0.749 352 L CB -0.941 41.215 42.059 0.161 0.000 0.893 352 L HN 0.453 nan 8.230 nan 0.000 0.432 353 I N -0.457 120.112 120.570 -0.002 0.000 2.286 353 I HA -0.244 3.925 4.170 -0.001 0.000 0.248 353 I C 2.595 178.710 176.117 -0.003 0.000 1.115 353 I CA 1.412 62.716 61.300 0.006 0.000 1.392 353 I CB -0.456 37.535 38.000 -0.014 0.000 1.065 353 I HN 0.259 nan 8.210 nan 0.000 0.418 354 R N -0.485 119.978 120.500 -0.062 0.000 2.081 354 R HA -0.125 4.214 4.340 -0.001 0.000 0.235 354 R C 2.222 178.467 176.300 -0.091 0.000 1.131 354 R CA 1.743 57.803 56.100 -0.067 0.000 0.960 354 R CB -0.576 29.655 30.300 -0.116 0.000 0.856 354 R HN 0.303 nan 8.270 nan 0.000 0.436 355 V N 1.159 120.968 119.914 -0.175 0.000 2.307 355 V HA -0.216 3.903 4.120 -0.001 0.000 0.245 355 V C 2.026 178.102 176.094 -0.030 0.000 1.045 355 V CA 1.782 64.017 62.300 -0.109 0.000 1.024 355 V CB -0.441 31.317 31.823 -0.109 0.000 0.651 355 V HN 0.339 nan 8.190 nan 0.000 0.449 356 E N 0.380 120.570 120.200 -0.016 0.000 2.058 356 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 356 E C 2.333 178.927 176.600 -0.009 0.000 0.997 356 E CA 1.430 57.831 56.400 0.001 0.000 0.801 356 E CB -0.350 29.357 29.700 0.011 0.000 0.746 356 E HN 0.594 nan 8.360 nan 0.000 0.450 357 A N 1.501 124.329 122.820 0.014 0.000 1.898 357 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 357 A C 2.110 179.671 177.584 -0.040 0.000 1.181 357 A CA 1.515 53.547 52.037 -0.008 0.000 0.620 357 A CB -0.462 18.626 19.000 0.146 0.000 0.819 357 A HN 0.094 nan 8.150 nan 0.000 0.442 358 R N -0.279 120.216 120.500 -0.008 0.000 2.073 358 R HA -0.106 4.234 4.340 -0.001 0.000 0.234 358 R C 1.906 178.200 176.300 -0.010 0.000 1.134 358 R CA 1.924 58.021 56.100 -0.006 0.000 0.952 358 R CB -0.425 29.877 30.300 0.004 0.000 0.850 358 R HN 0.299 nan 8.270 nan 0.000 0.433 359 V N 1.118 121.029 119.914 -0.006 0.000 2.358 359 V HA -0.193 3.927 4.120 -0.001 0.000 0.246 359 V C 2.542 178.635 176.094 -0.001 0.000 1.047 359 V CA 1.866 64.168 62.300 0.004 0.000 1.035 359 V CB -0.731 31.101 31.823 0.015 0.000 0.658 359 V HN 0.553 nan 8.190 nan 0.000 0.452 360 A N -0.072 122.731 122.820 -0.028 0.000 1.902 360 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 360 A C 2.188 179.748 177.584 -0.040 0.000 1.181 360 A CA 1.930 53.944 52.037 -0.038 0.000 0.623 360 A CB -0.515 18.416 19.000 -0.114 0.000 0.818 360 A HN 0.502 nan 8.150 nan 0.000 0.443 361 I N -0.633 119.873 120.570 -0.107 0.000 2.202 361 I HA -0.205 3.964 4.170 -0.001 0.000 0.242 361 I C 2.632 178.772 176.117 0.038 0.000 1.091 361 I CA 1.683 62.937 61.300 -0.078 0.000 1.368 361 I CB -0.737 37.196 38.000 -0.113 0.000 1.058 361 I HN 0.259 nan 8.210 nan 0.000 0.410 362 T N 0.424 114.989 114.554 0.019 0.000 2.635 362 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 362 T C 1.802 176.524 174.700 0.036 0.000 1.040 362 T CA 1.414 63.531 62.100 0.028 0.000 1.156 362 T CB -0.243 68.636 68.868 0.019 0.000 0.863 362 T HN 0.296 nan 8.240 nan 0.000 0.430 363 E N 0.441 120.665 120.200 0.040 0.000 2.106 363 E HA -0.024 4.325 4.350 -0.001 0.000 0.192 363 E C 1.895 178.508 176.600 0.022 0.000 0.984 363 E CA 0.657 57.073 56.400 0.027 0.000 0.806 363 E CB -0.493 29.223 29.700 0.028 0.000 0.750 363 E HN 0.525 nan 8.360 nan 0.000 0.458 364 F N 1.271 121.180 119.950 -0.068 0.000 2.146 364 F HA -0.092 4.434 4.527 -0.002 0.000 0.298 364 F C 2.115 177.855 175.800 -0.100 0.000 1.096 364 F CA 1.047 58.981 58.000 -0.111 0.000 1.275 364 F CB -0.099 38.877 39.000 -0.041 0.000 1.008 364 F HN -0.091 nan 8.300 nan 0.000 0.480 365 L N -0.030 121.222 121.223 0.048 0.000 2.217 365 L HA -0.158 4.181 4.340 -0.001 0.000 0.211 365 L C 2.442 179.268 176.870 -0.073 0.000 1.107 365 L CA 1.170 56.018 54.840 0.013 0.000 0.783 365 L CB -0.640 41.491 42.059 0.120 0.000 0.919 365 L HN 0.108 nan 8.230 nan 0.000 0.442 366 K N 0.039 120.399 120.400 -0.067 0.000 2.026 366 K HA -0.147 4.172 4.320 -0.001 0.000 0.208 366 K C 2.346 178.879 176.600 -0.111 0.000 1.048 366 K CA 1.146 57.394 56.287 -0.065 0.000 0.929 366 K CB 0.169 32.645 32.500 -0.040 0.000 0.713 366 K HN 0.126 nan 8.250 nan 0.000 0.439 367 R N -0.090 120.297 120.500 -0.188 0.000 2.100 367 R HA 0.144 4.484 4.340 -0.001 0.000 0.220 367 R C 0.658 176.775 176.300 -0.306 0.000 1.091 367 R CA 0.740 56.708 56.100 -0.220 0.000 0.986 367 R CB 0.253 30.416 30.300 -0.229 0.000 0.888 367 R HN 0.222 nan 8.270 nan 0.000 0.444 368 I N 2.027 122.276 120.570 -0.536 0.000 2.698 368 I HA 0.184 4.354 4.170 -0.001 0.000 0.276 368 I C -1.995 173.954 176.117 -0.281 0.000 1.166 368 I CA -1.698 59.279 61.300 -0.539 0.000 1.101 368 I CB 2.177 39.512 38.000 -1.109 0.000 1.305 368 I HN -0.201 nan 8.210 nan 0.000 0.526 369 P HA -0.041 nan 4.420 nan 0.000 0.221 369 P C -0.217 177.196 177.300 0.189 0.000 1.150 369 P CA 1.186 64.329 63.100 0.073 0.000 0.800 369 P CB 0.310 32.023 31.700 0.022 0.000 0.787 370 E N -0.068 120.257 120.200 0.208 0.000 2.176 370 E HA 0.551 4.900 4.350 -0.001 0.000 0.267 370 E C -0.606 176.250 176.600 0.426 0.000 0.893 370 E CA -0.745 55.784 56.400 0.216 0.000 0.761 370 E CB 1.172 30.951 29.700 0.133 0.000 1.133 370 E HN 0.082 nan 8.360 nan 0.000 0.409 371 F N -0.314 119.719 119.950 0.138 0.000 2.807 371 F HA 0.697 5.223 4.527 -0.002 0.000 0.316 371 F C -1.025 174.884 175.800 0.183 0.000 1.162 371 F CA -0.956 57.182 58.000 0.230 0.000 0.910 371 F CB 1.152 40.325 39.000 0.289 0.000 1.314 371 F HN 0.378 nan 8.300 nan 0.000 0.454 372 S N 0.618 116.500 115.700 0.304 0.000 2.615 372 S HA 0.683 5.152 4.470 -0.001 0.000 0.269 372 S C -1.542 173.205 174.600 0.244 0.000 1.161 372 S CA -1.199 57.082 58.200 0.135 0.000 0.817 372 S CB 1.489 64.736 63.200 0.079 0.000 1.131 372 S HN 0.964 nan 8.310 nan 0.000 0.467 373 L N 2.091 123.425 121.223 0.185 0.000 2.455 373 L HA 0.271 4.610 4.340 -0.001 0.000 0.272 373 L C 0.425 177.397 176.870 0.170 0.000 1.174 373 L CA -0.312 54.654 54.840 0.211 0.000 0.869 373 L CB 0.172 42.346 42.059 0.191 0.000 1.130 373 L HN 0.739 nan 8.230 nan 0.000 0.474 374 D N 6.191 126.697 120.400 0.176 0.000 2.412 374 D HA 0.005 4.645 4.640 -0.001 0.000 0.257 374 D C -1.321 175.037 176.300 0.097 0.000 1.217 374 D CA -1.313 52.761 54.000 0.124 0.000 0.897 374 D CB 1.346 42.215 40.800 0.116 0.000 1.132 374 D HN 0.313 nan 8.370 nan 0.000 0.493 375 P HA -0.072 nan 4.420 nan 0.000 0.226 375 P C 0.391 177.716 177.300 0.042 0.000 1.153 375 P CA 0.605 63.736 63.100 0.052 0.000 0.777 375 P CB 0.562 32.285 31.700 0.038 0.000 0.794 376 N N -0.584 118.140 118.700 0.041 0.000 2.220 376 N HA 0.093 4.832 4.740 -0.001 0.000 0.195 376 N C 0.453 175.983 175.510 0.034 0.000 1.123 376 N CA 0.305 53.372 53.050 0.030 0.000 0.874 376 N CB 0.811 39.309 38.487 0.018 0.000 0.995 376 N HN 0.283 nan 8.380 nan 0.000 0.498 377 K N 0.780 121.211 120.400 0.052 0.000 2.259 377 K HA 0.311 4.630 4.320 -0.001 0.000 0.249 377 K C -0.488 176.155 176.600 0.072 0.000 0.942 377 K CA -0.661 55.659 56.287 0.054 0.000 0.816 377 K CB 2.043 34.582 32.500 0.066 0.000 1.155 377 K HN -0.193 nan 8.250 nan 0.000 0.428 378 E N 1.012 121.244 120.200 0.053 0.000 2.313 378 E HA 0.197 4.546 4.350 -0.001 0.000 0.272 378 E C -0.484 176.173 176.600 0.095 0.000 1.038 378 E CA -0.568 55.871 56.400 0.065 0.000 0.863 378 E CB 1.078 30.795 29.700 0.028 0.000 1.060 378 E HN 0.507 nan 8.360 nan 0.000 0.402 379 C N 1.569 120.950 119.300 0.135 0.000 2.382 379 C HA 0.486 4.945 4.460 -0.001 0.000 0.363 379 C C 0.499 175.551 174.990 0.103 0.000 1.213 379 C CA -0.370 58.747 59.018 0.165 0.000 2.363 379 C CB 0.369 28.244 27.740 0.224 0.000 2.397 379 C HN 0.717 nan 8.230 nan 0.000 0.573 380 E N 1.275 121.543 120.200 0.113 0.000 2.275 380 E HA 0.292 4.641 4.350 -0.001 0.000 0.270 380 E C -1.713 174.964 176.600 0.127 0.000 0.882 380 E CA -0.501 55.961 56.400 0.102 0.000 0.758 380 E CB 1.182 30.924 29.700 0.071 0.000 1.195 380 E HN 0.827 nan 8.360 nan 0.000 0.419 381 W N 7.030 128.287 121.300 -0.071 0.000 2.469 381 W HA 0.459 5.118 4.660 -0.002 0.000 0.320 381 W C -1.754 174.742 176.519 -0.039 0.000 1.086 381 W CA -0.918 56.368 57.345 -0.099 0.000 1.211 381 W CB 1.401 30.758 29.460 -0.173 0.000 1.298 381 W HN 0.511 nan 8.180 nan 0.000 0.525 382 L N 7.239 128.196 121.223 -0.444 0.000 2.289 382 L HA 0.434 4.773 4.340 -0.001 0.000 0.285 382 L C -0.189 176.520 176.870 -0.268 0.000 1.049 382 L CA -0.235 54.463 54.840 -0.235 0.000 0.804 382 L CB 1.259 43.202 42.059 -0.194 0.000 1.195 382 L HN 0.473 nan 8.230 nan 0.000 0.428 383 M N 3.507 123.094 119.600 -0.021 0.000 2.679 383 M HA 0.867 5.346 4.480 -0.001 0.000 0.287 383 M C 0.586 176.740 176.300 -0.243 0.000 1.202 383 M CA -0.138 55.159 55.300 -0.005 0.000 0.911 383 M CB 1.549 34.180 32.600 0.051 0.000 1.556 383 M HN 0.813 nan 8.290 nan 0.000 0.511 384 G N -0.228 108.285 108.800 -0.478 0.000 2.280 384 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.277 384 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.277 384 G C -0.500 174.082 174.900 -0.529 0.000 1.288 384 G CA -0.596 43.790 45.100 -1.189 0.000 1.075 384 G HN 0.647 nan 8.290 nan 0.000 0.480 385 Q N -1.128 118.477 119.800 -0.325 0.000 2.378 385 Q HA 0.258 4.597 4.340 -0.001 0.000 0.205 385 Q C 0.534 176.497 176.000 -0.061 0.000 0.954 385 Q CA 1.000 56.747 55.803 -0.094 0.000 0.901 385 Q CB 0.407 29.167 28.738 0.037 0.000 0.981 385 Q HN 0.316 nan 8.270 nan 0.000 0.483 386 V N 0.847 120.728 119.914 -0.055 0.000 2.409 386 V HA 0.568 4.687 4.120 -0.001 0.000 0.290 386 V C -0.772 175.261 176.094 -0.101 0.000 1.017 386 V CA -0.619 61.661 62.300 -0.032 0.000 0.841 386 V CB 1.354 33.185 31.823 0.012 0.000 1.003 386 V HN 0.083 nan 8.190 nan 0.000 0.426 387 A N 3.575 126.337 122.820 -0.095 0.000 2.374 387 A HA 1.073 5.393 4.320 -0.001 0.000 0.317 387 A C 0.111 177.395 177.584 -0.500 0.000 1.094 387 A CA -0.017 51.881 52.037 -0.232 0.000 0.765 387 A CB 2.042 21.107 19.000 0.108 0.000 1.268 387 A HN 1.520 nan 8.150 nan 0.000 0.438 388 G N 0.341 108.397 108.800 -1.241 0.000 2.313 388 G HA2 0.474 4.433 3.960 -0.001 0.000 0.296 388 G HA3 0.474 4.433 3.960 -0.001 0.000 0.296 388 G C -0.960 173.184 174.900 -1.259 0.000 1.356 388 G CA -0.991 43.265 45.100 -1.407 0.000 0.833 388 G HN 0.572 nan 8.290 nan 0.000 0.552 389 M N 0.654 119.825 119.600 -0.716 0.000 2.248 389 M HA 0.181 4.660 4.480 -0.001 0.000 0.345 389 M C 1.172 177.341 176.300 -0.219 0.000 1.243 389 M CA -0.281 54.824 55.300 -0.325 0.000 1.090 389 M CB 0.934 33.445 32.600 -0.148 0.000 1.683 389 M HN 0.566 nan 8.290 nan 0.000 0.450 390 L N 4.089 125.248 121.223 -0.107 0.000 2.316 390 L HA 0.172 4.512 4.340 -0.001 0.000 0.207 390 L C 0.256 177.086 176.870 -0.068 0.000 1.070 390 L CA 1.201 56.012 54.840 -0.048 0.000 0.820 390 L CB 0.191 42.301 42.059 0.085 0.000 0.992 390 L HN 0.573 nan 8.230 nan 0.000 0.466 391 H N -0.823 118.246 119.070 -0.002 0.000 2.782 391 H HA 0.556 5.111 4.556 -0.000 0.000 0.347 391 H C -1.349 174.030 175.328 0.084 0.000 1.038 391 H CA -0.581 55.490 56.048 0.039 0.000 1.255 391 H CB 2.095 31.882 29.762 0.041 0.000 1.623 391 H HN -0.272 nan 8.280 nan 0.000 0.525 392 V N 5.099 125.139 119.914 0.210 0.000 2.467 392 V HA 0.146 4.265 4.120 -0.001 0.000 0.260 392 V C -2.370 173.870 176.094 0.243 0.000 0.963 392 V CA -1.377 61.075 62.300 0.255 0.000 0.856 392 V CB 1.086 33.065 31.823 0.259 0.000 1.087 392 V HN 0.568 nan 8.190 nan 0.000 0.467 393 P HA 0.380 nan 4.420 nan 0.000 0.276 393 P C -0.436 177.018 177.300 0.257 0.000 1.243 393 P CA 0.213 63.446 63.100 0.222 0.000 0.768 393 P CB 1.497 33.301 31.700 0.173 0.000 0.856 394 I N 2.081 122.832 120.570 0.301 0.000 3.002 394 I HA 0.716 4.886 4.170 -0.001 0.000 0.310 394 I C -0.274 176.058 176.117 0.358 0.000 1.087 394 I CA -1.844 59.686 61.300 0.383 0.000 1.017 394 I CB 2.465 40.780 38.000 0.525 0.000 1.226 394 I HN 0.221 nan 8.210 nan 0.000 0.443 395 I N 1.148 121.926 120.570 0.347 0.000 2.689 395 I HA 0.847 5.016 4.170 -0.001 0.000 0.299 395 I C -1.389 174.917 176.117 0.315 0.000 1.059 395 I CA -0.661 60.718 61.300 0.131 0.000 1.055 395 I CB 2.192 40.220 38.000 0.046 0.000 1.243 395 I HN 0.806 nan 8.210 nan 0.000 0.425 396 F N 2.208 122.242 119.950 0.140 0.000 2.693 396 F HA 0.760 5.287 4.527 -0.001 0.000 0.309 396 F C -3.037 172.810 175.800 0.078 0.000 1.129 396 F CA -2.308 55.781 58.000 0.149 0.000 0.948 396 F CB 0.582 39.696 39.000 0.190 0.000 1.315 396 F HN 0.257 nan 8.300 nan 0.000 0.447 397 P HA 0.039 nan 4.420 nan 0.000 0.267 397 P C -0.667 176.731 177.300 0.163 0.000 1.205 397 P CA -0.231 62.938 63.100 0.114 0.000 0.765 397 P CB 1.252 33.020 31.700 0.115 0.000 0.828 398 K N 2.177 122.599 120.400 0.036 0.000 2.559 398 K HA 0.212 4.531 4.320 -0.001 0.000 0.279 398 K C 0.243 176.912 176.600 0.114 0.000 0.967 398 K CA 0.400 56.721 56.287 0.055 0.000 1.000 398 K CB -0.013 32.480 32.500 -0.011 0.000 0.890 398 K HN 0.671 nan 8.250 nan 0.000 0.501 399 G N 2.575 111.458 108.800 0.137 0.000 3.176 399 G HA2 0.422 4.382 3.960 -0.001 0.000 0.272 399 G HA3 0.422 4.382 3.960 -0.001 0.000 0.272 399 G C -1.461 173.474 174.900 0.058 0.000 1.349 399 G CA -0.898 44.256 45.100 0.090 0.000 0.953 399 G HN 0.559 nan 8.290 nan 0.000 0.559 400 K N 0.604 121.026 120.400 0.036 0.000 2.244 400 K HA 0.422 4.741 4.320 -0.001 0.000 0.260 400 K C -0.133 176.482 176.600 0.025 0.000 0.951 400 K CA -0.576 55.726 56.287 0.026 0.000 0.826 400 K CB 2.446 34.955 32.500 0.015 0.000 1.108 400 K HN 0.370 nan 8.250 nan 0.000 0.433 401 R N 1.851 122.367 120.500 0.026 0.000 2.734 401 R HA 0.050 4.389 4.340 -0.001 0.000 0.266 401 R C 0.928 177.240 176.300 0.019 0.000 1.044 401 R CA 0.001 56.118 56.100 0.029 0.000 1.128 401 R CB 0.292 30.608 30.300 0.026 0.000 1.010 401 R HN 0.551 nan 8.270 nan 0.000 0.461 402 L N -0.107 121.128 121.223 0.020 0.000 2.253 402 L HA 0.085 4.425 4.340 -0.001 0.000 0.205 402 L C 1.026 177.905 176.870 0.015 0.000 1.078 402 L CA 0.615 55.463 54.840 0.014 0.000 0.805 402 L CB 0.174 42.241 42.059 0.012 0.000 0.963 402 L HN 0.518 nan 8.230 nan 0.000 0.459 403 S N -0.947 114.765 115.700 0.019 0.000 2.600 403 S HA 0.424 4.893 4.470 -0.001 0.000 0.300 403 S C -0.501 174.110 174.600 0.018 0.000 1.087 403 S CA -0.456 57.755 58.200 0.018 0.000 0.965 403 S CB 1.225 64.438 63.200 0.020 0.000 1.089 403 S HN 0.252 nan 8.310 nan 0.000 0.496 404 E N 0.000 120.209 120.200 0.014 0.000 2.725 404 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 404 E CA 0.000 56.407 56.400 0.012 0.000 0.976 404 E CB 0.000 29.709 29.700 0.014 0.000 0.812 404 E HN 0.000 nan 8.360 nan 0.000 0.440