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 3cn8_1_B DATA FIRST_RESID 8 DATA SEQUENCE KKKVIIIGAG IAGLKAASTL HQNGIQDCLV LEARDRVGGR LQTVTGYQGR DATA SEQUENCE KYDIGASWHH DTLTNPLFLE EAQLSLNDGR TRFVFDDDNF IYIDEERGRV DATA SEQUENCE DHDKELLLEI VDNEMSKFAE LEFHQHLGVS DCSFFQLVMK YLLQRRQFLT DATA SEQUENCE NDQIRYLPQL CRYLELWHGL DWKLLSAKDT YFGHQGRNAF ALNYDSVVQR DATA SEQUENCE IAQSFPQNWL KLScEVKSIT REPSKNVTVN cEDGTVYNAD YVIITVPQSV DATA SEQUENCE LNLSVQPEKN LRGRIEFQPP LKPVIQDAFD KIHFGALGKV IFEFEECCWS DATA SEQUENCE NESSKIVTLA NSTNEFVEIV RNAENLDELD SMLEREXXXX XTSVTCWSQP DATA SEQUENCE LFFVNLSKST GVASFMMLMQ APLTNHIESI REDKERLFSF FQPVLNKIMK DATA SEQUENCE CLDSEDVIDG MRPIENIANA NKPVLRNIIV SNWTRDPYSR GAYSACFPGD DATA SEQUENCE DPVDMVVAMS NGQDSRIRFA GEHTIMDGAG CAYGAWESGR REATRISDLL DATA SEQUENCE KLEH 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 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.613 176.600 0.022 0.000 0.988 8 K CA 0.000 56.300 56.287 0.022 0.000 0.838 8 K CB 0.000 32.522 32.500 0.037 0.000 1.064 9 K N 0.571 120.976 120.400 0.008 0.000 2.385 9 K HA 0.530 4.850 4.320 0.000 0.000 0.248 9 K C -0.050 176.526 176.600 -0.039 0.000 0.955 9 K CA -0.661 55.607 56.287 -0.031 0.000 0.816 9 K CB 1.947 34.410 32.500 -0.062 0.000 1.250 9 K HN 0.150 nan 8.250 nan 0.000 0.434 10 K N 0.223 120.588 120.400 -0.058 0.000 2.029 10 K HA 0.104 4.425 4.320 0.000 0.000 0.205 10 K C 0.451 177.051 176.600 0.000 0.000 1.042 10 K CA 0.845 57.123 56.287 -0.013 0.000 0.949 10 K CB 0.295 32.785 32.500 -0.017 0.000 0.740 10 K HN 0.207 nan 8.250 nan 0.000 0.442 11 V N 1.994 121.847 119.914 -0.102 0.000 2.656 11 V HA 0.367 4.488 4.120 0.000 0.000 0.307 11 V C -0.628 175.344 176.094 -0.202 0.000 1.051 11 V CA -0.740 61.498 62.300 -0.104 0.000 0.893 11 V CB 2.123 33.864 31.823 -0.137 0.000 0.999 11 V HN 0.129 nan 8.190 nan 0.000 0.426 12 I N 5.137 125.617 120.570 -0.151 0.000 2.382 12 I HA 0.476 4.647 4.170 0.000 0.000 0.286 12 I C -0.684 175.337 176.117 -0.160 0.000 1.002 12 I CA -0.339 60.847 61.300 -0.189 0.000 1.135 12 I CB 1.692 39.600 38.000 -0.152 0.000 1.288 12 I HN 0.447 nan 8.210 nan 0.000 0.448 13 I N 7.319 127.777 120.570 -0.187 0.000 2.315 13 I HA 0.353 4.524 4.170 0.000 0.000 0.291 13 I C -0.143 175.910 176.117 -0.106 0.000 1.006 13 I CA -0.432 60.785 61.300 -0.137 0.000 1.265 13 I CB 1.151 39.060 38.000 -0.152 0.000 1.387 13 I HN 0.374 nan 8.210 nan 0.000 0.475 14 I N 6.198 126.729 120.570 -0.065 0.000 2.297 14 I HA 0.547 4.718 4.170 0.000 0.000 0.291 14 I C 0.521 176.635 176.117 -0.006 0.000 1.033 14 I CA -0.236 61.040 61.300 -0.041 0.000 1.253 14 I CB 1.023 39.013 38.000 -0.018 0.000 1.396 14 I HN 0.820 nan 8.210 nan 0.000 0.476 15 G N 4.433 113.225 108.800 -0.014 0.000 3.367 15 G HA2 0.113 4.074 3.960 0.000 0.000 0.686 15 G HA3 0.113 4.074 3.960 0.000 0.000 0.686 15 G C -0.324 174.590 174.900 0.023 0.000 1.146 15 G CA -0.368 44.738 45.100 0.011 0.000 0.913 15 G HN 0.902 nan 8.290 nan 0.000 0.554 16 A N 1.755 124.596 122.820 0.034 0.000 2.833 16 A HA 0.761 5.081 4.320 0.000 0.000 0.293 16 A C 1.438 179.074 177.584 0.087 0.000 1.338 16 A CA 1.120 53.200 52.037 0.071 0.000 0.959 16 A CB -0.264 18.785 19.000 0.083 0.000 1.094 16 A HN 2.103 nan 8.150 nan 0.000 0.569 17 G N -0.788 108.059 108.800 0.078 0.000 2.553 17 G HA2 0.336 4.297 3.960 0.000 0.000 0.278 17 G HA3 0.336 4.297 3.960 0.000 0.000 0.278 17 G C 0.989 175.952 174.900 0.105 0.000 1.349 17 G CA -0.172 44.975 45.100 0.079 0.000 1.037 17 G HN 0.390 nan 8.290 nan 0.000 0.508 18 I N -0.264 120.370 120.570 0.108 0.000 2.493 18 I HA -0.074 4.097 4.170 0.000 0.000 0.254 18 I C 2.694 178.922 176.117 0.186 0.000 1.160 18 I CA 1.449 62.856 61.300 0.178 0.000 1.445 18 I CB 0.015 38.134 38.000 0.198 0.000 1.086 18 I HN 0.437 nan 8.210 nan 0.000 0.433 19 A N 0.481 123.377 122.820 0.128 0.000 1.898 19 A HA -0.063 4.257 4.320 0.000 0.000 0.216 19 A C 2.331 179.944 177.584 0.048 0.000 1.181 19 A CA 1.528 53.617 52.037 0.087 0.000 0.620 19 A CB -1.411 17.634 19.000 0.075 0.000 0.819 19 A HN 0.481 nan 8.150 nan 0.000 0.442 20 G N -0.283 108.550 108.800 0.055 0.000 2.403 20 G HA2 -0.073 3.887 3.960 0.000 0.000 0.216 20 G HA3 -0.073 3.887 3.960 0.000 0.000 0.216 20 G C 1.533 176.441 174.900 0.013 0.000 1.154 20 G CA 0.936 46.047 45.100 0.019 0.000 0.784 20 G HN 0.416 nan 8.290 nan 0.000 0.538 21 L N -0.092 121.191 121.223 0.100 0.000 2.093 21 L HA 0.026 4.367 4.340 0.000 0.000 0.208 21 L C 2.820 179.792 176.870 0.171 0.000 1.085 21 L CA 0.826 55.783 54.840 0.195 0.000 0.755 21 L CB -0.283 41.958 42.059 0.304 0.000 0.904 21 L HN 0.049 nan 8.230 nan 0.000 0.435 22 K N 0.933 121.403 120.400 0.116 0.000 2.057 22 K HA -0.070 4.250 4.320 0.000 0.000 0.206 22 K C 2.101 178.661 176.600 -0.066 0.000 1.050 22 K CA 1.544 57.840 56.287 0.014 0.000 0.935 22 K CB -0.246 32.133 32.500 -0.203 0.000 0.715 22 K HN 0.227 nan 8.250 nan 0.000 0.439 23 A N 0.737 123.509 122.820 -0.081 0.000 1.978 23 A HA -0.096 4.225 4.320 0.000 0.000 0.220 23 A C 2.292 179.815 177.584 -0.102 0.000 1.170 23 A CA 2.095 54.071 52.037 -0.101 0.000 0.636 23 A CB -0.490 18.453 19.000 -0.095 0.000 0.810 23 A HN 0.381 nan 8.150 nan 0.000 0.448 24 A N -1.073 121.647 122.820 -0.167 0.000 1.874 24 A HA 0.018 4.338 4.320 0.000 0.000 0.214 24 A C 2.432 179.979 177.584 -0.061 0.000 1.189 24 A CA 1.757 53.630 52.037 -0.274 0.000 0.615 24 A CB -0.973 17.428 19.000 -0.998 0.000 0.830 24 A HN 0.571 nan 8.150 nan 0.000 0.443 25 S N -0.503 115.228 115.700 0.050 0.000 2.374 25 S HA -0.185 4.286 4.470 0.000 0.000 0.227 25 S C 2.061 176.771 174.600 0.183 0.000 1.037 25 S CA 2.518 60.890 58.200 0.287 0.000 1.024 25 S CB -0.642 62.730 63.200 0.287 0.000 0.861 25 S HN 0.616 nan 8.310 nan 0.000 0.456 26 T N 3.061 117.656 114.554 0.068 0.000 2.643 26 T HA 0.013 4.363 4.350 0.000 0.000 0.264 26 T C 1.814 176.549 174.700 0.059 0.000 1.045 26 T CA 1.570 63.683 62.100 0.021 0.000 1.155 26 T CB -0.635 68.194 68.868 -0.065 0.000 0.863 26 T HN 0.340 nan 8.240 nan 0.000 0.420 27 L N 0.329 121.595 121.223 0.071 0.000 2.021 27 L HA -0.248 4.092 4.340 0.000 0.000 0.215 27 L C 2.622 179.626 176.870 0.223 0.000 1.074 27 L CA 1.949 56.852 54.840 0.105 0.000 0.760 27 L CB -0.671 41.435 42.059 0.078 0.000 0.889 27 L HN 0.385 nan 8.230 nan 0.000 0.433 28 H N -0.270 118.940 119.070 0.234 0.000 2.389 28 H HA -0.198 4.358 4.556 0.000 0.000 0.299 28 H C 2.287 177.666 175.328 0.085 0.000 1.081 28 H CA 1.735 57.890 56.048 0.178 0.000 1.345 28 H CB 0.058 29.837 29.762 0.028 0.000 1.393 28 H HN 0.291 nan 8.280 nan 0.000 0.520 29 Q N -0.274 119.542 119.800 0.026 0.000 2.291 29 Q HA -0.080 4.261 4.340 0.000 0.000 0.206 29 Q C 0.157 176.115 176.000 -0.071 0.000 0.976 29 Q CA 1.058 56.832 55.803 -0.050 0.000 0.875 29 Q CB 0.236 28.984 28.738 0.017 0.000 0.927 29 Q HN 0.433 nan 8.270 nan 0.000 0.450 30 N N -0.449 118.228 118.700 -0.038 0.000 2.546 30 N HA 0.144 4.885 4.740 0.000 0.000 0.286 30 N C 0.077 175.569 175.510 -0.029 0.000 1.259 30 N CA 0.662 53.691 53.050 -0.035 0.000 0.939 30 N CB 0.786 39.257 38.487 -0.026 0.000 1.243 30 N HN 0.332 nan 8.380 nan 0.000 0.511 31 G N 0.527 109.284 108.800 -0.072 0.000 2.243 31 G HA2 -0.310 3.650 3.960 0.000 0.000 0.276 31 G HA3 -0.310 3.650 3.960 0.000 0.000 0.276 31 G C 0.451 175.380 174.900 0.048 0.000 0.997 31 G CA 0.163 45.237 45.100 -0.043 0.000 0.693 31 G HN 0.363 nan 8.290 nan 0.000 0.529 32 I N 0.399 121.021 120.570 0.087 0.000 2.752 32 I HA 0.124 4.294 4.170 0.000 0.000 0.287 32 I C 0.801 177.062 176.117 0.240 0.000 1.188 32 I CA 0.510 61.880 61.300 0.116 0.000 1.427 32 I CB 0.488 38.533 38.000 0.074 0.000 1.365 32 I HN 0.232 nan 8.210 nan 0.000 0.585 33 Q N 2.990 122.895 119.800 0.176 0.000 2.385 33 Q HA 0.275 4.615 4.340 0.000 0.000 0.262 33 Q C -0.715 175.350 176.000 0.109 0.000 1.050 33 Q CA -0.846 55.102 55.803 0.241 0.000 0.903 33 Q CB 0.646 29.484 28.738 0.167 0.000 1.325 33 Q HN 0.491 nan 8.270 nan 0.000 0.485 34 D N -0.230 120.247 120.400 0.129 0.000 2.890 34 D HA -0.160 4.481 4.640 0.000 0.000 0.226 34 D C -1.101 175.009 176.300 -0.318 0.000 1.207 34 D CA 0.661 54.637 54.000 -0.040 0.000 0.764 34 D CB -1.065 39.734 40.800 -0.001 0.000 0.948 34 D HN 0.340 nan 8.370 nan 0.000 0.404 35 C N 0.755 119.549 119.300 -0.843 0.000 2.634 35 C HA 0.870 5.330 4.460 0.000 0.000 0.313 35 C C -0.373 173.773 174.990 -1.406 0.000 1.198 35 C CA -0.978 57.362 59.018 -1.130 0.000 1.605 35 C CB 1.057 27.941 27.740 -1.427 0.000 2.196 35 C HN 0.479 nan 8.230 nan 0.000 0.486 36 L N 0.994 121.757 121.223 -0.767 0.000 2.376 36 L HA 0.958 5.298 4.340 0.000 0.000 0.258 36 L C -0.869 175.813 176.870 -0.313 0.000 1.013 36 L CA -0.747 53.815 54.840 -0.465 0.000 0.822 36 L CB 0.800 42.647 42.059 -0.354 0.000 1.388 36 L HN 0.328 nan 8.230 nan 0.000 0.413 37 V N 2.611 122.445 119.914 -0.134 0.000 2.357 37 V HA 0.490 4.610 4.120 0.000 0.000 0.284 37 V C -0.160 175.885 176.094 -0.083 0.000 1.018 37 V CA -0.404 61.842 62.300 -0.091 0.000 0.841 37 V CB 1.301 33.134 31.823 0.017 0.000 0.991 37 V HN 0.634 nan 8.190 nan 0.000 0.437 38 L N 4.408 125.558 121.223 -0.120 0.000 2.262 38 L HA 0.632 4.972 4.340 0.000 0.000 0.288 38 L C -0.137 176.689 176.870 -0.074 0.000 1.035 38 L CA -0.311 54.462 54.840 -0.111 0.000 0.820 38 L CB 1.311 43.281 42.059 -0.148 0.000 1.204 38 L HN 0.612 nan 8.230 nan 0.000 0.424 39 E N 2.353 122.516 120.200 -0.062 0.000 2.176 39 E HA 0.481 4.832 4.350 0.000 0.000 0.267 39 E C 0.305 176.817 176.600 -0.146 0.000 0.893 39 E CA -0.361 55.990 56.400 -0.081 0.000 0.761 39 E CB 2.069 31.748 29.700 -0.035 0.000 1.133 39 E HN 0.550 nan 8.360 nan 0.000 0.409 40 A N 5.536 128.188 122.820 -0.279 0.000 1.933 40 A HA -0.041 4.280 4.320 0.000 0.000 0.218 40 A C 1.099 178.411 177.584 -0.455 0.000 1.175 40 A CA 0.954 52.699 52.037 -0.485 0.000 0.628 40 A CB -0.198 18.171 19.000 -1.052 0.000 0.814 40 A HN 0.590 nan 8.150 nan 0.000 0.444 41 R N -0.209 120.079 120.500 -0.354 0.000 2.580 41 R HA 0.254 4.594 4.340 0.000 0.000 0.267 41 R C -0.126 176.145 176.300 -0.049 0.000 1.125 41 R CA 0.307 56.327 56.100 -0.133 0.000 1.188 41 R CB 0.070 30.351 30.300 -0.031 0.000 1.155 41 R HN 0.493 nan 8.270 nan 0.000 0.586 42 D N -0.482 119.919 120.400 0.002 0.000 2.370 42 D HA 0.038 4.679 4.640 0.000 0.000 0.230 42 D C -0.042 176.269 176.300 0.018 0.000 1.143 42 D CA -0.259 53.748 54.000 0.011 0.000 0.834 42 D CB 0.076 40.888 40.800 0.020 0.000 0.944 42 D HN 0.416 nan 8.370 nan 0.000 0.504 43 R N -1.410 119.103 120.500 0.022 0.000 2.752 43 R HA 0.635 4.975 4.340 0.000 0.000 0.271 43 R C -1.022 175.304 176.300 0.044 0.000 1.026 43 R CA -1.135 54.986 56.100 0.035 0.000 0.901 43 R CB 0.943 31.269 30.300 0.042 0.000 1.243 43 R HN -0.058 nan 8.270 nan 0.000 0.463 44 V N -2.300 117.648 119.914 0.057 0.000 3.193 44 V HA 0.884 5.005 4.120 0.000 0.000 0.320 44 V C 0.867 177.010 176.094 0.082 0.000 1.112 44 V CA 0.252 62.596 62.300 0.073 0.000 1.026 44 V CB 0.875 32.752 31.823 0.090 0.000 1.128 44 V HN 1.222 nan 8.190 nan 0.000 0.452 45 G N -1.015 107.838 108.800 0.088 0.000 2.259 45 G HA2 0.107 4.067 3.960 0.000 0.000 0.217 45 G HA3 0.107 4.067 3.960 0.000 0.000 0.217 45 G C 1.600 176.542 174.900 0.069 0.000 1.001 45 G CA 0.697 45.845 45.100 0.080 0.000 0.627 45 G HN 2.626 nan 8.290 nan 0.000 0.501 46 G N 0.563 109.421 108.800 0.096 0.000 2.685 46 G HA2 -0.416 3.545 3.960 0.000 0.000 0.329 46 G HA3 -0.416 3.545 3.960 0.000 0.000 0.329 46 G C 0.902 175.862 174.900 0.101 0.000 1.271 46 G CA 1.468 46.632 45.100 0.105 0.000 1.003 46 G HN 1.175 nan 8.290 nan 0.000 0.549 47 R N 0.093 120.527 120.500 -0.110 0.000 2.346 47 R HA 0.251 4.591 4.340 0.000 0.000 0.199 47 R C 0.430 176.529 176.300 -0.335 0.000 1.015 47 R CA 0.067 55.875 56.100 -0.487 0.000 1.058 47 R CB -0.298 29.655 30.300 -0.578 0.000 0.921 47 R HN 0.320 nan 8.270 nan 0.000 0.475 48 L N 1.426 122.571 121.223 -0.129 0.000 2.277 48 L HA 0.329 4.669 4.340 0.000 0.000 0.284 48 L C -0.474 176.425 176.870 0.048 0.000 1.028 48 L CA -0.299 54.460 54.840 -0.135 0.000 0.835 48 L CB 1.368 43.326 42.059 -0.168 0.000 1.215 48 L HN 0.065 nan 8.230 nan 0.000 0.425 49 Q N 2.595 122.466 119.800 0.118 0.000 2.263 49 Q HA 0.381 4.721 4.340 0.000 0.000 0.262 49 Q C -1.491 174.582 176.000 0.122 0.000 0.984 49 Q CA -0.508 55.392 55.803 0.162 0.000 0.813 49 Q CB 2.456 31.354 28.738 0.267 0.000 1.299 49 Q HN 0.520 nan 8.270 nan 0.000 0.428 50 T N 3.453 118.058 114.554 0.084 0.000 2.749 50 T HA 0.481 4.831 4.350 0.000 0.000 0.287 50 T C 0.073 174.815 174.700 0.069 0.000 0.970 50 T CA -0.489 61.652 62.100 0.069 0.000 0.980 50 T CB 0.885 69.776 68.868 0.038 0.000 0.924 50 T HN 0.483 nan 8.240 nan 0.000 0.456 51 V N 1.361 121.334 119.914 0.097 0.000 3.093 51 V HA 0.861 4.981 4.120 0.000 0.000 0.320 51 V C -0.088 176.075 176.094 0.116 0.000 1.093 51 V CA -0.763 61.592 62.300 0.091 0.000 1.016 51 V CB 1.720 33.592 31.823 0.082 0.000 1.096 51 V HN 0.758 nan 8.190 nan 0.000 0.452 52 T N 1.618 116.229 114.554 0.095 0.000 2.807 52 T HA 0.793 5.143 4.350 0.000 0.000 0.279 52 T C 0.298 175.081 174.700 0.139 0.000 0.993 52 T CA 0.287 62.442 62.100 0.092 0.000 0.970 52 T CB 1.344 70.235 68.868 0.038 0.000 0.950 52 T HN 1.296 nan 8.240 nan 0.000 0.441 53 G N 0.613 109.539 108.800 0.210 0.000 3.234 53 G HA2 0.458 4.418 3.960 0.000 0.000 0.159 53 G HA3 0.458 4.418 3.960 0.000 0.000 0.159 53 G C -0.993 174.042 174.900 0.226 0.000 1.175 53 G CA -0.637 44.606 45.100 0.238 0.000 0.900 53 G HN 0.582 nan 8.290 nan 0.000 0.621 54 Y N 1.642 122.005 120.300 0.106 0.000 2.810 54 Y HA 0.102 4.652 4.550 0.000 0.000 0.332 54 Y C 1.435 177.372 175.900 0.061 0.000 1.243 54 Y CA 1.204 59.343 58.100 0.066 0.000 1.537 54 Y CB 0.043 38.539 38.460 0.061 0.000 1.265 54 Y HN 0.703 nan 8.280 nan 0.000 0.572 55 Q N 3.508 123.090 119.800 -0.364 0.000 2.461 55 Q HA -0.281 4.059 4.340 0.000 0.000 0.264 55 Q C 1.026 176.941 176.000 -0.142 0.000 1.085 55 Q CA 0.910 56.506 55.803 -0.346 0.000 1.006 55 Q CB -1.951 26.499 28.738 -0.480 0.000 1.437 55 Q HN 1.346 nan 8.270 nan 0.000 0.514 56 G N -0.137 108.624 108.800 -0.065 0.000 2.159 56 G HA2 -0.360 3.600 3.960 0.000 0.000 0.256 56 G HA3 -0.360 3.600 3.960 0.000 0.000 0.256 56 G C 0.100 174.965 174.900 -0.059 0.000 0.977 56 G CA 0.320 45.392 45.100 -0.046 0.000 0.652 56 G HN 0.357 nan 8.290 nan 0.000 0.531 57 R N 0.368 120.841 120.500 -0.046 0.000 2.623 57 R HA 0.426 4.766 4.340 0.000 0.000 0.271 57 R C 0.337 176.440 176.300 -0.329 0.000 1.043 57 R CA 0.384 56.378 56.100 -0.177 0.000 1.083 57 R CB 0.487 30.731 30.300 -0.094 0.000 0.974 57 R HN 0.293 nan 8.270 nan 0.000 0.436 58 K N 2.502 122.600 120.400 -0.502 0.000 2.207 58 K HA 0.399 4.719 4.320 0.000 0.000 0.255 58 K C -1.211 175.001 176.600 -0.647 0.000 0.941 58 K CA -0.619 55.435 56.287 -0.388 0.000 0.825 58 K CB 1.626 34.020 32.500 -0.177 0.000 1.119 58 K HN 0.396 nan 8.250 nan 0.000 0.430 59 Y N -0.145 120.175 120.300 0.034 0.000 2.534 59 Y HA 0.188 4.738 4.550 0.000 0.000 0.345 59 Y C -0.591 175.312 175.900 0.003 0.000 1.031 59 Y CA -1.206 56.914 58.100 0.033 0.000 1.022 59 Y CB 1.713 40.199 38.460 0.043 0.000 1.292 59 Y HN 0.451 nan 8.280 nan 0.000 0.459 60 D N 2.416 122.889 120.400 0.122 0.000 2.347 60 D HA 0.159 4.799 4.640 0.000 0.000 0.235 60 D C 0.364 176.718 176.300 0.090 0.000 1.149 60 D CA 0.142 54.168 54.000 0.044 0.000 0.850 60 D CB 1.812 42.557 40.800 -0.093 0.000 1.061 60 D HN 0.551 nan 8.370 nan 0.000 0.487 61 I N 2.208 122.869 120.570 0.152 0.000 3.578 61 I HA 0.111 4.281 4.170 0.000 0.000 0.295 61 I C 1.265 177.634 176.117 0.421 0.000 1.280 61 I CA 0.361 61.786 61.300 0.208 0.000 1.347 61 I CB 0.290 38.368 38.000 0.129 0.000 1.051 61 I HN 0.392 nan 8.210 nan 0.000 0.460 62 G N -0.537 108.433 108.800 0.283 0.000 3.410 62 G HA2 0.582 4.542 3.960 0.000 0.000 0.189 62 G HA3 0.582 4.542 3.960 0.000 0.000 0.189 62 G C -0.179 174.649 174.900 -0.119 0.000 1.404 62 G CA 0.075 45.217 45.100 0.069 0.000 0.898 62 G HN 0.321 nan 8.290 nan 0.000 0.650 63 A N -0.608 122.035 122.820 -0.294 0.000 2.498 63 A HA 0.523 4.843 4.320 0.000 0.000 0.239 63 A C 1.023 178.420 177.584 -0.311 0.000 1.068 63 A CA 0.984 52.799 52.037 -0.371 0.000 0.766 63 A CB 0.894 19.479 19.000 -0.692 0.000 1.003 63 A HN 0.607 nan 8.150 nan 0.000 0.497 64 S N 0.680 116.246 115.700 -0.223 0.000 2.727 64 S HA 0.226 4.697 4.470 0.000 0.000 0.249 64 S C 0.007 174.232 174.600 -0.625 0.000 1.079 64 S CA -0.247 57.645 58.200 -0.513 0.000 0.912 64 S CB 0.088 62.757 63.200 -0.885 0.000 0.861 64 S HN 0.721 nan 8.310 nan 0.000 0.484 65 W N 1.843 123.047 121.300 -0.159 0.000 2.736 65 W HA 0.486 5.147 4.660 0.000 0.000 0.355 65 W C -0.500 175.749 176.519 -0.451 0.000 1.102 65 W CA -0.598 56.541 57.345 -0.343 0.000 1.164 65 W CB 0.337 29.548 29.460 -0.415 0.000 1.422 65 W HN 0.129 nan 8.180 nan 0.000 0.572 66 H N 1.889 120.903 119.070 -0.094 0.000 2.640 66 H HA 0.218 4.774 4.556 0.000 0.000 0.297 66 H C 0.202 175.385 175.328 -0.243 0.000 1.073 66 H CA 0.058 56.018 56.048 -0.146 0.000 1.305 66 H CB 0.594 30.195 29.762 -0.269 0.000 1.404 66 H HN 0.164 nan 8.280 nan 0.000 0.459 67 H N 1.902 121.085 119.070 0.188 0.000 2.495 67 H HA 0.028 4.584 4.556 0.000 0.000 0.350 67 H C 0.321 175.637 175.328 -0.020 0.000 1.202 67 H CA -0.296 55.816 56.048 0.107 0.000 1.322 67 H CB 0.933 30.814 29.762 0.199 0.000 1.544 67 H HN 0.654 nan 8.280 nan 0.000 0.565 68 D N 0.710 121.144 120.400 0.056 0.000 2.697 68 D HA -0.157 4.483 4.640 0.000 0.000 0.235 68 D C 1.168 177.351 176.300 -0.195 0.000 1.167 68 D CA 1.089 55.045 54.000 -0.074 0.000 0.656 68 D CB -1.569 39.237 40.800 0.011 0.000 1.025 68 D HN 0.782 nan 8.370 nan 0.000 0.419 69 T N -3.018 111.367 114.554 -0.280 0.000 2.996 69 T HA -0.129 4.221 4.350 0.000 0.000 0.271 69 T C 2.065 176.687 174.700 -0.130 0.000 1.126 69 T CA 0.531 62.372 62.100 -0.431 0.000 1.103 69 T CB 0.009 68.409 68.868 -0.780 0.000 0.870 69 T HN 0.432 nan 8.240 nan 0.000 0.528 70 L N 1.320 122.495 121.223 -0.081 0.000 2.156 70 L HA 0.026 4.366 4.340 0.000 0.000 0.208 70 L C 2.945 179.805 176.870 -0.015 0.000 1.095 70 L CA 1.613 56.442 54.840 -0.018 0.000 0.770 70 L CB -0.383 41.667 42.059 -0.015 0.000 0.914 70 L HN 0.570 nan 8.230 nan 0.000 0.439 71 T N -6.290 108.226 114.554 -0.063 0.000 2.958 71 T HA 0.010 4.360 4.350 0.000 0.000 0.256 71 T C 0.762 175.361 174.700 -0.169 0.000 0.983 71 T CA -0.388 61.671 62.100 -0.068 0.000 0.924 71 T CB -0.518 68.330 68.868 -0.034 0.000 1.136 71 T HN 0.133 nan 8.240 nan 0.000 0.506 72 N N 4.226 122.723 118.700 -0.338 0.000 2.394 72 N HA 0.030 4.770 4.740 0.000 0.000 0.277 72 N C -1.204 174.152 175.510 -0.257 0.000 1.346 72 N CA -1.016 51.659 53.050 -0.625 0.000 0.910 72 N CB 0.928 39.061 38.487 -0.590 0.000 1.201 72 N HN 0.179 nan 8.380 nan 0.000 0.488 73 P HA -0.158 nan 4.420 nan 0.000 0.221 73 P C 1.335 178.486 177.300 -0.247 0.000 1.150 73 P CA 0.531 63.617 63.100 -0.024 0.000 0.800 73 P CB 0.224 32.062 31.700 0.229 0.000 0.787 74 L N -0.737 120.183 121.223 -0.505 0.000 2.056 74 L HA -0.034 4.307 4.340 0.000 0.000 0.207 74 L C 2.450 179.005 176.870 -0.524 0.000 1.078 74 L CA 1.583 55.855 54.840 -0.946 0.000 0.749 74 L CB -1.699 39.847 42.059 -0.856 0.000 0.901 74 L HN -0.195 nan 8.230 nan 0.000 0.433 75 F N -0.163 119.479 119.950 -0.514 0.000 2.134 75 F HA -0.200 4.327 4.527 0.000 0.000 0.299 75 F C 2.020 177.543 175.800 -0.462 0.000 1.097 75 F CA 1.808 59.399 58.000 -0.683 0.000 1.264 75 F CB -0.377 38.238 39.000 -0.642 0.000 1.001 75 F HN 0.060 nan 8.300 nan 0.000 0.479 76 L N 0.144 121.103 121.223 -0.441 0.000 2.083 76 L HA -0.215 4.125 4.340 0.000 0.000 0.209 76 L C 2.520 179.189 176.870 -0.334 0.000 1.083 76 L CA 1.917 56.534 54.840 -0.371 0.000 0.752 76 L CB -0.926 41.064 42.059 -0.116 0.000 0.899 76 L HN 0.277 nan 8.230 nan 0.000 0.433 77 E N 0.269 120.304 120.200 -0.274 0.000 2.077 77 E HA -0.235 4.115 4.350 0.000 0.000 0.193 77 E C 2.045 178.519 176.600 -0.209 0.000 0.989 77 E CA 1.159 57.457 56.400 -0.170 0.000 0.800 77 E CB 0.140 29.775 29.700 -0.107 0.000 0.746 77 E HN 0.384 nan 8.360 nan 0.000 0.452 78 E N 0.114 120.115 120.200 -0.332 0.000 2.153 78 E HA -0.173 4.177 4.350 0.000 0.000 0.194 78 E C 1.973 178.474 176.600 -0.166 0.000 0.988 78 E CA 0.924 57.179 56.400 -0.241 0.000 0.811 78 E CB -0.156 29.364 29.700 -0.300 0.000 0.746 78 E HN 0.389 nan 8.360 nan 0.000 0.466 79 A N 1.335 123.928 122.820 -0.379 0.000 1.898 79 A HA -0.193 4.127 4.320 0.000 0.000 0.216 79 A C 2.150 179.681 177.584 -0.089 0.000 1.181 79 A CA 1.120 53.044 52.037 -0.189 0.000 0.620 79 A CB -0.284 18.455 19.000 -0.436 0.000 0.819 79 A HN 0.080 nan 8.150 nan 0.000 0.442 80 Q N -0.187 119.543 119.800 -0.116 0.000 2.084 80 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 80 Q C 2.181 178.152 176.000 -0.048 0.000 0.978 80 Q CA 1.265 57.031 55.803 -0.062 0.000 0.844 80 Q CB -0.501 28.206 28.738 -0.052 0.000 0.898 80 Q HN 0.738 nan 8.270 nan 0.000 0.426 81 L N -0.031 121.158 121.223 -0.056 0.000 2.042 81 L HA -0.199 4.142 4.340 0.000 0.000 0.210 81 L C 2.425 179.264 176.870 -0.052 0.000 1.076 81 L CA 1.134 55.947 54.840 -0.045 0.000 0.749 81 L CB -0.444 41.588 42.059 -0.044 0.000 0.893 81 L HN 0.097 nan 8.230 nan 0.000 0.432 82 S N -0.376 115.285 115.700 -0.064 0.000 2.402 82 S HA -0.105 4.365 4.470 0.000 0.000 0.229 82 S C 1.827 176.390 174.600 -0.061 0.000 1.021 82 S CA 0.765 58.910 58.200 -0.091 0.000 0.974 82 S CB -0.128 62.975 63.200 -0.162 0.000 0.800 82 S HN 0.161 nan 8.310 nan 0.000 0.484 83 L N 2.406 123.606 121.223 -0.037 0.000 2.093 83 L HA -0.010 4.330 4.340 0.000 0.000 0.208 83 L C 1.737 178.592 176.870 -0.025 0.000 1.085 83 L CA 1.563 56.389 54.840 -0.023 0.000 0.755 83 L CB -1.039 41.012 42.059 -0.013 0.000 0.904 83 L HN 0.189 nan 8.230 nan 0.000 0.435 84 N N -0.012 118.672 118.700 -0.027 0.000 2.171 84 N HA -0.130 4.611 4.740 0.000 0.000 0.184 84 N C 1.084 176.578 175.510 -0.027 0.000 1.021 84 N CA 1.522 54.558 53.050 -0.024 0.000 0.854 84 N CB -0.216 38.259 38.487 -0.021 0.000 0.994 84 N HN 0.565 nan 8.380 nan 0.000 0.426 85 D N -2.434 117.945 120.400 -0.035 0.000 2.433 85 D HA 0.242 4.882 4.640 0.000 0.000 0.211 85 D C 1.151 177.424 176.300 -0.045 0.000 1.114 85 D CA 0.348 54.325 54.000 -0.037 0.000 0.837 85 D CB -0.136 40.642 40.800 -0.038 0.000 0.984 85 D HN 0.153 nan 8.370 nan 0.000 0.505 86 G N -0.266 108.503 108.800 -0.052 0.000 2.196 86 G HA2 -0.357 3.604 3.960 0.000 0.000 0.268 86 G HA3 -0.357 3.604 3.960 0.000 0.000 0.268 86 G C 0.827 175.679 174.900 -0.079 0.000 0.975 86 G CA 0.576 45.640 45.100 -0.060 0.000 0.648 86 G HN 0.825 nan 8.290 nan 0.000 0.538 87 R N 0.333 120.783 120.500 -0.083 0.000 2.537 87 R HA 0.596 4.936 4.340 0.000 0.000 0.280 87 R C 0.571 176.782 176.300 -0.148 0.000 1.058 87 R CA 0.943 56.986 56.100 -0.095 0.000 1.057 87 R CB -0.095 nan 30.300 nan 0.000 0.973 87 R HN 0.567 nan 8.270 nan 0.000 0.438 88 T N 2.914 117.378 114.554 -0.150 0.000 2.737 88 T HA 0.243 4.594 4.350 0.000 0.000 0.296 88 T C 0.928 175.490 174.700 -0.231 0.000 0.922 88 T CA -0.088 61.879 62.100 -0.222 0.000 1.079 88 T CB 0.407 69.186 68.868 -0.149 0.000 0.892 88 T HN 0.646 nan 8.240 nan 0.000 0.514 89 R N 1.913 122.182 120.500 -0.385 0.000 2.404 89 R HA 0.293 4.633 4.340 0.000 0.000 0.237 89 R C -0.368 175.898 176.300 -0.057 0.000 0.907 89 R CA 0.132 56.111 56.100 -0.202 0.000 1.063 89 R CB 0.505 30.749 30.300 -0.093 0.000 1.134 89 R HN 0.673 nan 8.270 nan 0.000 0.529 90 F N -3.536 116.429 119.950 0.024 0.000 2.807 90 F HA 0.563 5.090 4.527 0.000 0.000 0.316 90 F C -1.576 174.285 175.800 0.102 0.000 1.162 90 F CA -1.619 56.417 58.000 0.059 0.000 0.910 90 F CB 1.017 40.079 39.000 0.102 0.000 1.314 90 F HN -0.326 nan 8.300 nan 0.000 0.454 91 V N 1.288 121.450 119.914 0.412 0.000 2.851 91 V HA 0.607 4.728 4.120 0.000 0.000 0.307 91 V C -1.712 174.545 176.094 0.272 0.000 1.129 91 V CA -0.888 61.620 62.300 0.347 0.000 0.932 91 V CB 2.026 33.989 31.823 0.233 0.000 1.024 91 V HN 0.709 nan 8.190 nan 0.000 0.426 92 F N 5.930 126.065 119.950 0.308 0.000 2.439 92 F HA 0.331 4.858 4.527 0.000 0.000 0.356 92 F C 1.292 177.212 175.800 0.200 0.000 1.161 92 F CA -0.237 57.905 58.000 0.236 0.000 1.151 92 F CB 0.687 39.791 39.000 0.174 0.000 1.222 92 F HN 0.728 nan 8.300 nan 0.000 0.558 93 D N 0.475 121.054 120.400 0.298 0.000 2.388 93 D HA -0.013 4.628 4.640 0.000 0.000 0.221 93 D C -0.094 176.331 176.300 0.208 0.000 1.133 93 D CA -0.165 53.970 54.000 0.225 0.000 0.831 93 D CB -0.301 40.602 40.800 0.171 0.000 0.962 93 D HN 0.203 nan 8.370 nan 0.000 0.502 94 D N 0.919 121.467 120.400 0.247 0.000 2.423 94 D HA 0.249 4.889 4.640 0.000 0.000 0.238 94 D C -0.150 176.247 176.300 0.162 0.000 1.142 94 D CA 0.690 54.826 54.000 0.227 0.000 0.884 94 D CB 1.146 42.112 40.800 0.277 0.000 1.199 94 D HN 0.171 nan 8.370 nan 0.000 0.438 95 D N 0.034 120.511 120.400 0.130 0.000 2.665 95 D HA 0.122 4.763 4.640 0.000 0.000 0.287 95 D C -1.140 175.223 176.300 0.106 0.000 1.266 95 D CA -0.580 53.458 54.000 0.064 0.000 0.830 95 D CB 1.232 42.012 40.800 -0.032 0.000 1.356 95 D HN 0.082 nan 8.370 nan 0.000 0.437 96 N N 0.997 119.742 118.700 0.076 0.000 2.470 96 N HA 0.175 4.916 4.740 0.000 0.000 0.268 96 N C -0.287 175.288 175.510 0.108 0.000 1.136 96 N CA 0.056 53.188 53.050 0.137 0.000 0.961 96 N CB 0.181 38.695 38.487 0.044 0.000 1.067 96 N HN 0.192 nan 8.380 nan 0.000 0.468 97 F N 1.727 121.657 119.950 -0.033 0.000 2.518 97 F HA 0.229 4.756 4.527 0.000 0.000 0.359 97 F C 1.219 176.919 175.800 -0.167 0.000 1.118 97 F CA -0.153 57.750 58.000 -0.162 0.000 1.287 97 F CB 0.414 39.197 39.000 -0.362 0.000 1.132 97 F HN 0.219 nan 8.300 nan 0.000 0.587 98 I N 4.085 124.580 120.570 -0.125 0.000 2.336 98 I HA 0.207 4.378 4.170 0.000 0.000 0.292 98 I C -1.033 175.006 176.117 -0.131 0.000 0.991 98 I CA -0.648 60.623 61.300 -0.048 0.000 1.227 98 I CB 0.883 38.845 38.000 -0.064 0.000 1.366 98 I HN 0.418 nan 8.210 nan 0.000 0.466 99 Y N 6.688 127.077 120.300 0.148 0.000 2.335 99 Y HA 0.563 5.113 4.550 0.000 0.000 0.338 99 Y C 0.002 175.983 175.900 0.136 0.000 0.977 99 Y CA -0.571 57.630 58.100 0.168 0.000 1.114 99 Y CB 1.494 40.051 38.460 0.161 0.000 1.182 99 Y HN 0.311 nan 8.280 nan 0.000 0.463 100 I N 3.536 124.282 120.570 0.292 0.000 2.436 100 I HA 0.245 4.415 4.170 0.000 0.000 0.289 100 I C -0.830 175.469 176.117 0.305 0.000 1.010 100 I CA -0.685 60.760 61.300 0.242 0.000 1.098 100 I CB 1.690 39.806 38.000 0.192 0.000 1.266 100 I HN 0.583 nan 8.210 nan 0.000 0.434 101 D N 5.679 126.203 120.400 0.207 0.000 2.278 101 D HA 0.089 4.729 4.640 0.000 0.000 0.245 101 D C 0.815 177.074 176.300 -0.068 0.000 1.052 101 D CA -0.262 53.827 54.000 0.149 0.000 0.834 101 D CB 2.134 43.059 40.800 0.208 0.000 1.194 101 D HN 0.741 nan 8.370 nan 0.000 0.481 102 E N 2.933 122.824 120.200 -0.514 0.000 2.065 102 E HA -0.292 4.058 4.350 0.000 0.000 0.201 102 E C 1.298 177.672 176.600 -0.376 0.000 1.016 102 E CA 1.749 57.609 56.400 -0.900 0.000 0.818 102 E CB 0.197 28.787 29.700 -1.850 0.000 0.749 102 E HN 0.667 nan 8.360 nan 0.000 0.453 103 E N -0.247 119.797 120.200 -0.260 0.000 2.042 103 E HA -0.153 4.197 4.350 0.000 0.000 0.189 103 E C 2.350 178.924 176.600 -0.043 0.000 0.974 103 E CA 0.547 56.873 56.400 -0.124 0.000 0.806 103 E CB -0.059 29.591 29.700 -0.084 0.000 0.769 103 E HN 0.083 nan 8.360 nan 0.000 0.451 104 R N -0.337 120.166 120.500 0.006 0.000 2.115 104 R HA 0.043 4.383 4.340 0.000 0.000 0.226 104 R C 0.918 177.213 176.300 -0.008 0.000 1.100 104 R CA 1.136 57.240 56.100 0.007 0.000 0.980 104 R CB 0.051 30.350 30.300 -0.001 0.000 0.875 104 R HN 0.355 nan 8.270 nan 0.000 0.445 105 G N 0.098 108.902 108.800 0.007 0.000 2.481 105 G HA2 -0.283 3.678 3.960 0.000 0.000 0.230 105 G HA3 -0.283 3.678 3.960 0.000 0.000 0.230 105 G C -1.128 173.801 174.900 0.048 0.000 1.210 105 G CA -0.202 44.914 45.100 0.028 0.000 0.936 105 G HN 0.321 nan 8.290 nan 0.000 0.583 106 R N 0.462 120.991 120.500 0.048 0.000 2.401 106 R HA 0.375 4.715 4.340 0.000 0.000 0.299 106 R C 1.232 177.559 176.300 0.045 0.000 1.064 106 R CA 0.513 56.656 56.100 0.072 0.000 1.000 106 R CB 0.956 31.298 30.300 0.070 0.000 0.973 106 R HN 1.121 nan 8.270 nan 0.000 0.438 107 V N -1.578 118.381 119.914 0.076 0.000 3.276 107 V HA 0.088 4.208 4.120 0.000 0.000 0.319 107 V C 0.162 176.298 176.094 0.071 0.000 1.427 107 V CA -0.426 61.872 62.300 -0.004 0.000 1.102 107 V CB -0.129 31.631 31.823 -0.105 0.000 1.020 107 V HN 0.681 nan 8.190 nan 0.000 0.456 108 D N -0.024 120.489 120.400 0.188 0.000 2.264 108 D HA 0.176 4.816 4.640 0.000 0.000 0.249 108 D C 0.471 176.921 176.300 0.249 0.000 1.070 108 D CA -0.376 53.788 54.000 0.274 0.000 0.912 108 D CB 0.877 41.926 40.800 0.415 0.000 1.193 108 D HN 0.358 nan 8.370 nan 0.000 0.427 109 H N -0.510 118.621 119.070 0.102 0.000 2.741 109 H HA -0.213 4.343 4.556 0.000 0.000 0.305 109 H C -0.911 174.442 175.328 0.041 0.000 1.169 109 H CA 0.917 57.006 56.048 0.069 0.000 1.144 109 H CB -1.122 28.687 29.762 0.079 0.000 1.397 109 H HN 0.463 nan 8.280 nan 0.000 0.409 110 D N 0.098 120.492 120.400 -0.010 0.000 2.312 110 D HA 0.236 4.876 4.640 0.000 0.000 0.252 110 D C 1.392 177.637 176.300 -0.092 0.000 1.150 110 D CA 0.692 54.664 54.000 -0.045 0.000 0.870 110 D CB 0.871 41.648 40.800 -0.038 0.000 1.153 110 D HN 0.649 nan 8.370 nan 0.000 0.457 111 K N 2.749 123.095 120.400 -0.090 0.000 2.280 111 K HA -0.143 4.178 4.320 0.000 0.000 0.202 111 K C 1.723 178.292 176.600 -0.052 0.000 1.047 111 K CA 2.089 58.326 56.287 -0.084 0.000 0.942 111 K CB -0.748 31.716 32.500 -0.060 0.000 0.739 111 K HN 0.698 nan 8.250 nan 0.000 0.457 112 E N -0.017 120.159 120.200 -0.040 0.000 2.330 112 E HA 0.337 4.687 4.350 0.000 0.000 0.200 112 E C 1.999 178.588 176.600 -0.019 0.000 0.922 112 E CA 0.521 56.906 56.400 -0.024 0.000 0.935 112 E CB -0.101 29.588 29.700 -0.019 0.000 0.917 112 E HN 0.449 nan 8.360 nan 0.000 0.491 113 L N -0.086 121.117 121.223 -0.033 0.000 2.209 113 L HA 0.234 4.574 4.340 0.000 0.000 0.207 113 L C 0.806 177.670 176.870 -0.010 0.000 1.094 113 L CA 0.193 55.018 54.840 -0.026 0.000 0.790 113 L CB -0.244 41.772 42.059 -0.071 0.000 0.932 113 L HN 0.264 nan 8.230 nan 0.000 0.447 114 L N 0.904 122.113 121.223 -0.025 0.000 4.054 114 L HA -0.282 4.059 4.340 0.000 0.000 0.475 114 L C 1.306 178.175 176.870 -0.000 0.000 1.166 114 L CA -0.146 54.683 54.840 -0.018 0.000 0.688 114 L CB -1.453 40.599 42.059 -0.012 0.000 1.512 114 L HN 0.359 nan 8.230 nan 0.000 0.799 115 L N -0.697 120.518 121.223 -0.013 0.000 2.093 115 L HA -0.173 4.167 4.340 0.000 0.000 0.208 115 L C 2.278 179.131 176.870 -0.028 0.000 1.085 115 L CA 1.386 56.215 54.840 -0.019 0.000 0.755 115 L CB -0.137 41.881 42.059 -0.068 0.000 0.904 115 L HN 0.403 nan 8.230 nan 0.000 0.435 116 E N 0.561 120.744 120.200 -0.028 0.000 2.110 116 E HA -0.179 4.171 4.350 0.000 0.000 0.193 116 E C 2.141 178.745 176.600 0.007 0.000 0.988 116 E CA 1.154 57.547 56.400 -0.013 0.000 0.804 116 E CB -0.213 29.507 29.700 0.033 0.000 0.745 116 E HN 0.432 nan 8.360 nan 0.000 0.458 117 I N 0.260 120.838 120.570 0.014 0.000 2.202 117 I HA -0.223 3.947 4.170 0.000 0.000 0.242 117 I C 2.251 178.384 176.117 0.026 0.000 1.091 117 I CA 0.969 62.280 61.300 0.018 0.000 1.368 117 I CB -0.363 37.647 38.000 0.017 0.000 1.058 117 I HN 0.086 nan 8.210 nan 0.000 0.410 118 V N -1.591 118.347 119.914 0.041 0.000 2.548 118 V HA -0.225 3.895 4.120 0.000 0.000 0.249 118 V C 2.054 178.158 176.094 0.017 0.000 1.055 118 V CA 2.082 64.425 62.300 0.072 0.000 1.065 118 V CB -0.871 31.027 31.823 0.125 0.000 0.681 118 V HN 0.358 nan 8.190 nan 0.000 0.462 119 D N 1.382 121.790 120.400 0.013 0.000 2.144 119 D HA -0.234 4.406 4.640 0.000 0.000 0.199 119 D C 1.978 178.275 176.300 -0.004 0.000 0.984 119 D CA 1.876 55.886 54.000 0.016 0.000 0.834 119 D CB -0.350 40.486 40.800 0.060 0.000 0.955 119 D HN 0.556 nan 8.370 nan 0.000 0.465 120 N N 0.268 118.964 118.700 -0.007 0.000 2.084 120 N HA -0.197 4.544 4.740 0.000 0.000 0.190 120 N C 1.646 177.123 175.510 -0.055 0.000 1.030 120 N CA 1.597 54.630 53.050 -0.028 0.000 0.849 120 N CB -0.198 38.279 38.487 -0.018 0.000 1.012 120 N HN 0.318 nan 8.380 nan 0.000 0.423 121 E N -0.453 119.728 120.200 -0.031 0.000 2.085 121 E HA -0.279 4.071 4.350 0.000 0.000 0.194 121 E C 1.947 178.482 176.600 -0.108 0.000 0.994 121 E CA 1.390 57.785 56.400 -0.007 0.000 0.801 121 E CB -0.206 29.549 29.700 0.093 0.000 0.743 121 E HN 0.395 nan 8.360 nan 0.000 0.453 122 M N 0.498 119.908 119.600 -0.317 0.000 2.106 122 M HA -0.199 4.282 4.480 0.000 0.000 0.259 122 M C 2.275 178.427 176.300 -0.246 0.000 1.068 122 M CA 2.121 57.075 55.300 -0.576 0.000 1.100 122 M CB -0.512 31.823 32.600 -0.441 0.000 1.351 122 M HN 0.085 nan 8.290 nan 0.000 0.404 123 S N -0.431 115.120 115.700 -0.248 0.000 2.368 123 S HA -0.130 4.340 4.470 0.000 0.000 0.224 123 S C 2.083 176.449 174.600 -0.389 0.000 1.029 123 S CA 1.176 59.050 58.200 -0.544 0.000 0.988 123 S CB -0.269 62.706 63.200 -0.374 0.000 0.838 123 S HN 0.457 nan 8.310 nan 0.000 0.462 124 K N 0.626 120.924 120.400 -0.170 0.000 2.063 124 K HA -0.066 4.254 4.320 0.000 0.000 0.208 124 K C 1.804 178.399 176.600 -0.008 0.000 1.048 124 K CA 1.298 57.534 56.287 -0.084 0.000 0.928 124 K CB -0.989 31.500 32.500 -0.020 0.000 0.713 124 K HN 0.535 nan 8.250 nan 0.000 0.442 125 F N 1.460 121.363 119.950 -0.078 0.000 2.126 125 F HA -0.246 4.281 4.527 0.000 0.000 0.299 125 F C 2.008 177.823 175.800 0.025 0.000 1.096 125 F CA 1.682 59.693 58.000 0.019 0.000 1.255 125 F CB -0.428 38.644 39.000 0.120 0.000 0.997 125 F HN 0.038 nan 8.300 nan 0.000 0.479 126 A N -0.202 122.571 122.820 -0.077 0.000 1.933 126 A HA -0.224 4.096 4.320 0.000 0.000 0.218 126 A C 2.275 179.882 177.584 0.040 0.000 1.175 126 A CA 1.696 53.715 52.037 -0.030 0.000 0.628 126 A CB -0.974 17.986 19.000 -0.066 0.000 0.814 126 A HN 0.609 nan 8.150 nan 0.000 0.444 127 E N -0.084 120.071 120.200 -0.074 0.000 2.106 127 E HA -0.118 4.233 4.350 0.000 0.000 0.192 127 E C 1.862 178.489 176.600 0.045 0.000 0.984 127 E CA 0.836 57.236 56.400 0.000 0.000 0.806 127 E CB -0.183 29.469 29.700 -0.081 0.000 0.750 127 E HN 0.626 nan 8.360 nan 0.000 0.458 128 L N 0.893 122.090 121.223 -0.043 0.000 2.141 128 L HA -0.122 4.218 4.340 0.000 0.000 0.209 128 L C 2.512 179.352 176.870 -0.051 0.000 1.094 128 L CA 0.794 55.622 54.840 -0.021 0.000 0.763 128 L CB -0.266 41.767 42.059 -0.042 0.000 0.908 128 L HN 0.139 nan 8.230 nan 0.000 0.437 129 E N -0.070 119.969 120.200 -0.268 0.000 2.107 129 E HA -0.124 4.226 4.350 0.000 0.000 0.191 129 E C 1.706 178.035 176.600 -0.451 0.000 0.982 129 E CA 1.318 57.426 56.400 -0.486 0.000 0.809 129 E CB 0.021 29.225 29.700 -0.827 0.000 0.756 129 E HN 0.468 nan 8.360 nan 0.000 0.459 130 F N -0.511 119.450 119.950 0.019 0.000 2.695 130 F HA 0.105 4.632 4.527 0.000 0.000 0.303 130 F C 0.922 176.811 175.800 0.149 0.000 1.091 130 F CA -0.462 57.589 58.000 0.084 0.000 1.300 130 F CB -0.202 38.827 39.000 0.047 0.000 1.071 130 F HN -0.062 nan 8.300 nan 0.000 0.578 131 H N 1.619 120.799 119.070 0.184 0.000 2.886 131 H HA 0.352 4.908 4.556 0.000 0.000 0.329 131 H C 0.856 176.152 175.328 -0.054 0.000 1.044 131 H CA 0.270 56.357 56.048 0.065 0.000 1.456 131 H CB 0.561 30.326 29.762 0.005 0.000 1.464 131 H HN 0.337 nan 8.280 nan 0.000 0.573 132 Q N 3.775 123.207 119.800 -0.612 0.000 2.413 132 Q HA -0.221 4.119 4.340 0.000 0.000 0.364 132 Q C -0.343 175.342 176.000 -0.526 0.000 1.359 132 Q CA 2.053 57.490 55.803 -0.610 0.000 1.097 132 Q CB -2.776 nan 28.738 nan 0.000 1.286 132 Q HN 0.975 nan 8.270 nan 0.000 0.358 133 H N -0.734 118.264 119.070 -0.120 0.000 3.650 133 H HA 0.279 4.835 4.556 0.000 0.000 0.260 133 H C 0.986 176.299 175.328 -0.026 0.000 1.194 133 H CA 0.325 56.329 56.048 -0.073 0.000 1.135 133 H CB 1.047 30.765 29.762 -0.074 0.000 1.612 133 H HN 0.708 nan 8.280 nan 0.000 0.703 134 L N 0.249 121.528 121.223 0.093 0.000 4.406 134 L HA -0.166 4.174 4.340 0.000 0.000 0.406 134 L C 0.917 177.857 176.870 0.117 0.000 1.133 134 L CA 1.045 55.931 54.840 0.076 0.000 0.974 134 L CB -2.332 39.760 42.059 0.054 0.000 2.152 134 L HN 0.623 nan 8.230 nan 0.000 0.736 135 G N 0.355 109.268 108.800 0.188 0.000 2.353 135 G HA2 -0.127 3.833 3.960 0.000 0.000 0.294 135 G HA3 -0.127 3.833 3.960 0.000 0.000 0.294 135 G C 0.441 175.468 174.900 0.211 0.000 1.077 135 G CA 0.489 45.763 45.100 0.290 0.000 1.098 135 G HN 1.355 nan 8.290 nan 0.000 0.511 136 V N -1.278 118.693 119.914 0.094 0.000 2.596 136 V HA 0.426 4.547 4.120 0.000 0.000 0.260 136 V C 1.108 177.196 176.094 -0.010 0.000 0.968 136 V CA 0.540 62.828 62.300 -0.020 0.000 1.172 136 V CB -0.445 31.264 31.823 -0.191 0.000 1.014 136 V HN 2.302 nan 8.190 nan 0.000 0.468 137 S N 3.199 118.931 115.700 0.054 0.000 3.580 137 S HA -0.152 4.318 4.470 0.000 0.000 0.472 137 S C 0.158 174.846 174.600 0.146 0.000 0.730 137 S CA 0.677 58.920 58.200 0.070 0.000 1.324 137 S CB -0.939 62.273 63.200 0.020 0.000 1.439 137 S HN 1.058 nan 8.310 nan 0.000 0.676 138 D N 3.095 123.621 120.400 0.210 0.000 2.360 138 D HA 0.578 5.218 4.640 0.000 0.000 0.242 138 D C 0.997 177.423 176.300 0.209 0.000 1.184 138 D CA 0.401 54.585 54.000 0.307 0.000 0.930 138 D CB 0.877 41.787 40.800 0.183 0.000 1.161 138 D HN 0.849 nan 8.370 nan 0.000 0.447 139 C N -1.795 117.647 119.300 0.238 0.000 3.321 139 C HA 0.724 5.184 4.460 0.000 0.000 0.363 139 C C 0.094 175.190 174.990 0.176 0.000 1.705 139 C CA -0.938 58.182 59.018 0.171 0.000 1.298 139 C CB 0.792 28.625 27.740 0.154 0.000 2.086 139 C HN 0.616 nan 8.230 nan 0.000 0.438 140 S N -0.022 115.773 115.700 0.158 0.000 2.610 140 S HA 0.447 4.917 4.470 0.000 0.000 0.273 140 S C 0.396 175.147 174.600 0.251 0.000 1.274 140 S CA -0.162 58.150 58.200 0.186 0.000 1.023 140 S CB 0.486 63.782 63.200 0.160 0.000 0.962 140 S HN 1.095 nan 8.310 nan 0.000 0.523 141 F N 2.438 122.470 119.950 0.138 0.000 2.120 141 F HA -0.105 4.423 4.527 0.000 0.000 0.300 141 F C 1.595 177.514 175.800 0.199 0.000 1.095 141 F CA 1.309 59.418 58.000 0.181 0.000 1.249 141 F CB -0.916 38.201 39.000 0.194 0.000 0.995 141 F HN 0.785 nan 8.300 nan 0.000 0.480 142 F N 1.283 121.160 119.950 -0.121 0.000 2.069 142 F HA -0.251 4.277 4.527 0.000 0.000 0.298 142 F C 2.442 178.008 175.800 -0.391 0.000 1.113 142 F CA 2.347 59.945 58.000 -0.670 0.000 1.214 142 F CB -0.975 37.346 39.000 -1.132 0.000 0.978 142 F HN 0.090 nan 8.300 nan 0.000 0.474 143 Q N -0.140 119.463 119.800 -0.329 0.000 2.061 143 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 143 Q C 2.208 178.095 176.000 -0.187 0.000 0.984 143 Q CA 1.841 57.464 55.803 -0.301 0.000 0.846 143 Q CB -0.589 28.139 28.738 -0.017 0.000 0.902 143 Q HN 0.483 nan 8.270 nan 0.000 0.421 144 L N 0.237 121.460 121.223 -0.000 0.000 2.043 144 L HA -0.187 4.154 4.340 0.000 0.000 0.212 144 L C 2.084 179.033 176.870 0.132 0.000 1.075 144 L CA 1.566 56.505 54.840 0.166 0.000 0.752 144 L CB -0.562 41.709 42.059 0.353 0.000 0.891 144 L HN 0.035 nan 8.230 nan 0.000 0.432 145 V N -0.723 119.135 119.914 -0.093 0.000 2.407 145 V HA -0.305 3.816 4.120 0.000 0.000 0.248 145 V C 2.590 178.655 176.094 -0.048 0.000 1.055 145 V CA 1.726 63.981 62.300 -0.074 0.000 1.049 145 V CB -0.621 31.089 31.823 -0.188 0.000 0.662 145 V HN 0.407 nan 8.190 nan 0.000 0.455 146 M N -0.203 119.240 119.600 -0.262 0.000 2.132 146 M HA -0.133 4.347 4.480 0.000 0.000 0.263 146 M C 2.130 178.377 176.300 -0.088 0.000 1.065 146 M CA 1.636 56.808 55.300 -0.214 0.000 1.122 146 M CB -1.176 31.181 32.600 -0.405 0.000 1.365 146 M HN 0.349 nan 8.290 nan 0.000 0.411 147 K N -0.624 119.763 120.400 -0.021 0.000 2.020 147 K HA -0.244 4.076 4.320 0.000 0.000 0.212 147 K C 2.080 178.665 176.600 -0.025 0.000 1.050 147 K CA 1.971 58.290 56.287 0.054 0.000 0.929 147 K CB -0.828 31.804 32.500 0.221 0.000 0.714 147 K HN 0.242 nan 8.250 nan 0.000 0.443 148 Y N 2.090 122.281 120.300 -0.182 0.000 2.081 148 Y HA -0.256 4.294 4.550 0.000 0.000 0.280 148 Y C 1.971 177.665 175.900 -0.342 0.000 1.163 148 Y CA 1.500 59.228 58.100 -0.621 0.000 1.135 148 Y CB -0.462 37.710 38.460 -0.481 0.000 0.970 148 Y HN -0.036 nan 8.280 nan 0.000 0.498 149 L N -0.799 120.319 121.223 -0.176 0.000 2.043 149 L HA -0.253 4.087 4.340 0.000 0.000 0.212 149 L C 2.435 179.139 176.870 -0.276 0.000 1.075 149 L CA 1.309 56.030 54.840 -0.198 0.000 0.752 149 L CB -0.747 41.319 42.059 0.010 0.000 0.891 149 L HN 0.358 nan 8.230 nan 0.000 0.432 150 L N -0.149 120.938 121.223 -0.226 0.000 1.988 150 L HA -0.245 4.095 4.340 0.000 0.000 0.207 150 L C 2.562 179.287 176.870 -0.241 0.000 1.071 150 L CA 1.796 56.514 54.840 -0.204 0.000 0.744 150 L CB -0.780 41.194 42.059 -0.143 0.000 0.893 150 L HN 0.253 nan 8.230 nan 0.000 0.433 151 Q N -1.091 118.557 119.800 -0.253 0.000 2.368 151 Q HA -0.175 4.165 4.340 0.000 0.000 0.210 151 Q C 1.073 176.903 176.000 -0.283 0.000 0.982 151 Q CA 1.091 56.757 55.803 -0.229 0.000 0.884 151 Q CB 0.157 28.787 28.738 -0.180 0.000 0.933 151 Q HN 0.385 nan 8.270 nan 0.000 0.460 152 R N -0.609 119.621 120.500 -0.449 0.000 2.509 152 R HA 0.094 4.434 4.340 0.000 0.000 0.297 152 R C 1.697 177.780 176.300 -0.362 0.000 0.951 152 R CA 0.337 56.216 56.100 -0.369 0.000 1.103 152 R CB 0.062 29.960 30.300 -0.671 0.000 1.283 152 R HN 0.364 nan 8.270 nan 0.000 0.534 153 R N 0.812 121.094 120.500 -0.362 0.000 2.154 153 R HA -0.211 4.129 4.340 0.000 0.000 0.248 153 R C 1.720 177.811 176.300 -0.348 0.000 1.155 153 R CA 1.745 57.670 56.100 -0.290 0.000 0.979 153 R CB -0.533 29.619 30.300 -0.246 0.000 0.869 153 R HN 0.178 nan 8.270 nan 0.000 0.452 154 Q N 0.587 120.034 119.800 -0.587 0.000 2.226 154 Q HA -0.108 4.232 4.340 0.000 0.000 0.204 154 Q C 0.393 175.951 176.000 -0.736 0.000 0.975 154 Q CA 1.313 56.656 55.803 -0.767 0.000 0.866 154 Q CB 0.092 28.135 28.738 -1.157 0.000 0.915 154 Q HN 0.600 nan 8.270 nan 0.000 0.440 155 F N -0.042 119.851 119.950 -0.095 0.000 2.708 155 F HA 0.357 4.884 4.527 0.000 0.000 0.300 155 F C -0.320 175.448 175.800 -0.054 0.000 1.118 155 F CA -0.474 57.486 58.000 -0.067 0.000 1.307 155 F CB 0.642 39.601 39.000 -0.068 0.000 0.986 155 F HN -0.134 nan 8.300 nan 0.000 0.522 156 L N 0.434 121.667 121.223 0.016 0.000 2.381 156 L HA 0.501 4.841 4.340 0.000 0.000 0.268 156 L C 0.407 177.285 176.870 0.013 0.000 0.997 156 L CA -0.976 53.882 54.840 0.031 0.000 0.818 156 L CB 2.403 44.466 42.059 0.006 0.000 1.310 156 L HN 0.077 nan 8.230 nan 0.000 0.416 157 T N -2.632 111.946 114.554 0.041 0.000 2.788 157 T HA 0.177 4.527 4.350 0.000 0.000 0.280 157 T C 0.924 175.652 174.700 0.047 0.000 0.984 157 T CA -0.646 61.476 62.100 0.036 0.000 0.972 157 T CB 0.790 69.686 68.868 0.048 0.000 1.039 157 T HN 0.508 nan 8.240 nan 0.000 0.530 158 N N 0.942 119.669 118.700 0.045 0.000 2.120 158 N HA -0.115 4.625 4.740 0.000 0.000 0.188 158 N C 1.301 176.880 175.510 0.115 0.000 1.024 158 N CA 1.343 54.427 53.050 0.058 0.000 0.852 158 N CB -0.422 38.092 38.487 0.044 0.000 1.003 158 N HN 0.634 nan 8.380 nan 0.000 0.424 159 D N 1.028 121.517 120.400 0.148 0.000 2.219 159 D HA -0.075 4.565 4.640 0.000 0.000 0.205 159 D C 1.846 178.331 176.300 0.308 0.000 0.970 159 D CA 0.655 54.819 54.000 0.272 0.000 0.851 159 D CB -0.081 40.859 40.800 0.233 0.000 0.943 159 D HN 0.391 nan 8.370 nan 0.000 0.488 160 Q N -0.100 119.813 119.800 0.188 0.000 2.172 160 Q HA 0.026 4.367 4.340 0.000 0.000 0.200 160 Q C 2.292 178.409 176.000 0.195 0.000 0.964 160 Q CA 0.524 56.433 55.803 0.177 0.000 0.855 160 Q CB 0.203 29.017 28.738 0.126 0.000 0.918 160 Q HN 0.328 nan 8.270 nan 0.000 0.444 161 I N 0.116 120.790 120.570 0.172 0.000 2.493 161 I HA -0.238 3.932 4.170 0.000 0.000 0.254 161 I C 2.517 178.803 176.117 0.282 0.000 1.160 161 I CA 0.864 62.285 61.300 0.202 0.000 1.445 161 I CB -0.180 37.892 38.000 0.120 0.000 1.086 161 I HN 0.159 nan 8.210 nan 0.000 0.433 162 R N 0.563 121.178 120.500 0.193 0.000 2.052 162 R HA -0.127 4.213 4.340 0.000 0.000 0.226 162 R C 2.274 178.500 176.300 -0.123 0.000 1.145 162 R CA 1.517 57.633 56.100 0.026 0.000 0.952 162 R CB -0.202 29.988 30.300 -0.183 0.000 0.847 162 R HN 0.205 nan 8.270 nan 0.000 0.431 163 Y N 0.278 120.620 120.300 0.070 0.000 2.420 163 Y HA -0.045 4.505 4.550 0.001 0.000 0.292 163 Y C 1.913 177.827 175.900 0.023 0.000 1.119 163 Y CA 0.177 58.299 58.100 0.036 0.000 1.229 163 Y CB -0.233 38.246 38.460 0.031 0.000 1.026 163 Y HN 0.116 nan 8.280 nan 0.000 0.554 164 L N 2.318 123.658 121.223 0.195 0.000 2.012 164 L HA -0.114 4.226 4.340 0.000 0.000 0.210 164 L C -0.555 176.372 176.870 0.094 0.000 1.073 164 L CA 1.997 56.914 54.840 0.129 0.000 0.748 164 L CB -1.720 40.433 42.059 0.155 0.000 0.891 164 L HN -0.003 nan 8.230 nan 0.000 0.431 165 P HA -0.204 nan 4.420 nan 0.000 0.216 165 P C 1.194 178.432 177.300 -0.103 0.000 1.150 165 P CA 1.444 64.590 63.100 0.076 0.000 0.837 165 P CB -0.129 31.661 31.700 0.151 0.000 0.786 166 Q N -0.219 119.530 119.800 -0.086 0.000 2.079 166 Q HA -0.066 4.274 4.340 0.000 0.000 0.200 166 Q C 2.465 178.462 176.000 -0.004 0.000 0.974 166 Q CA 0.873 56.608 55.803 -0.113 0.000 0.840 166 Q CB -1.334 27.395 28.738 -0.015 0.000 0.898 166 Q HN 0.322 nan 8.270 nan 0.000 0.430 167 L N 0.841 122.098 121.223 0.057 0.000 2.017 167 L HA -0.169 4.172 4.340 0.000 0.000 0.208 167 L C 2.544 179.542 176.870 0.212 0.000 1.073 167 L CA 1.918 56.804 54.840 0.076 0.000 0.745 167 L CB -0.391 41.566 42.059 -0.170 0.000 0.894 167 L HN 0.414 nan 8.230 nan 0.000 0.432 168 C N -0.627 118.755 119.300 0.136 0.000 2.430 168 C HA -0.040 4.421 4.460 0.000 0.000 0.288 168 C C 2.460 177.462 174.990 0.020 0.000 1.448 168 C CA 0.170 59.280 59.018 0.153 0.000 1.784 168 C CB -1.712 26.135 27.740 0.178 0.000 1.776 168 C HN 0.490 nan 8.230 nan 0.000 0.547 169 R N 0.206 120.711 120.500 0.008 0.000 2.339 169 R HA -0.004 4.336 4.340 0.000 0.000 0.199 169 R C 1.805 178.100 176.300 -0.008 0.000 1.018 169 R CA 1.176 57.255 56.100 -0.034 0.000 1.036 169 R CB -0.496 29.602 30.300 -0.336 0.000 0.899 169 R HN 0.931 nan 8.270 nan 0.000 0.473 170 Y N -0.977 119.400 120.300 0.128 0.000 2.365 170 Y HA -0.151 4.400 4.550 0.001 0.000 0.287 170 Y C 1.525 177.484 175.900 0.099 0.000 1.162 170 Y CA 0.734 58.906 58.100 0.121 0.000 1.260 170 Y CB -0.649 37.891 38.460 0.132 0.000 0.976 170 Y HN -0.027 nan 8.280 nan 0.000 0.548 171 L N 0.534 121.404 121.223 -0.588 0.000 2.353 171 L HA -0.154 4.186 4.340 0.000 0.000 0.220 171 L C 2.270 179.150 176.870 0.017 0.000 1.133 171 L CA 1.252 55.875 54.840 -0.361 0.000 0.798 171 L CB -0.457 41.165 42.059 -0.728 0.000 0.922 171 L HN 0.386 nan 8.230 nan 0.000 0.445 172 E N -0.224 120.007 120.200 0.051 0.000 2.150 172 E HA -0.178 4.173 4.350 0.000 0.000 0.193 172 E C 1.815 178.510 176.600 0.158 0.000 0.985 172 E CA 0.702 57.186 56.400 0.140 0.000 0.814 172 E CB 0.122 29.892 29.700 0.115 0.000 0.752 172 E HN 0.316 nan 8.360 nan 0.000 0.466 173 L N -0.143 121.160 121.223 0.134 0.000 2.552 173 L HA -0.096 4.245 4.340 0.000 0.000 0.227 173 L C 1.653 178.538 176.870 0.025 0.000 1.146 173 L CA 0.946 55.846 54.840 0.099 0.000 0.858 173 L CB -0.926 41.185 42.059 0.087 0.000 0.969 173 L HN 0.395 nan 8.230 nan 0.000 0.451 174 W N -0.492 120.773 121.300 -0.058 0.000 2.812 174 W HA 0.018 4.679 4.660 0.000 0.000 0.263 174 W C 2.142 178.490 176.519 -0.285 0.000 1.284 174 W CA 0.555 57.767 57.345 -0.222 0.000 1.430 174 W CB 0.218 29.474 29.460 -0.339 0.000 1.088 174 W HN 0.333 nan 8.180 nan 0.000 0.623 175 H N -1.165 118.056 119.070 0.252 0.000 2.681 175 H HA 0.165 4.721 4.556 0.000 0.000 0.268 175 H C 1.739 177.104 175.328 0.063 0.000 0.967 175 H CA 1.135 57.296 56.048 0.188 0.000 1.233 175 H CB 0.289 30.108 29.762 0.096 0.000 1.445 175 H HN 0.050 nan 8.280 nan 0.000 0.494 176 G N 1.319 110.217 108.800 0.162 0.000 2.182 176 G HA2 -0.220 3.740 3.960 0.000 0.000 0.248 176 G HA3 -0.220 3.740 3.960 0.000 0.000 0.248 176 G C -0.554 174.391 174.900 0.076 0.000 1.042 176 G CA 0.163 45.297 45.100 0.057 0.000 0.775 176 G HN 0.164 nan 8.290 nan 0.000 0.501 177 L N 0.555 121.866 121.223 0.147 0.000 2.464 177 L HA 0.514 4.854 4.340 0.000 0.000 0.266 177 L C 0.059 177.037 176.870 0.180 0.000 0.965 177 L CA -1.274 53.661 54.840 0.158 0.000 0.833 177 L CB 1.804 43.977 42.059 0.189 0.000 1.296 177 L HN 0.300 nan 8.230 nan 0.000 0.405 178 D N 2.307 122.812 120.400 0.176 0.000 2.400 178 D HA -0.102 4.538 4.640 0.000 0.000 0.238 178 D C 0.616 177.146 176.300 0.383 0.000 1.157 178 D CA -0.147 53.999 54.000 0.243 0.000 0.889 178 D CB 0.929 41.856 40.800 0.211 0.000 1.199 178 D HN 0.662 nan 8.370 nan 0.000 0.436 179 W N 3.918 125.327 121.300 0.182 0.000 2.632 179 W HA 0.002 4.662 4.660 0.001 0.000 0.248 179 W C 0.844 177.507 176.519 0.240 0.000 1.259 179 W CA 0.061 57.581 57.345 0.292 0.000 1.288 179 W CB -0.870 28.819 29.460 0.381 0.000 1.136 179 W HN 0.385 nan 8.180 nan 0.000 0.640 180 K N 0.289 120.836 120.400 0.245 0.000 2.361 180 K HA 0.186 4.506 4.320 0.000 0.000 0.194 180 K C 1.787 178.406 176.600 0.031 0.000 1.032 180 K CA 0.254 56.536 56.287 -0.007 0.000 1.048 180 K CB 0.177 32.550 32.500 -0.213 0.000 0.842 180 K HN 0.187 nan 8.250 nan 0.000 0.526 181 L N 0.494 121.762 121.223 0.076 0.000 2.556 181 L HA 0.177 4.517 4.340 0.000 0.000 0.226 181 L C 0.294 177.228 176.870 0.105 0.000 1.089 181 L CA -0.282 54.547 54.840 -0.018 0.000 0.864 181 L CB 0.232 42.247 42.059 -0.073 0.000 1.067 181 L HN 0.082 nan 8.230 nan 0.000 0.477 182 L N 0.412 121.737 121.223 0.170 0.000 2.305 182 L HA 0.245 4.585 4.340 0.000 0.000 0.281 182 L C 0.644 177.576 176.870 0.103 0.000 1.085 182 L CA 0.172 55.090 54.840 0.131 0.000 0.813 182 L CB 1.377 43.472 42.059 0.060 0.000 1.157 182 L HN -0.115 nan 8.230 nan 0.000 0.436 183 S N 3.824 119.547 115.700 0.038 0.000 2.525 183 S HA 0.305 4.775 4.470 0.000 0.000 0.285 183 S C 1.377 175.945 174.600 -0.054 0.000 1.283 183 S CA 0.037 58.244 58.200 0.011 0.000 1.072 183 S CB 0.644 63.829 63.200 -0.025 0.000 0.867 183 S HN 0.937 nan 8.310 nan 0.000 0.492 184 A N 5.725 128.558 122.820 0.021 0.000 1.902 184 A HA 0.023 4.343 4.320 0.000 0.000 0.217 184 A C 2.340 179.715 177.584 -0.348 0.000 1.181 184 A CA 1.954 54.008 52.037 0.028 0.000 0.623 184 A CB -1.499 17.654 19.000 0.254 0.000 0.818 184 A HN 1.119 nan 8.150 nan 0.000 0.443 185 K N -0.487 119.551 120.400 -0.604 0.000 2.281 185 K HA -0.174 4.146 4.320 0.000 0.000 0.203 185 K C 1.470 177.843 176.600 -0.378 0.000 1.046 185 K CA 2.085 57.870 56.287 -0.837 0.000 0.938 185 K CB -0.780 31.399 32.500 -0.535 0.000 0.737 185 K HN 0.633 nan 8.250 nan 0.000 0.458 186 D N -1.980 118.274 120.400 -0.244 0.000 2.398 186 D HA 0.061 4.701 4.640 0.000 0.000 0.210 186 D C 1.604 177.815 176.300 -0.148 0.000 1.094 186 D CA 0.608 54.524 54.000 -0.140 0.000 0.839 186 D CB 0.405 41.144 40.800 -0.101 0.000 0.963 186 D HN 0.316 nan 8.370 nan 0.000 0.506 187 T N -0.332 114.051 114.554 -0.285 0.000 2.720 187 T HA -0.162 4.188 4.350 0.000 0.000 0.268 187 T C 0.144 174.616 174.700 -0.380 0.000 1.037 187 T CA 1.181 62.997 62.100 -0.473 0.000 1.144 187 T CB -0.258 68.154 68.868 -0.761 0.000 0.864 187 T HN 0.166 nan 8.240 nan 0.000 0.444 188 Y N 1.605 121.810 120.300 -0.158 0.000 2.326 188 Y HA 0.461 5.011 4.550 0.000 0.000 0.337 188 Y C 0.080 175.885 175.900 -0.158 0.000 1.023 188 Y CA -1.972 55.993 58.100 -0.225 0.000 1.143 188 Y CB 0.345 38.676 38.460 -0.215 0.000 1.183 188 Y HN 0.155 nan 8.280 nan 0.000 0.485 189 F N -0.720 119.164 119.950 -0.110 0.000 2.585 189 F HA 0.821 5.348 4.527 0.000 0.000 0.350 189 F C 1.017 176.756 175.800 -0.103 0.000 1.074 189 F CA -1.180 56.735 58.000 -0.142 0.000 1.032 189 F CB 0.305 39.129 39.000 -0.293 0.000 1.330 189 F HN 0.470 nan 8.300 nan 0.000 0.495 190 G N -1.165 107.774 108.800 0.231 0.000 2.424 190 G HA2 -0.087 3.874 3.960 0.000 0.000 0.214 190 G HA3 -0.087 3.874 3.960 0.000 0.000 0.214 190 G C -0.222 174.823 174.900 0.241 0.000 1.202 190 G CA 0.889 46.078 45.100 0.149 0.000 0.793 190 G HN 1.214 nan 8.290 nan 0.000 0.534 191 H N -0.203 119.044 119.070 0.295 0.000 2.969 191 H HA -0.147 4.409 4.556 0.000 0.000 0.347 191 H C 0.245 175.642 175.328 0.114 0.000 1.235 191 H CA 0.401 56.590 56.048 0.235 0.000 1.179 191 H CB -1.889 27.965 29.762 0.154 0.000 1.578 191 H HN 0.460 nan 8.280 nan 0.000 0.431 192 Q N 2.019 121.837 119.800 0.030 0.000 3.151 192 Q HA 0.311 4.651 4.340 0.000 0.000 0.277 192 Q C 1.131 177.089 176.000 -0.070 0.000 1.343 192 Q CA 0.498 56.301 55.803 0.001 0.000 0.925 192 Q CB 0.102 28.854 28.738 0.024 0.000 1.771 192 Q HN 0.810 nan 8.270 nan 0.000 0.514 193 G N 0.375 109.107 108.800 -0.113 0.000 2.462 193 G HA2 -0.171 3.789 3.960 0.000 0.000 0.685 193 G HA3 -0.171 3.789 3.960 0.000 0.000 0.685 193 G C -0.848 173.929 174.900 -0.205 0.000 1.295 193 G CA -1.186 43.857 45.100 -0.094 0.000 0.941 193 G HN 0.420 nan 8.290 nan 0.000 0.554 194 R N -0.027 120.470 120.500 -0.006 0.000 2.822 194 R HA 0.301 4.642 4.340 0.000 0.000 0.277 194 R C 0.448 176.761 176.300 0.021 0.000 1.102 194 R CA -0.189 55.976 56.100 0.108 0.000 1.207 194 R CB 0.189 30.686 30.300 0.328 0.000 1.139 194 R HN 0.584 nan 8.270 nan 0.000 0.557 195 N N -0.522 118.221 118.700 0.072 0.000 2.430 195 N HA 0.409 5.149 4.740 0.000 0.000 0.298 195 N C -1.275 174.123 175.510 -0.185 0.000 1.130 195 N CA -0.428 52.596 53.050 -0.044 0.000 0.894 195 N CB 2.114 40.588 38.487 -0.022 0.000 1.209 195 N HN 0.532 nan 8.380 nan 0.000 0.503 196 A N 1.445 124.075 122.820 -0.318 0.000 2.319 196 A HA 0.407 4.727 4.320 0.000 0.000 0.310 196 A C -0.997 176.663 177.584 0.126 0.000 1.152 196 A CA -0.657 51.108 52.037 -0.453 0.000 0.783 196 A CB 0.334 18.686 19.000 -1.081 0.000 1.184 196 A HN 0.609 nan 8.150 nan 0.000 0.474 197 F N 3.479 123.491 119.950 0.104 0.000 2.502 197 F HA 0.464 4.991 4.527 0.001 0.000 0.371 197 F C 0.855 176.595 175.800 -0.100 0.000 1.083 197 F CA -0.123 57.820 58.000 -0.096 0.000 1.174 197 F CB 0.569 39.532 39.000 -0.060 0.000 1.096 197 F HN 0.745 nan 8.300 nan 0.000 0.545 198 A N 7.296 129.762 122.820 -0.590 0.000 2.488 198 A HA 0.275 4.596 4.320 0.000 0.000 0.249 198 A C -0.080 177.258 177.584 -0.409 0.000 1.083 198 A CA -0.386 51.353 52.037 -0.497 0.000 0.768 198 A CB -0.082 18.269 19.000 -1.081 0.000 1.017 198 A HN 0.907 nan 8.150 nan 0.000 0.496 199 L N 2.467 123.619 121.223 -0.119 0.000 2.865 199 L HA 0.388 4.729 4.340 0.000 0.000 0.233 199 L C 0.934 177.747 176.870 -0.094 0.000 1.320 199 L CA 0.785 55.593 54.840 -0.054 0.000 1.225 199 L CB -0.988 41.084 42.059 0.021 0.000 1.542 199 L HN 1.070 nan 8.230 nan 0.000 0.432 200 N N -0.909 117.696 118.700 -0.158 0.000 4.976 200 N HA -0.161 4.579 4.740 0.000 0.000 0.294 200 N C -0.049 175.407 175.510 -0.090 0.000 0.780 200 N CA -0.163 52.828 53.050 -0.097 0.000 0.693 200 N CB -2.019 nan 38.487 nan 0.000 1.699 200 N HN 0.293 nan 8.380 nan 0.000 0.666 201 Y N 0.362 120.571 120.300 -0.151 0.000 2.421 201 Y HA -0.151 4.399 4.550 0.000 0.000 0.292 201 Y C 2.415 178.280 175.900 -0.058 0.000 1.136 201 Y CA 2.015 60.037 58.100 -0.130 0.000 1.255 201 Y CB 0.434 38.783 38.460 -0.185 0.000 0.991 201 Y HN 0.877 nan 8.280 nan 0.000 0.552 202 D N -1.430 119.033 120.400 0.105 0.000 2.221 202 D HA -0.165 4.475 4.640 0.000 0.000 0.204 202 D C 1.862 178.193 176.300 0.052 0.000 0.982 202 D CA 1.414 55.457 54.000 0.071 0.000 0.857 202 D CB -0.639 40.184 40.800 0.039 0.000 0.934 202 D HN 0.146 nan 8.370 nan 0.000 0.475 203 S N -0.442 115.276 115.700 0.030 0.000 2.383 203 S HA -0.047 4.423 4.470 0.000 0.000 0.227 203 S C 2.179 176.802 174.600 0.038 0.000 1.026 203 S CA 0.709 58.918 58.200 0.014 0.000 0.981 203 S CB -0.072 63.120 63.200 -0.012 0.000 0.818 203 S HN 0.219 nan 8.310 nan 0.000 0.472 204 V N 1.155 121.111 119.914 0.069 0.000 2.323 204 V HA -0.088 4.032 4.120 0.000 0.000 0.244 204 V C 2.286 178.461 176.094 0.134 0.000 1.041 204 V CA 1.231 63.594 62.300 0.105 0.000 1.025 204 V CB -0.710 31.210 31.823 0.162 0.000 0.656 204 V HN 0.315 nan 8.190 nan 0.000 0.451 205 V N 0.021 120.021 119.914 0.142 0.000 2.295 205 V HA -0.316 3.804 4.120 0.000 0.000 0.246 205 V C 3.080 179.227 176.094 0.089 0.000 1.049 205 V CA 2.637 65.014 62.300 0.129 0.000 1.024 205 V CB -1.259 30.630 31.823 0.109 0.000 0.648 205 V HN 0.685 nan 8.190 nan 0.000 0.447 206 Q N 0.242 120.074 119.800 0.054 0.000 2.061 206 Q HA -0.314 4.027 4.340 0.000 0.000 0.204 206 Q C 2.313 178.312 176.000 -0.002 0.000 0.984 206 Q CA 2.558 58.369 55.803 0.013 0.000 0.846 206 Q CB -0.846 27.893 28.738 0.002 0.000 0.902 206 Q HN 0.703 nan 8.270 nan 0.000 0.421 207 R N -0.168 120.346 120.500 0.023 0.000 2.094 207 R HA -0.100 4.240 4.340 0.000 0.000 0.239 207 R C 2.354 178.676 176.300 0.037 0.000 1.137 207 R CA 2.048 58.161 56.100 0.023 0.000 0.943 207 R CB -0.514 29.812 30.300 0.045 0.000 0.850 207 R HN 0.601 nan 8.270 nan 0.000 0.433 208 I N 0.528 121.160 120.570 0.104 0.000 2.315 208 I HA -0.166 4.004 4.170 0.000 0.000 0.248 208 I C 2.532 178.706 176.117 0.096 0.000 1.117 208 I CA 1.053 62.459 61.300 0.176 0.000 1.404 208 I CB -0.401 37.772 38.000 0.288 0.000 1.071 208 I HN 0.329 nan 8.210 nan 0.000 0.419 209 A N 0.171 122.989 122.820 -0.003 0.000 2.019 209 A HA -0.192 4.128 4.320 0.000 0.000 0.219 209 A C 2.072 179.274 177.584 -0.637 0.000 1.164 209 A CA 1.272 53.162 52.037 -0.244 0.000 0.644 209 A CB -0.434 18.511 19.000 -0.092 0.000 0.805 209 A HN 0.498 nan 8.150 nan 0.000 0.449 210 Q N -0.077 119.512 119.800 -0.351 0.000 2.280 210 Q HA 0.058 4.398 4.340 0.000 0.000 0.202 210 Q C 1.149 176.962 176.000 -0.311 0.000 0.903 210 Q CA 0.524 56.122 55.803 -0.341 0.000 0.948 210 Q CB 0.094 28.724 28.738 -0.179 0.000 1.058 210 Q HN 0.733 nan 8.270 nan 0.000 0.493 211 S N -0.427 115.087 115.700 -0.309 0.000 2.572 211 S HA 0.218 4.688 4.470 0.000 0.000 0.228 211 S C 0.022 174.582 174.600 -0.067 0.000 0.963 211 S CA -0.689 57.461 58.200 -0.084 0.000 0.939 211 S CB -0.125 63.136 63.200 0.102 0.000 0.804 211 S HN 0.316 nan 8.310 nan 0.000 0.480 212 F N -2.155 117.584 119.950 -0.351 0.000 2.745 212 F HA 0.785 5.313 4.527 0.000 0.000 0.316 212 F C -3.421 171.846 175.800 -0.888 0.000 1.155 212 F CA -2.856 54.630 58.000 -0.857 0.000 0.937 212 F CB -0.332 38.260 39.000 -0.681 0.000 1.361 212 F HN -0.312 nan 8.300 nan 0.000 0.472 213 P HA 0.173 nan 4.420 nan 0.000 0.255 213 P C 0.589 177.663 177.300 -0.377 0.000 1.173 213 P CA 1.078 63.703 63.100 -0.792 0.000 0.780 213 P CB 0.626 31.590 31.700 -1.227 0.000 0.758 214 Q N 3.483 123.114 119.800 -0.282 0.000 2.443 214 Q HA -0.226 4.114 4.340 0.000 0.000 0.213 214 Q C 1.364 177.366 176.000 0.004 0.000 0.982 214 Q CA 2.102 57.813 55.803 -0.154 0.000 0.894 214 Q CB -1.388 27.260 28.738 -0.149 0.000 0.947 214 Q HN 0.747 nan 8.270 nan 0.000 0.480 215 N N -2.509 116.214 118.700 0.039 0.000 2.336 215 N HA 0.008 4.748 4.740 0.000 0.000 0.189 215 N C 0.998 176.689 175.510 0.303 0.000 1.113 215 N CA 0.335 53.469 53.050 0.139 0.000 0.858 215 N CB 0.013 38.570 38.487 0.118 0.000 0.970 215 N HN 0.494 nan 8.380 nan 0.000 0.471 216 W N 0.573 121.928 121.300 0.092 0.000 2.418 216 W HA 0.292 4.952 4.660 0.000 0.000 0.292 216 W C 0.495 177.045 176.519 0.051 0.000 1.213 216 W CA -0.369 57.020 57.345 0.074 0.000 1.283 216 W CB -0.766 28.764 29.460 0.118 0.000 1.119 216 W HN 0.109 nan 8.180 nan 0.000 0.542 217 L N 1.808 123.240 121.223 0.348 0.000 2.453 217 L HA 0.382 4.722 4.340 0.000 0.000 0.272 217 L C 0.299 177.233 176.870 0.107 0.000 1.182 217 L CA 0.426 55.391 54.840 0.207 0.000 0.858 217 L CB 0.283 42.469 42.059 0.211 0.000 1.120 217 L HN -0.042 nan 8.230 nan 0.000 0.474 218 K N 6.405 126.834 120.400 0.050 0.000 2.616 218 K HA 0.559 4.880 4.320 0.000 0.000 0.241 218 K C -1.013 175.594 176.600 0.012 0.000 0.961 218 K CA -0.393 55.909 56.287 0.026 0.000 0.942 218 K CB 0.222 32.718 32.500 -0.007 0.000 1.153 218 K HN 0.658 nan 8.250 nan 0.000 0.452 219 L N 1.212 122.448 121.223 0.021 0.000 2.456 219 L HA 0.370 4.710 4.340 0.000 0.000 0.257 219 L C 1.349 178.217 176.870 -0.004 0.000 1.162 219 L CA 0.184 55.027 54.840 0.004 0.000 0.808 219 L CB 1.578 43.646 42.059 0.015 0.000 1.136 219 L HN 1.199 nan 8.230 nan 0.000 0.466 220 S N -1.185 114.499 115.700 -0.027 0.000 3.473 220 S HA -0.231 4.239 4.470 0.000 0.000 0.339 220 S C -0.165 174.424 174.600 -0.018 0.000 1.148 220 S CA 0.425 58.611 58.200 -0.023 0.000 0.969 220 S CB -2.436 60.769 63.200 0.009 0.000 0.936 220 S HN 0.622 nan 8.310 nan 0.000 0.530 221 c N 2.052 120.630 118.600 -0.037 0.000 2.206 221 c HA 0.525 5.095 4.570 0.000 0.000 0.324 221 c C 0.476 174.538 174.090 -0.046 0.000 1.120 221 c CA -0.497 55.823 56.329 -0.015 0.000 1.546 221 c CB -0.211 42.294 42.510 -0.008 0.000 2.023 221 c HN 0.684 nan 8.230 nan 0.000 0.448 222 E N 3.752 123.940 120.200 -0.020 0.000 2.152 222 E HA 0.304 4.654 4.350 0.000 0.000 0.285 222 E C -0.665 175.940 176.600 0.009 0.000 1.043 222 E CA -0.173 56.221 56.400 -0.009 0.000 0.839 222 E CB 0.889 30.636 29.700 0.079 0.000 1.069 222 E HN 0.530 nan 8.360 nan 0.000 0.399 223 V N 6.103 126.011 119.914 -0.009 0.000 2.530 223 V HA 0.049 4.170 4.120 0.000 0.000 0.282 223 V C 0.989 177.067 176.094 -0.026 0.000 1.048 223 V CA 0.251 62.542 62.300 -0.016 0.000 0.997 223 V CB 1.182 32.983 31.823 -0.036 0.000 0.987 223 V HN 0.758 nan 8.190 nan 0.000 0.477 224 K N 2.010 122.389 120.400 -0.034 0.000 2.402 224 K HA 0.303 4.623 4.320 0.000 0.000 0.203 224 K C 0.161 176.700 176.600 -0.101 0.000 1.077 224 K CA 0.027 56.281 56.287 -0.054 0.000 1.051 224 K CB 0.880 33.367 32.500 -0.022 0.000 0.907 224 K HN 0.604 nan 8.250 nan 0.000 0.554 225 S N 0.728 116.364 115.700 -0.107 0.000 2.562 225 S HA 0.517 4.987 4.470 0.000 0.000 0.274 225 S C -0.877 173.657 174.600 -0.110 0.000 1.160 225 S CA -0.909 57.214 58.200 -0.129 0.000 0.933 225 S CB 0.957 64.117 63.200 -0.066 0.000 1.100 225 S HN 0.201 nan 8.310 nan 0.000 0.468 226 I N 2.614 123.098 120.570 -0.143 0.000 2.382 226 I HA 0.377 4.547 4.170 0.000 0.000 0.285 226 I C -0.523 175.642 176.117 0.080 0.000 1.007 226 I CA -0.339 60.951 61.300 -0.015 0.000 1.142 226 I CB 2.005 40.035 38.000 0.051 0.000 1.289 226 I HN 0.648 nan 8.210 nan 0.000 0.453 227 T N 5.107 119.692 114.554 0.051 0.000 2.770 227 T HA 0.520 4.871 4.350 0.000 0.000 0.283 227 T C 0.277 175.000 174.700 0.038 0.000 0.988 227 T CA -0.554 61.577 62.100 0.052 0.000 0.957 227 T CB 1.116 69.999 68.868 0.024 0.000 0.930 227 T HN 0.671 nan 8.240 nan 0.000 0.443 228 R N 1.566 122.092 120.500 0.042 0.000 2.332 228 R HA 0.711 5.051 4.340 0.000 0.000 0.306 228 R C 0.071 176.371 176.300 0.000 0.000 1.117 228 R CA -0.618 55.488 56.100 0.009 0.000 1.108 228 R CB -0.768 nan 30.300 nan 0.000 1.126 228 R HN 0.930 nan 8.270 nan 0.000 0.548 229 E N 3.568 123.762 120.200 -0.009 0.000 2.384 229 E HA 0.263 4.613 4.350 0.000 0.000 0.266 229 E C -1.259 175.330 176.600 -0.019 0.000 1.012 229 E CA -1.264 55.130 56.400 -0.011 0.000 0.901 229 E CB 0.277 nan 29.700 nan 0.000 0.967 229 E HN 0.592 nan 8.360 nan 0.000 0.435 230 P HA -0.144 nan 4.420 nan 0.000 0.231 230 P C 1.085 178.371 177.300 -0.023 0.000 1.154 230 P CA 1.558 64.648 63.100 -0.016 0.000 0.762 230 P CB -0.127 31.568 31.700 -0.009 0.000 0.790 231 S N 1.028 116.712 115.700 -0.027 0.000 2.211 231 S HA 0.329 4.799 4.470 0.000 0.000 0.158 231 S C 1.817 176.390 174.600 -0.045 0.000 1.361 231 S CA 1.755 59.937 58.200 -0.030 0.000 2.285 231 S CB -0.492 62.691 63.200 -0.029 0.000 0.432 231 S HN 0.165 nan 8.310 nan 0.000 0.351 232 K N -0.531 119.835 120.400 -0.057 0.000 2.614 232 K HA 0.606 4.926 4.320 0.000 0.000 0.190 232 K C -0.224 176.307 176.600 -0.116 0.000 1.255 232 K CA 0.876 57.113 56.287 -0.084 0.000 1.099 232 K CB -1.057 nan 32.500 nan 0.000 1.023 232 K HN 1.298 nan 8.250 nan 0.000 0.576 233 N N -0.480 118.163 118.700 -0.095 0.000 2.357 233 N HA 0.738 5.478 4.740 0.000 0.000 0.284 233 N C -0.815 174.646 175.510 -0.082 0.000 1.236 233 N CA -0.141 52.848 53.050 -0.100 0.000 0.774 233 N CB 2.153 40.601 38.487 -0.065 0.000 1.534 233 N HN 0.233 nan 8.380 nan 0.000 0.478 234 V N 0.506 120.372 119.914 -0.080 0.000 2.581 234 V HA 0.734 4.854 4.120 0.000 0.000 0.303 234 V C 0.165 176.247 176.094 -0.020 0.000 1.041 234 V CA -0.504 61.767 62.300 -0.048 0.000 0.907 234 V CB 1.793 33.583 31.823 -0.056 0.000 0.994 234 V HN 0.876 nan 8.190 nan 0.000 0.442 235 T N 3.560 118.112 114.554 -0.003 0.000 2.779 235 T HA 0.649 4.999 4.350 0.000 0.000 0.280 235 T C -0.551 174.160 174.700 0.019 0.000 0.987 235 T CA -0.320 61.785 62.100 0.010 0.000 0.966 235 T CB 1.427 70.297 68.868 0.004 0.000 0.933 235 T HN 0.384 nan 8.240 nan 0.000 0.442 236 V N 4.060 123.998 119.914 0.040 0.000 2.735 236 V HA 0.581 4.701 4.120 0.000 0.000 0.310 236 V C -0.939 175.203 176.094 0.081 0.000 1.061 236 V CA -1.178 61.148 62.300 0.043 0.000 0.913 236 V CB 2.069 33.912 31.823 0.034 0.000 1.005 236 V HN 0.939 nan 8.190 nan 0.000 0.428 237 N N 1.974 120.704 118.700 0.050 0.000 2.461 237 N HA 0.497 5.238 4.740 0.000 0.000 0.284 237 N C -0.700 174.843 175.510 0.054 0.000 1.049 237 N CA -0.434 52.650 53.050 0.056 0.000 0.889 237 N CB 1.339 39.834 38.487 0.013 0.000 1.365 237 N HN 0.590 nan 8.380 nan 0.000 0.499 238 c N 0.899 119.558 118.600 0.099 0.000 2.705 238 c HA 0.040 4.610 4.570 0.000 0.000 0.382 238 c C 2.360 176.476 174.090 0.042 0.000 1.322 238 c CA -0.030 56.342 56.329 0.072 0.000 2.290 238 c CB 0.401 42.976 42.510 0.108 0.000 2.650 238 c HN 0.927 nan 8.230 nan 0.000 0.695 239 E N 1.834 122.054 120.200 0.035 0.000 2.118 239 E HA -0.223 4.128 4.350 0.000 0.000 0.195 239 E C 1.662 178.277 176.600 0.025 0.000 0.992 239 E CA 2.315 58.732 56.400 0.028 0.000 0.804 239 E CB -0.339 29.384 29.700 0.039 0.000 0.741 239 E HN 0.792 nan 8.360 nan 0.000 0.458 240 D N -1.039 119.379 120.400 0.031 0.000 2.309 240 D HA -0.092 4.549 4.640 0.000 0.000 0.212 240 D C 1.489 177.796 176.300 0.011 0.000 0.968 240 D CA 1.443 55.458 54.000 0.024 0.000 0.882 240 D CB -0.126 40.693 40.800 0.031 0.000 0.918 240 D HN 0.445 nan 8.370 nan 0.000 0.503 241 G N -0.055 108.750 108.800 0.008 0.000 2.352 241 G HA2 -0.244 3.717 3.960 0.000 0.000 0.204 241 G HA3 -0.244 3.717 3.960 0.000 0.000 0.204 241 G C 0.527 175.407 174.900 -0.034 0.000 1.004 241 G CA 0.282 45.376 45.100 -0.011 0.000 0.648 241 G HN 0.762 nan 8.290 nan 0.000 0.491 242 T N 0.193 114.723 114.554 -0.040 0.000 2.871 242 T HA 0.470 4.821 4.350 0.000 0.000 0.296 242 T C 0.080 174.687 174.700 -0.155 0.000 0.998 242 T CA 0.281 62.298 62.100 -0.138 0.000 1.162 242 T CB 1.806 70.588 68.868 -0.143 0.000 0.947 242 T HN 0.954 nan 8.240 nan 0.000 0.536 243 V N 5.239 125.006 119.914 -0.245 0.000 2.384 243 V HA 0.416 4.536 4.120 0.000 0.000 0.287 243 V C -0.860 175.091 176.094 -0.239 0.000 1.020 243 V CA -0.977 61.237 62.300 -0.143 0.000 0.850 243 V CB 0.409 32.185 31.823 -0.078 0.000 0.987 243 V HN 0.872 nan 8.190 nan 0.000 0.436 244 Y N 3.581 123.863 120.300 -0.030 0.000 2.457 244 Y HA 0.578 5.129 4.550 0.000 0.000 0.333 244 Y C 0.497 176.374 175.900 -0.040 0.000 1.119 244 Y CA -0.961 57.118 58.100 -0.036 0.000 1.143 244 Y CB 1.578 40.011 38.460 -0.044 0.000 1.230 244 Y HN 0.669 nan 8.280 nan 0.000 0.469 245 N N 1.273 120.042 118.700 0.115 0.000 2.310 245 N HA 0.767 5.507 4.740 0.000 0.000 0.292 245 N C -1.864 173.658 175.510 0.021 0.000 1.049 245 N CA -0.346 52.729 53.050 0.042 0.000 0.849 245 N CB 2.173 40.666 38.487 0.009 0.000 1.532 245 N HN 0.815 nan 8.380 nan 0.000 0.479 246 A N 1.979 124.792 122.820 -0.013 0.000 2.569 246 A HA 0.485 4.805 4.320 0.000 0.000 0.290 246 A C 0.026 177.564 177.584 -0.076 0.000 1.136 246 A CA -0.546 51.470 52.037 -0.035 0.000 0.710 246 A CB 1.089 20.063 19.000 -0.044 0.000 1.303 246 A HN 0.608 nan 8.150 nan 0.000 0.413 247 D N -0.504 119.851 120.400 -0.075 0.000 2.078 247 D HA -0.004 4.636 4.640 0.000 0.000 0.193 247 D C -0.251 175.806 176.300 -0.405 0.000 0.990 247 D CA 2.265 56.151 54.000 -0.189 0.000 0.827 247 D CB -0.207 40.588 40.800 -0.009 0.000 0.975 247 D HN 0.497 nan 8.370 nan 0.000 0.451 248 Y N -1.115 119.142 120.300 -0.072 0.000 2.524 248 Y HA 0.522 5.072 4.550 0.000 0.000 0.344 248 Y C -0.235 175.604 175.900 -0.102 0.000 1.012 248 Y CA -1.020 57.030 58.100 -0.083 0.000 1.068 248 Y CB 2.334 40.743 38.460 -0.084 0.000 1.249 248 Y HN -0.389 nan 8.280 nan 0.000 0.468 249 V N 4.185 124.124 119.914 0.041 0.000 2.482 249 V HA 0.376 4.496 4.120 0.000 0.000 0.295 249 V C -0.641 175.407 176.094 -0.076 0.000 1.026 249 V CA -0.810 61.468 62.300 -0.037 0.000 0.856 249 V CB 1.609 33.401 31.823 -0.051 0.000 1.001 249 V HN 0.585 nan 8.190 nan 0.000 0.424 250 I N 6.100 126.619 120.570 -0.084 0.000 2.307 250 I HA 0.404 4.574 4.170 0.000 0.000 0.287 250 I C -0.206 175.864 176.117 -0.078 0.000 1.054 250 I CA -0.197 61.045 61.300 -0.096 0.000 1.218 250 I CB 0.936 38.889 38.000 -0.079 0.000 1.398 250 I HN 0.451 nan 8.210 nan 0.000 0.475 251 I N 5.913 126.414 120.570 -0.114 0.000 2.379 251 I HA 0.063 4.233 4.170 0.000 0.000 0.290 251 I C 1.296 177.498 176.117 0.142 0.000 1.063 251 I CA 0.195 61.498 61.300 0.005 0.000 1.351 251 I CB 0.956 38.949 38.000 -0.013 0.000 1.410 251 I HN 0.608 nan 8.210 nan 0.000 0.505 252 T N 2.628 117.269 114.554 0.144 0.000 3.132 252 T HA 0.172 4.522 4.350 0.000 0.000 0.274 252 T C 0.413 175.253 174.700 0.234 0.000 1.011 252 T CA -0.373 61.842 62.100 0.190 0.000 0.899 252 T CB -0.348 68.587 68.868 0.112 0.000 1.089 252 T HN 0.353 nan 8.240 nan 0.000 0.543 253 V N 0.619 120.668 119.914 0.225 0.000 3.178 253 V HA 0.395 4.516 4.120 0.000 0.000 0.306 253 V C -2.292 173.915 176.094 0.188 0.000 1.107 253 V CA -1.765 60.648 62.300 0.188 0.000 1.195 253 V CB -0.259 31.669 31.823 0.176 0.000 0.993 253 V HN 0.199 nan 8.190 nan 0.000 0.493 254 P HA 0.075 nan 4.420 nan 0.000 0.271 254 P C 0.536 177.714 177.300 -0.204 0.000 1.218 254 P CA -0.057 62.984 63.100 -0.098 0.000 0.780 254 P CB 0.978 32.663 31.700 -0.026 0.000 0.901 255 Q N 2.746 122.176 119.800 -0.617 0.000 2.082 255 Q HA -0.277 4.063 4.340 0.000 0.000 0.211 255 Q C 1.932 177.962 176.000 0.050 0.000 1.002 255 Q CA 3.258 58.874 55.803 -0.312 0.000 0.868 255 Q CB -0.483 28.036 28.738 -0.364 0.000 0.931 255 Q HN 0.607 nan 8.270 nan 0.000 0.414 256 S N -0.830 114.863 115.700 -0.011 0.000 2.374 256 S HA -0.158 4.313 4.470 0.000 0.000 0.227 256 S C 1.952 176.573 174.600 0.035 0.000 1.037 256 S CA 1.620 59.838 58.200 0.030 0.000 1.024 256 S CB -0.807 62.398 63.200 0.008 0.000 0.861 256 S HN 0.298 nan 8.310 nan 0.000 0.456 257 V N 1.729 121.669 119.914 0.045 0.000 2.323 257 V HA -0.041 4.079 4.120 0.000 0.000 0.244 257 V C 2.488 178.620 176.094 0.063 0.000 1.041 257 V CA 1.559 63.895 62.300 0.060 0.000 1.025 257 V CB -0.930 30.954 31.823 0.103 0.000 0.656 257 V HN 0.454 nan 8.190 nan 0.000 0.451 258 L N 1.374 122.671 121.223 0.124 0.000 2.127 258 L HA -0.163 4.177 4.340 0.000 0.000 0.211 258 L C 1.986 178.825 176.870 -0.052 0.000 1.089 258 L CA 2.063 57.019 54.840 0.194 0.000 0.757 258 L CB -1.182 41.109 42.059 0.388 0.000 0.899 258 L HN 0.453 nan 8.230 nan 0.000 0.434 259 N N -1.039 117.549 118.700 -0.186 0.000 2.609 259 N HA -0.120 4.620 4.740 0.000 0.000 0.190 259 N C 1.358 176.654 175.510 -0.356 0.000 1.157 259 N CA 0.696 53.343 53.050 -0.671 0.000 0.918 259 N CB -0.193 38.132 38.487 -0.271 0.000 0.978 259 N HN 0.508 nan 8.380 nan 0.000 0.448 260 L N -1.373 119.748 121.223 -0.170 0.000 2.416 260 L HA 0.143 4.484 4.340 0.000 0.000 0.216 260 L C 1.773 178.593 176.870 -0.082 0.000 1.098 260 L CA 0.157 54.937 54.840 -0.099 0.000 0.840 260 L CB -0.095 41.936 42.059 -0.046 0.000 0.981 260 L HN 0.094 nan 8.230 nan 0.000 0.462 261 S N 0.310 115.971 115.700 -0.064 0.000 2.442 261 S HA -0.097 4.373 4.470 0.000 0.000 0.236 261 S C 1.546 176.146 174.600 -0.001 0.000 1.007 261 S CA 1.261 59.477 58.200 0.025 0.000 0.965 261 S CB -0.084 63.265 63.200 0.248 0.000 0.773 261 S HN 0.417 nan 8.310 nan 0.000 0.504 262 V N -1.868 117.978 119.914 -0.114 0.000 3.249 262 V HA 0.589 4.709 4.120 0.000 0.000 0.338 262 V C 0.126 176.175 176.094 -0.075 0.000 1.363 262 V CA 0.181 62.422 62.300 -0.099 0.000 1.205 262 V CB -1.112 30.601 31.823 -0.183 0.000 1.164 262 V HN 0.379 nan 8.190 nan 0.000 0.458 263 Q N -0.192 119.572 119.800 -0.060 0.000 2.552 263 Q HA 0.924 5.264 4.340 0.000 0.000 0.289 263 Q C -2.470 173.517 176.000 -0.022 0.000 1.097 263 Q CA -1.004 54.774 55.803 -0.040 0.000 0.812 263 Q CB 0.522 nan 28.738 nan 0.000 1.460 263 Q HN 0.554 nan 8.270 nan 0.000 0.452 264 P HA 0.775 nan 4.420 nan 0.000 0.296 264 P C -0.329 176.965 177.300 -0.011 0.000 1.301 264 P CA 1.018 64.112 63.100 -0.009 0.000 0.862 264 P CB 0.589 nan 31.700 nan 0.000 1.046 265 E N -0.534 119.660 120.200 -0.010 0.000 6.874 265 E HA 0.254 4.604 4.350 0.000 0.000 0.189 265 E C 0.352 176.943 176.600 -0.015 0.000 1.005 265 E CA 0.679 57.072 56.400 -0.011 0.000 1.559 265 E CB -2.605 nan 29.700 nan 0.000 0.926 265 E HN 1.247 nan 8.360 nan 0.000 0.305 266 K N 1.508 121.899 120.400 -0.014 0.000 2.706 266 K HA 0.210 4.530 4.320 0.000 0.000 0.217 266 K C 1.098 177.688 176.600 -0.016 0.000 1.019 266 K CA 0.709 56.985 56.287 -0.019 0.000 1.181 266 K CB -0.183 nan 32.500 nan 0.000 0.940 266 K HN 0.599 nan 8.250 nan 0.000 0.491 267 N N 0.099 118.790 118.700 -0.014 0.000 2.236 267 N HA 0.104 4.844 4.740 0.000 0.000 0.196 267 N C -0.606 174.894 175.510 -0.016 0.000 1.114 267 N CA -0.109 52.933 53.050 -0.012 0.000 0.859 267 N CB 0.108 38.588 38.487 -0.011 0.000 0.982 267 N HN 0.404 nan 8.380 nan 0.000 0.493 268 L N 1.916 123.127 121.223 -0.020 0.000 2.367 268 L HA 0.205 4.545 4.340 0.000 0.000 0.275 268 L C 0.825 177.680 176.870 -0.025 0.000 1.129 268 L CA -0.426 54.398 54.840 -0.026 0.000 0.839 268 L CB 0.629 42.672 42.059 -0.028 0.000 1.133 268 L HN -0.050 nan 8.230 nan 0.000 0.453 269 R N 2.317 122.789 120.500 -0.047 0.000 2.502 269 R HA 0.308 4.648 4.340 0.000 0.000 0.292 269 R C 1.040 177.319 176.300 -0.035 0.000 0.998 269 R CA 1.244 57.309 56.100 -0.060 0.000 1.056 269 R CB -0.070 30.132 30.300 -0.163 0.000 0.939 269 R HN 0.802 nan 8.270 nan 0.000 0.411 270 G N 3.434 112.290 108.800 0.094 0.000 2.358 270 G HA2 -0.300 3.660 3.960 0.000 0.000 0.224 270 G HA3 -0.300 3.660 3.960 0.000 0.000 0.224 270 G C 0.034 174.986 174.900 0.087 0.000 1.073 270 G CA 0.133 45.344 45.100 0.186 0.000 0.635 270 G HN 0.715 nan 8.290 nan 0.000 0.509 271 R N 1.703 122.220 120.500 0.028 0.000 2.537 271 R HA 0.267 4.607 4.340 0.000 0.000 0.281 271 R C -0.087 176.181 176.300 -0.054 0.000 0.988 271 R CA 0.402 56.495 56.100 -0.012 0.000 1.077 271 R CB -0.440 29.845 30.300 -0.025 0.000 0.932 271 R HN 0.477 nan 8.270 nan 0.000 0.409 272 I N 3.239 123.736 120.570 -0.122 0.000 2.377 272 I HA 0.128 4.299 4.170 0.000 0.000 0.293 272 I C 0.080 175.969 176.117 -0.380 0.000 0.987 272 I CA -0.827 60.308 61.300 -0.275 0.000 1.185 272 I CB 1.789 39.530 38.000 -0.431 0.000 1.341 272 I HN 0.478 nan 8.210 nan 0.000 0.455 273 E N 6.084 126.100 120.200 -0.306 0.000 2.089 273 E HA 0.335 4.686 4.350 0.000 0.000 0.284 273 E C -1.425 175.029 176.600 -0.244 0.000 1.023 273 E CA -0.164 56.114 56.400 -0.203 0.000 0.819 273 E CB 0.391 30.037 29.700 -0.090 0.000 1.076 273 E HN 0.216 nan 8.360 nan 0.000 0.396 274 F N 3.343 123.312 119.950 0.032 0.000 2.394 274 F HA 0.336 4.863 4.527 0.000 0.000 0.340 274 F C 0.503 176.318 175.800 0.025 0.000 1.105 274 F CA -0.493 57.528 58.000 0.035 0.000 1.124 274 F CB 1.354 40.391 39.000 0.061 0.000 1.145 274 F HN 0.278 nan 8.300 nan 0.000 0.505 275 Q N 6.240 126.176 119.800 0.227 0.000 2.337 275 Q HA 0.353 4.694 4.340 0.000 0.000 0.260 275 Q C -2.724 173.338 176.000 0.102 0.000 0.982 275 Q CA -2.556 53.322 55.803 0.125 0.000 0.734 275 Q CB 1.730 30.511 28.738 0.070 0.000 1.272 275 Q HN 0.148 nan 8.270 nan 0.000 0.461 276 P HA 0.265 nan 4.420 nan 0.000 0.274 276 P C -2.470 174.897 177.300 0.111 0.000 1.256 276 P CA -1.135 62.011 63.100 0.077 0.000 0.795 276 P CB 0.050 31.777 31.700 0.045 0.000 1.038 277 P HA 0.080 nan 4.420 nan 0.000 0.271 277 P C -0.055 177.280 177.300 0.059 0.000 1.233 277 P CA 0.097 63.265 63.100 0.113 0.000 0.789 277 P CB 0.472 32.220 31.700 0.080 0.000 0.951 278 L N 1.593 122.843 121.223 0.046 0.000 2.477 278 L HA 0.072 4.412 4.340 0.000 0.000 0.272 278 L C 1.515 178.393 176.870 0.013 0.000 1.157 278 L CA -0.274 54.550 54.840 -0.026 0.000 0.889 278 L CB -0.374 41.676 42.059 -0.016 0.000 1.158 278 L HN 0.421 nan 8.230 nan 0.000 0.473 279 K N 4.594 124.996 120.400 0.004 0.000 2.494 279 K HA 0.034 4.354 4.320 0.000 0.000 0.273 279 K C -1.782 174.832 176.600 0.024 0.000 0.970 279 K CA -1.092 55.203 56.287 0.014 0.000 0.963 279 K CB -0.027 32.478 32.500 0.009 0.000 0.913 279 K HN 0.295 nan 8.250 nan 0.000 0.502 280 P HA -0.315 nan 4.420 nan 0.000 0.217 280 P C 1.660 178.976 177.300 0.028 0.000 1.162 280 P CA 1.389 64.508 63.100 0.030 0.000 0.901 280 P CB -0.145 31.569 31.700 0.023 0.000 0.793 281 V N 0.223 120.143 119.914 0.011 0.000 2.277 281 V HA -0.266 3.854 4.120 0.000 0.000 0.255 281 V C 2.469 178.552 176.094 -0.017 0.000 1.074 281 V CA 2.113 64.409 62.300 -0.005 0.000 1.058 281 V CB -1.127 30.688 31.823 -0.014 0.000 0.656 281 V HN -0.078 nan 8.190 nan 0.000 0.449 282 I N -0.328 120.235 120.570 -0.011 0.000 2.163 282 I HA -0.213 3.957 4.170 0.000 0.000 0.240 282 I C 2.667 178.858 176.117 0.123 0.000 1.081 282 I CA 1.973 63.261 61.300 -0.020 0.000 1.353 282 I CB -1.576 36.413 38.000 -0.019 0.000 1.054 282 I HN 0.460 nan 8.210 nan 0.000 0.407 283 Q N 0.411 120.311 119.800 0.168 0.000 2.234 283 Q HA -0.207 4.134 4.340 0.000 0.000 0.206 283 Q C 1.474 177.605 176.000 0.218 0.000 0.980 283 Q CA 1.261 57.208 55.803 0.241 0.000 0.869 283 Q CB -0.092 28.714 28.738 0.112 0.000 0.912 283 Q HN 0.566 nan 8.270 nan 0.000 0.436 284 D N 0.150 120.616 120.400 0.111 0.000 2.289 284 D HA -0.010 4.630 4.640 0.000 0.000 0.207 284 D C 1.690 178.013 176.300 0.038 0.000 0.966 284 D CA 0.755 54.797 54.000 0.070 0.000 0.868 284 D CB 0.072 40.891 40.800 0.033 0.000 0.943 284 D HN 0.194 nan 8.370 nan 0.000 0.514 285 A N 0.718 123.525 122.820 -0.022 0.000 1.933 285 A HA -0.149 4.171 4.320 0.000 0.000 0.218 285 A C 1.738 179.197 177.584 -0.208 0.000 1.175 285 A CA 0.851 52.787 52.037 -0.168 0.000 0.628 285 A CB -1.000 nan 19.000 nan 0.000 0.814 285 A HN 0.138 nan 8.150 nan 0.000 0.444 286 F N 0.517 120.445 119.950 -0.036 0.000 2.641 286 F HA -0.069 4.458 4.527 0.000 0.000 0.298 286 F C 1.491 177.281 175.800 -0.018 0.000 1.146 286 F CA 0.898 58.879 58.000 -0.031 0.000 1.464 286 F CB -0.008 38.980 39.000 -0.020 0.000 1.101 286 F HN 0.240 nan 8.300 nan 0.000 0.585 287 D N 0.176 120.648 120.400 0.120 0.000 2.347 287 D HA -0.009 4.631 4.640 0.000 0.000 0.213 287 D C 1.572 177.901 176.300 0.049 0.000 0.985 287 D CA 0.518 54.570 54.000 0.087 0.000 0.879 287 D CB -0.005 40.837 40.800 0.071 0.000 0.919 287 D HN 0.309 nan 8.370 nan 0.000 0.526 288 K N 1.228 121.629 120.400 0.001 0.000 2.758 288 K HA 0.544 4.864 4.320 0.000 0.000 0.250 288 K C 1.066 177.625 176.600 -0.068 0.000 1.268 288 K CA 0.416 56.688 56.287 -0.026 0.000 1.228 288 K CB -1.952 30.514 32.500 -0.056 0.000 1.715 288 K HN 0.209 nan 8.250 nan 0.000 0.334 289 I N -1.452 119.092 120.570 -0.043 0.000 4.283 289 I HA 0.129 4.299 4.170 0.000 0.000 0.113 289 I C 1.157 177.092 176.117 -0.304 0.000 0.953 289 I CA 2.456 63.640 61.300 -0.194 0.000 0.624 289 I CB -1.848 nan 38.000 nan 0.000 1.060 289 I HN 2.576 nan 8.210 nan 0.000 0.619 290 H N -3.166 115.550 119.070 -0.589 0.000 2.988 290 H HA 0.688 5.244 4.556 0.000 0.000 0.206 290 H C 0.883 175.972 175.328 -0.398 0.000 1.230 290 H CA 1.029 56.844 56.048 -0.389 0.000 1.190 290 H CB -1.168 nan 29.762 nan 0.000 1.799 290 H HN 3.354 nan 8.280 nan 0.000 0.352 291 F N -1.440 118.374 119.950 -0.225 0.000 2.086 291 F HA 0.366 4.893 4.527 0.000 0.000 0.393 291 F C 1.188 176.881 175.800 -0.178 0.000 1.154 291 F CA 1.288 59.185 58.000 -0.172 0.000 1.298 291 F CB -1.430 37.509 39.000 -0.102 0.000 2.015 291 F HN 2.583 nan 8.300 nan 0.000 0.739 292 G N 0.748 109.404 108.800 -0.239 0.000 2.613 292 G HA2 1.009 4.969 3.960 0.000 0.000 0.303 292 G HA3 1.009 4.969 3.960 0.000 0.000 0.303 292 G C 0.479 175.247 174.900 -0.220 0.000 1.312 292 G CA -0.241 44.740 45.100 -0.199 0.000 1.036 292 G HN 2.718 nan 8.290 nan 0.000 0.513 293 A N -0.105 122.629 122.820 -0.144 0.000 3.297 293 A HA 0.515 4.836 4.320 0.000 0.000 0.304 293 A C -0.364 177.188 177.584 -0.054 0.000 0.963 293 A CA -0.410 51.574 52.037 -0.087 0.000 0.935 293 A CB -0.022 18.968 19.000 -0.017 0.000 1.093 293 A HN 0.575 nan 8.150 nan 0.000 0.480 294 L N 1.322 122.473 121.223 -0.120 0.000 2.453 294 L HA 0.572 4.913 4.340 0.000 0.000 0.272 294 L C 0.635 177.563 176.870 0.096 0.000 1.182 294 L CA 0.948 55.795 54.840 0.012 0.000 0.858 294 L CB 0.845 42.949 42.059 0.075 0.000 1.120 294 L HN 0.456 nan 8.230 nan 0.000 0.474 295 G N 3.943 112.813 108.800 0.118 0.000 2.630 295 G HA2 0.652 4.613 3.960 0.000 0.000 0.296 295 G HA3 0.652 4.613 3.960 0.000 0.000 0.296 295 G C -1.480 173.489 174.900 0.114 0.000 1.285 295 G CA -0.723 44.467 45.100 0.149 0.000 0.958 295 G HN 0.537 nan 8.290 nan 0.000 0.479 296 K N -0.569 119.882 120.400 0.085 0.000 2.464 296 K HA 0.624 4.945 4.320 0.000 0.000 0.253 296 K C -1.522 175.011 176.600 -0.112 0.000 0.933 296 K CA -0.704 55.585 56.287 0.005 0.000 0.801 296 K CB 3.118 35.650 32.500 0.053 0.000 1.271 296 K HN 0.274 nan 8.250 nan 0.000 0.430 297 V N 3.838 123.623 119.914 -0.215 0.000 2.577 297 V HA 0.428 4.548 4.120 0.000 0.000 0.303 297 V C -0.773 175.033 176.094 -0.480 0.000 1.042 297 V CA -0.949 61.098 62.300 -0.423 0.000 0.872 297 V CB 1.705 33.160 31.823 -0.613 0.000 0.998 297 V HN 0.605 nan 8.190 nan 0.000 0.423 298 I N 4.611 124.840 120.570 -0.568 0.000 2.354 298 I HA 0.477 4.647 4.170 0.000 0.000 0.292 298 I C -0.692 175.049 176.117 -0.625 0.000 0.989 298 I CA -0.530 60.466 61.300 -0.507 0.000 1.188 298 I CB 1.138 38.725 38.000 -0.688 0.000 1.342 298 I HN 0.426 nan 8.210 nan 0.000 0.457 299 F N 4.295 124.154 119.950 -0.152 0.000 2.332 299 F HA 0.348 4.875 4.527 0.000 0.000 0.368 299 F C 0.749 176.388 175.800 -0.268 0.000 1.110 299 F CA -0.618 57.243 58.000 -0.232 0.000 1.087 299 F CB 0.907 39.824 39.000 -0.139 0.000 1.235 299 F HN 0.382 nan 8.300 nan 0.000 0.470 300 E N 4.153 124.227 120.200 -0.211 0.000 2.089 300 E HA 0.295 4.646 4.350 0.000 0.000 0.284 300 E C -0.913 175.554 176.600 -0.221 0.000 1.023 300 E CA -0.420 55.945 56.400 -0.059 0.000 0.819 300 E CB 0.926 30.642 29.700 0.025 0.000 1.076 300 E HN 0.319 nan 8.360 nan 0.000 0.396 301 F N 1.188 121.203 119.950 0.108 0.000 2.403 301 F HA 0.113 4.640 4.527 0.000 0.000 0.326 301 F C 1.793 177.681 175.800 0.145 0.000 1.081 301 F CA -0.679 57.381 58.000 0.100 0.000 1.041 301 F CB 0.844 39.962 39.000 0.197 0.000 1.234 301 F HN 0.404 nan 8.300 nan 0.000 0.503 302 E N 0.992 121.363 120.200 0.285 0.000 2.038 302 E HA -0.162 4.188 4.350 0.000 0.000 0.195 302 E C -0.168 176.577 176.600 0.240 0.000 1.000 302 E CA 1.730 58.294 56.400 0.273 0.000 0.803 302 E CB 0.024 29.831 29.700 0.178 0.000 0.750 302 E HN 0.696 nan 8.360 nan 0.000 0.448 303 E N -2.160 118.144 120.200 0.173 0.000 2.445 303 E HA 0.278 4.628 4.350 0.000 0.000 0.279 303 E C -1.294 175.206 176.600 -0.167 0.000 1.018 303 E CA -0.878 55.540 56.400 0.031 0.000 0.816 303 E CB 0.731 30.424 29.700 -0.011 0.000 1.356 303 E HN 0.099 nan 8.360 nan 0.000 0.462 304 C N 1.733 120.783 119.300 -0.417 0.000 2.576 304 C HA 0.480 4.940 4.460 0.000 0.000 0.401 304 C C 1.054 175.563 174.990 -0.803 0.000 1.314 304 C CA 0.075 58.435 59.018 -1.096 0.000 1.855 304 C CB -1.366 25.800 27.740 -0.957 0.000 2.537 304 C HN 0.730 nan 8.230 nan 0.000 0.578 305 C N 4.865 123.660 119.300 -0.843 0.000 3.245 305 C HA 0.585 5.046 4.460 0.000 0.000 0.254 305 C C -0.517 174.389 174.990 -0.141 0.000 1.931 305 C CA -0.777 58.049 59.018 -0.321 0.000 1.726 305 C CB -2.077 25.602 27.740 -0.101 0.000 3.348 305 C HN 0.981 nan 8.230 nan 0.000 0.458 306 W N -0.140 121.111 121.300 -0.082 0.000 2.902 306 W HA 0.758 5.419 4.660 0.001 0.000 0.346 306 W C -0.224 176.275 176.519 -0.033 0.000 1.139 306 W CA -1.199 56.108 57.345 -0.063 0.000 1.139 306 W CB 0.280 29.691 29.460 -0.082 0.000 1.439 306 W HN 0.071 nan 8.180 nan 0.000 0.558 307 S N 1.523 117.357 115.700 0.224 0.000 2.549 307 S HA 0.115 4.585 4.470 0.000 0.000 0.283 307 S C 0.085 174.819 174.600 0.224 0.000 1.320 307 S CA -0.263 58.016 58.200 0.133 0.000 1.058 307 S CB -0.038 63.220 63.200 0.097 0.000 0.882 307 S HN 0.495 nan 8.310 nan 0.000 0.498 308 N N 4.049 122.816 118.700 0.112 0.000 3.209 308 N HA 0.083 4.823 4.740 0.000 0.000 0.309 308 N C 0.907 176.458 175.510 0.068 0.000 1.384 308 N CA -0.050 53.076 53.050 0.127 0.000 1.173 308 N CB 0.578 39.103 38.487 0.064 0.000 1.460 308 N HN 0.807 nan 8.380 nan 0.000 0.534 309 E N -0.211 120.026 120.200 0.062 0.000 2.150 309 E HA -0.059 4.292 4.350 0.000 0.000 0.193 309 E C 0.003 176.603 176.600 0.001 0.000 0.985 309 E CA 0.554 56.969 56.400 0.025 0.000 0.814 309 E CB 0.389 30.101 29.700 0.020 0.000 0.752 309 E HN 0.195 nan 8.360 nan 0.000 0.466 310 S N -1.982 113.710 115.700 -0.014 0.000 2.596 310 S HA 0.221 4.691 4.470 0.000 0.000 0.270 310 S C -0.000 174.551 174.600 -0.081 0.000 1.155 310 S CA -0.155 58.011 58.200 -0.056 0.000 0.827 310 S CB 1.517 64.659 63.200 -0.097 0.000 1.130 310 S HN 0.117 nan 8.310 nan 0.000 0.467 311 S N 0.999 116.629 115.700 -0.116 0.000 2.539 311 S HA 0.414 4.884 4.470 0.000 0.000 0.221 311 S C -0.333 174.116 174.600 -0.253 0.000 0.987 311 S CA -0.310 57.807 58.200 -0.138 0.000 0.929 311 S CB -0.060 63.090 63.200 -0.084 0.000 0.832 311 S HN 0.427 nan 8.310 nan 0.000 0.492 312 K N 1.883 122.071 120.400 -0.354 0.000 2.483 312 K HA 0.577 4.897 4.320 0.000 0.000 0.256 312 K C -1.211 175.110 176.600 -0.465 0.000 0.961 312 K CA -0.317 55.646 56.287 -0.539 0.000 0.873 312 K CB 1.411 33.191 32.500 -1.200 0.000 1.107 312 K HN 0.336 nan 8.250 nan 0.000 0.432 313 I N 2.091 122.480 120.570 -0.302 0.000 2.498 313 I HA 0.397 4.567 4.170 0.000 0.000 0.290 313 I C -0.589 175.584 176.117 0.093 0.000 1.032 313 I CA -1.303 59.894 61.300 -0.173 0.000 1.073 313 I CB 2.255 40.084 38.000 -0.284 0.000 1.251 313 I HN 0.013 nan 8.210 nan 0.000 0.426 314 V N 3.860 123.838 119.914 0.107 0.000 2.483 314 V HA 0.372 4.493 4.120 0.000 0.000 0.297 314 V C 0.078 176.349 176.094 0.294 0.000 1.027 314 V CA -0.616 61.864 62.300 0.299 0.000 0.855 314 V CB 2.033 34.029 31.823 0.288 0.000 0.995 314 V HN 0.848 nan 8.190 nan 0.000 0.424 315 T N 4.156 118.921 114.554 0.353 0.000 2.771 315 T HA 0.643 4.993 4.350 0.000 0.000 0.291 315 T C -0.429 174.511 174.700 0.401 0.000 0.954 315 T CA -0.695 61.616 62.100 0.352 0.000 1.045 315 T CB 0.899 69.903 68.868 0.227 0.000 0.917 315 T HN 0.195 nan 8.240 nan 0.000 0.484 316 L N 2.586 124.077 121.223 0.446 0.000 2.350 316 L HA 0.584 4.925 4.340 0.000 0.000 0.275 316 L C 1.076 178.182 176.870 0.392 0.000 1.099 316 L CA -0.701 54.361 54.840 0.370 0.000 0.808 316 L CB 0.185 42.442 42.059 0.329 0.000 1.149 316 L HN 1.005 nan 8.230 nan 0.000 0.442 317 A N 3.285 126.259 122.820 0.258 0.000 2.425 317 A HA 0.190 4.511 4.320 0.000 0.000 0.242 317 A C 0.495 178.184 177.584 0.175 0.000 1.077 317 A CA -0.404 51.777 52.037 0.240 0.000 0.781 317 A CB -0.149 18.916 19.000 0.109 0.000 1.020 317 A HN 0.798 nan 8.150 nan 0.000 0.494 318 N N 0.588 119.379 118.700 0.152 0.000 2.441 318 N HA 0.244 4.985 4.740 0.000 0.000 0.251 318 N C 0.249 175.741 175.510 -0.029 0.000 1.242 318 N CA 0.804 53.863 53.050 0.015 0.000 0.898 318 N CB 0.699 39.175 38.487 -0.018 0.000 1.100 318 N HN 0.783 nan 8.380 nan 0.000 0.443 319 S N -1.156 114.482 115.700 -0.103 0.000 2.671 319 S HA 0.778 5.248 4.470 0.000 0.000 0.299 319 S C -0.269 174.258 174.600 -0.122 0.000 1.116 319 S CA -0.885 57.221 58.200 -0.158 0.000 0.912 319 S CB 1.818 64.832 63.200 -0.311 0.000 1.130 319 S HN 0.586 nan 8.310 nan 0.000 0.501 320 T N -1.297 113.219 114.554 -0.063 0.000 2.900 320 T HA 0.490 4.841 4.350 0.000 0.000 0.295 320 T C 0.142 174.872 174.700 0.051 0.000 1.044 320 T CA -0.933 61.167 62.100 0.000 0.000 0.995 320 T CB 1.324 70.222 68.868 0.050 0.000 1.072 320 T HN 0.439 nan 8.240 nan 0.000 0.473 321 N N 0.915 119.631 118.700 0.026 0.000 2.381 321 N HA -0.085 4.655 4.740 0.000 0.000 0.182 321 N C 1.502 177.044 175.510 0.054 0.000 1.025 321 N CA 0.864 53.937 53.050 0.039 0.000 0.888 321 N CB -0.080 38.420 38.487 0.022 0.000 0.965 321 N HN 0.848 nan 8.380 nan 0.000 0.438 322 E N 0.324 120.561 120.200 0.062 0.000 2.153 322 E HA -0.148 4.202 4.350 0.000 0.000 0.194 322 E C 1.636 178.278 176.600 0.070 0.000 0.988 322 E CA 0.681 57.112 56.400 0.052 0.000 0.811 322 E CB -0.183 29.551 29.700 0.056 0.000 0.746 322 E HN 0.297 nan 8.360 nan 0.000 0.466 323 F N -0.054 119.893 119.950 -0.005 0.000 2.134 323 F HA -0.184 4.344 4.527 0.000 0.000 0.299 323 F C 1.836 177.634 175.800 -0.003 0.000 1.097 323 F CA 1.243 59.248 58.000 0.009 0.000 1.264 323 F CB -0.433 38.581 39.000 0.024 0.000 1.001 323 F HN -0.096 nan 8.300 nan 0.000 0.479 324 V N 0.545 120.448 119.914 -0.018 0.000 2.233 324 V HA -0.337 3.783 4.120 0.000 0.000 0.247 324 V C 2.395 178.382 176.094 -0.178 0.000 1.050 324 V CA 2.295 64.530 62.300 -0.108 0.000 1.010 324 V CB -0.943 30.888 31.823 0.014 0.000 0.637 324 V HN 0.304 nan 8.190 nan 0.000 0.444 325 E N 0.255 120.393 120.200 -0.103 0.000 2.147 325 E HA -0.243 4.107 4.350 0.000 0.000 0.199 325 E C 1.835 178.352 176.600 -0.138 0.000 1.005 325 E CA 1.815 58.157 56.400 -0.096 0.000 0.810 325 E CB -0.436 29.231 29.700 -0.054 0.000 0.736 325 E HN 0.672 nan 8.360 nan 0.000 0.460 326 I N -0.937 119.517 120.570 -0.193 0.000 2.439 326 I HA -0.190 3.980 4.170 0.000 0.000 0.251 326 I C 2.109 178.066 176.117 -0.267 0.000 1.139 326 I CA 0.461 61.635 61.300 -0.209 0.000 1.438 326 I CB -0.122 37.752 38.000 -0.209 0.000 1.085 326 I HN 0.006 nan 8.210 nan 0.000 0.427 327 V N 0.909 120.590 119.914 -0.388 0.000 2.427 327 V HA -0.197 3.923 4.120 0.000 0.000 0.248 327 V C 2.637 178.598 176.094 -0.222 0.000 1.051 327 V CA 1.526 63.620 62.300 -0.343 0.000 1.048 327 V CB -0.702 30.880 31.823 -0.402 0.000 0.666 327 V HN 0.355 nan 8.190 nan 0.000 0.456 328 R N 0.733 121.119 120.500 -0.190 0.000 2.081 328 R HA -0.118 4.222 4.340 0.000 0.000 0.235 328 R C 1.957 178.182 176.300 -0.125 0.000 1.131 328 R CA 1.811 57.824 56.100 -0.144 0.000 0.960 328 R CB -1.200 29.030 30.300 -0.116 0.000 0.856 328 R HN 0.689 nan 8.270 nan 0.000 0.436 329 N N 0.566 119.195 118.700 -0.119 0.000 2.109 329 N HA -0.001 4.739 4.740 0.000 0.000 0.188 329 N C 0.539 175.994 175.510 -0.093 0.000 1.034 329 N CA 0.440 53.433 53.050 -0.095 0.000 0.846 329 N CB -0.200 38.237 38.487 -0.083 0.000 1.010 329 N HN 0.117 nan 8.380 nan 0.000 0.425 330 A N 0.923 123.680 122.820 -0.104 0.000 2.624 330 A HA 0.118 4.438 4.320 0.000 0.000 0.231 330 A C 1.058 178.592 177.584 -0.084 0.000 1.034 330 A CA 1.180 53.163 52.037 -0.091 0.000 0.754 330 A CB -0.105 18.833 19.000 -0.104 0.000 0.953 330 A HN 0.565 nan 8.150 nan 0.000 0.509 331 E N 1.664 121.824 120.200 -0.067 0.000 2.489 331 E HA 0.228 4.578 4.350 0.000 0.000 0.204 331 E C 0.359 176.925 176.600 -0.056 0.000 1.006 331 E CA 0.687 57.050 56.400 -0.061 0.000 0.936 331 E CB -0.220 29.451 29.700 -0.049 0.000 1.002 331 E HN 1.075 nan 8.360 nan 0.000 0.488 332 N N -3.701 114.966 118.700 -0.056 0.000 3.339 332 N HA 0.295 5.035 4.740 0.000 0.000 0.275 332 N C 1.084 176.565 175.510 -0.049 0.000 1.514 332 N CA 0.240 53.261 53.050 -0.049 0.000 0.879 332 N CB 0.611 39.076 38.487 -0.037 0.000 1.557 332 N HN 0.432 nan 8.380 nan 0.000 0.524 333 L N -0.292 120.907 121.223 -0.040 0.000 2.093 333 L HA 0.004 4.344 4.340 0.000 0.000 0.208 333 L C 1.909 178.761 176.870 -0.028 0.000 1.085 333 L CA 2.523 57.341 54.840 -0.037 0.000 0.755 333 L CB -1.478 40.565 42.059 -0.028 0.000 0.904 333 L HN 0.696 nan 8.230 nan 0.000 0.435 334 D N -1.214 119.172 120.400 -0.023 0.000 2.149 334 D HA -0.189 4.451 4.640 0.000 0.000 0.201 334 D C 2.022 178.312 176.300 -0.017 0.000 0.972 334 D CA 1.502 55.493 54.000 -0.016 0.000 0.835 334 D CB 0.178 40.970 40.800 -0.014 0.000 0.966 334 D HN 0.816 nan 8.370 nan 0.000 0.476 335 E N 0.614 120.799 120.200 -0.026 0.000 2.106 335 E HA -0.104 4.247 4.350 0.000 0.000 0.192 335 E C 2.341 178.922 176.600 -0.032 0.000 0.984 335 E CA 0.252 56.635 56.400 -0.029 0.000 0.806 335 E CB 0.002 29.680 29.700 -0.038 0.000 0.750 335 E HN 0.161 nan 8.360 nan 0.000 0.458 336 L N 0.936 122.133 121.223 -0.043 0.000 2.027 336 L HA -0.178 4.162 4.340 0.000 0.000 0.206 336 L C 2.501 179.365 176.870 -0.011 0.000 1.074 336 L CA 2.166 56.976 54.840 -0.051 0.000 0.745 336 L CB -0.875 41.138 42.059 -0.077 0.000 0.898 336 L HN 0.355 nan 8.230 nan 0.000 0.433 337 D N -0.972 119.427 120.400 -0.001 0.000 2.133 337 D HA -0.299 4.342 4.640 0.000 0.000 0.192 337 D C 2.136 178.457 176.300 0.035 0.000 1.001 337 D CA 2.061 56.080 54.000 0.032 0.000 0.844 337 D CB -0.781 nan 40.800 nan 0.000 0.944 337 D HN 0.622 nan 8.370 nan 0.000 0.447 338 S N -1.341 114.367 115.700 0.013 0.000 2.425 338 S HA 0.026 4.497 4.470 0.000 0.000 0.225 338 S C 2.122 176.728 174.600 0.009 0.000 1.024 338 S CA 1.163 59.369 58.200 0.010 0.000 0.951 338 S CB -0.178 63.023 63.200 0.001 0.000 0.796 338 S HN 0.510 nan 8.310 nan 0.000 0.498 339 M N 0.878 120.477 119.600 -0.001 0.000 2.632 339 M HA 0.236 4.717 4.480 0.000 0.000 0.256 339 M C -0.111 176.195 176.300 0.011 0.000 1.080 339 M CA 0.849 56.144 55.300 -0.008 0.000 1.084 339 M CB -0.254 32.327 32.600 -0.032 0.000 1.439 339 M HN 0.295 nan 8.290 nan 0.000 0.509 340 L N 1.913 123.158 121.223 0.036 0.000 2.598 340 L HA 0.259 4.599 4.340 0.000 0.000 0.241 340 L C 0.041 176.946 176.870 0.058 0.000 1.244 340 L CA -0.460 54.427 54.840 0.078 0.000 1.198 340 L CB -0.328 41.818 42.059 0.146 0.000 1.448 340 L HN 0.135 nan 8.230 nan 0.000 0.406 341 E N 1.043 121.267 120.200 0.040 0.000 2.331 341 E HA 0.688 5.038 4.350 0.000 0.000 0.243 341 E C -0.202 176.415 176.600 0.027 0.000 0.925 341 E CA -0.610 55.806 56.400 0.026 0.000 0.760 341 E CB 1.176 nan 29.700 nan 0.000 1.254 341 E HN 0.468 nan 8.360 nan 0.000 0.419 342 R N 0.692 121.210 120.500 0.031 0.000 2.388 342 R HA 0.831 5.171 4.340 0.000 0.000 0.314 342 R C 0.095 176.408 176.300 0.021 0.000 0.959 342 R CA 0.198 56.316 56.100 0.030 0.000 0.851 342 R CB 0.147 30.475 30.300 0.045 0.000 1.168 342 R HN 1.155 nan 8.270 nan 0.000 0.472 350 S N -0.965 114.756 115.700 0.035 0.000 2.935 350 S HA 0.327 4.798 4.470 0.000 0.000 0.851 350 S C -0.074 174.565 174.600 0.065 0.000 0.902 350 S CA 0.129 58.354 58.200 0.042 0.000 1.428 350 S CB -1.704 61.515 63.200 0.032 0.000 1.024 350 S HN 2.033 nan 8.310 nan 0.000 0.334 351 V N 5.395 125.364 119.914 0.092 0.000 2.406 351 V HA 0.825 4.946 4.120 0.000 0.000 0.272 351 V C 0.983 177.177 176.094 0.165 0.000 1.043 351 V CA 0.535 62.923 62.300 0.147 0.000 0.915 351 V CB 0.961 32.900 31.823 0.195 0.000 0.988 351 V HN 1.601 nan 8.190 nan 0.000 0.466 352 T N 0.648 115.231 114.554 0.048 0.000 2.858 352 T HA 0.208 4.559 4.350 0.000 0.000 0.285 352 T C 1.358 175.791 174.700 -0.445 0.000 1.052 352 T CA -0.019 61.909 62.100 -0.286 0.000 1.009 352 T CB 1.268 70.030 68.868 -0.176 0.000 1.241 352 T HN 0.745 nan 8.240 nan 0.000 0.542 353 C N -1.841 116.870 119.300 -0.982 0.000 2.409 353 C HA 0.094 4.554 4.460 0.000 0.000 0.288 353 C C 1.700 176.434 174.990 -0.427 0.000 1.395 353 C CA -0.226 58.350 59.018 -0.736 0.000 1.792 353 C CB -2.123 25.087 27.740 -0.885 0.000 1.847 353 C HN 0.808 nan 8.230 nan 0.000 0.534 354 W N 1.271 122.509 121.300 -0.102 0.000 3.316 354 W HA 0.262 4.923 4.660 0.000 0.000 0.327 354 W C 2.101 178.630 176.519 0.017 0.000 1.232 354 W CA -0.031 57.307 57.345 -0.012 0.000 1.805 354 W CB -0.169 29.274 29.460 -0.028 0.000 1.090 354 W HN 0.139 nan 8.180 nan 0.000 0.654 355 S N 0.491 116.299 115.700 0.181 0.000 2.562 355 S HA -0.014 4.456 4.470 0.000 0.000 0.221 355 S C 0.716 175.402 174.600 0.144 0.000 0.975 355 S CA 0.396 58.690 58.200 0.157 0.000 0.918 355 S CB -0.193 63.091 63.200 0.140 0.000 0.772 355 S HN 0.242 nan 8.310 nan 0.000 0.531 356 Q N 0.087 119.977 119.800 0.149 0.000 2.590 356 Q HA 0.436 4.776 4.340 0.000 0.000 0.295 356 Q C -3.561 172.523 176.000 0.139 0.000 0.973 356 Q CA -2.351 53.522 55.803 0.118 0.000 0.768 356 Q CB 0.618 29.431 28.738 0.125 0.000 1.479 356 Q HN -0.084 nan 8.270 nan 0.000 0.419 357 P HA 0.399 nan 4.420 nan 0.000 0.278 357 P C -0.709 176.713 177.300 0.203 0.000 1.238 357 P CA -0.291 62.917 63.100 0.179 0.000 0.794 357 P CB 0.992 32.786 31.700 0.156 0.000 0.955 358 L N 2.950 124.323 121.223 0.249 0.000 2.365 358 L HA 0.476 4.817 4.340 0.000 0.000 0.273 358 L C -0.322 176.710 176.870 0.271 0.000 1.000 358 L CA -0.986 53.973 54.840 0.198 0.000 0.819 358 L CB 1.810 43.990 42.059 0.202 0.000 1.284 358 L HN 0.294 nan 8.230 nan 0.000 0.418 359 F N 3.601 123.519 119.950 -0.053 0.000 2.388 359 F HA 0.552 5.079 4.527 0.000 0.000 0.358 359 F C -1.147 174.541 175.800 -0.187 0.000 1.122 359 F CA -1.102 56.902 58.000 0.007 0.000 1.056 359 F CB 0.639 39.685 39.000 0.076 0.000 1.155 359 F HN 0.080 nan 8.300 nan 0.000 0.461 360 F N 5.762 125.406 119.950 -0.511 0.000 2.426 360 F HA 0.491 5.018 4.527 0.001 0.000 0.348 360 F C -0.335 174.927 175.800 -0.896 0.000 1.124 360 F CA -1.076 56.531 58.000 -0.654 0.000 1.008 360 F CB 1.553 40.195 39.000 -0.598 0.000 1.139 360 F HN 0.063 nan 8.300 nan 0.000 0.452 361 V N 3.778 123.335 119.914 -0.596 0.000 2.385 361 V HA 0.123 4.244 4.120 0.000 0.000 0.269 361 V C 0.222 176.139 176.094 -0.295 0.000 1.043 361 V CA -0.826 61.215 62.300 -0.431 0.000 0.906 361 V CB 1.095 32.793 31.823 -0.209 0.000 0.995 361 V HN 0.785 nan 8.190 nan 0.000 0.467 362 N N 5.207 123.718 118.700 -0.314 0.000 2.555 362 N HA 0.174 4.914 4.740 0.000 0.000 0.244 362 N C 0.989 176.541 175.510 0.070 0.000 1.114 362 N CA -0.508 52.450 53.050 -0.154 0.000 0.963 362 N CB 0.507 38.893 38.487 -0.168 0.000 1.276 362 N HN 0.700 nan 8.380 nan 0.000 0.510 363 L N 1.961 123.281 121.223 0.161 0.000 2.349 363 L HA -0.157 4.183 4.340 0.000 0.000 0.220 363 L C 2.494 179.461 176.870 0.161 0.000 1.130 363 L CA 0.485 55.389 54.840 0.107 0.000 0.791 363 L CB -0.405 41.768 42.059 0.190 0.000 0.918 363 L HN 0.547 nan 8.230 nan 0.000 0.444 364 S N 0.224 116.103 115.700 0.298 0.000 2.368 364 S HA -0.235 4.235 4.470 0.000 0.000 0.225 364 S C 2.095 176.763 174.600 0.114 0.000 1.030 364 S CA 1.612 59.949 58.200 0.229 0.000 0.999 364 S CB 0.013 63.400 63.200 0.310 0.000 0.844 364 S HN 0.417 nan 8.310 nan 0.000 0.459 365 K N 0.355 120.825 120.400 0.116 0.000 2.103 365 K HA -0.035 4.285 4.320 0.000 0.000 0.204 365 K C 2.181 178.798 176.600 0.028 0.000 1.052 365 K CA 1.580 57.902 56.287 0.058 0.000 0.945 365 K CB -0.232 32.301 32.500 0.054 0.000 0.722 365 K HN 0.535 nan 8.250 nan 0.000 0.443 366 S N -0.966 114.735 115.700 0.001 0.000 2.439 366 S HA -0.054 4.416 4.470 0.000 0.000 0.224 366 S C 1.675 176.265 174.600 -0.017 0.000 1.029 366 S CA 0.914 59.100 58.200 -0.025 0.000 0.946 366 S CB 0.177 63.308 63.200 -0.115 0.000 0.797 366 S HN 0.416 nan 8.310 nan 0.000 0.504 367 T N -3.437 111.107 114.554 -0.016 0.000 3.111 367 T HA 0.547 4.897 4.350 0.000 0.000 0.284 367 T C 1.330 176.049 174.700 0.031 0.000 0.983 367 T CA 0.452 62.561 62.100 0.014 0.000 0.900 367 T CB 0.138 69.019 68.868 0.021 0.000 1.132 367 T HN 1.124 nan 8.240 nan 0.000 0.531 368 G N 1.132 109.954 108.800 0.036 0.000 2.168 368 G HA2 -0.217 3.744 3.960 0.000 0.000 0.257 368 G HA3 -0.217 3.744 3.960 0.000 0.000 0.257 368 G C -0.024 174.906 174.900 0.050 0.000 0.997 368 G CA 0.219 45.338 45.100 0.031 0.000 0.708 368 G HN 0.797 nan 8.290 nan 0.000 0.520 369 V N 0.296 120.269 119.914 0.099 0.000 2.435 369 V HA 0.705 4.826 4.120 0.000 0.000 0.290 369 V C 1.010 177.258 176.094 0.257 0.000 1.030 369 V CA -0.203 62.186 62.300 0.148 0.000 0.881 369 V CB 1.696 33.606 31.823 0.146 0.000 0.983 369 V HN 0.995 nan 8.190 nan 0.000 0.445 370 A N 3.959 126.934 122.820 0.258 0.000 2.863 370 A HA 0.472 4.792 4.320 0.000 0.000 0.246 370 A C 0.635 178.578 177.584 0.598 0.000 1.772 370 A CA 0.273 52.538 52.037 0.381 0.000 1.456 370 A CB -0.638 18.516 19.000 0.257 0.000 0.930 370 A HN 0.696 nan 8.150 nan 0.000 0.630 371 S N -0.624 115.429 115.700 0.589 0.000 2.651 371 S HA 0.832 5.302 4.470 0.000 0.000 0.279 371 S C -1.254 173.737 174.600 0.651 0.000 1.148 371 S CA -0.469 58.073 58.200 0.571 0.000 0.837 371 S CB 1.127 64.652 63.200 0.541 0.000 1.138 371 S HN 0.274 nan 8.310 nan 0.000 0.478 372 F N 1.865 122.015 119.950 0.332 0.000 2.529 372 F HA 0.524 5.052 4.527 0.000 0.000 0.320 372 F C -0.097 175.807 175.800 0.174 0.000 1.118 372 F CA -1.439 56.697 58.000 0.227 0.000 0.915 372 F CB 1.703 40.886 39.000 0.304 0.000 1.161 372 F HN 0.405 nan 8.300 nan 0.000 0.445 373 M N 6.239 125.975 119.600 0.226 0.000 2.066 373 M HA 0.431 4.911 4.480 0.000 0.000 0.340 373 M C -1.410 174.848 176.300 -0.068 0.000 1.053 373 M CA -0.165 55.175 55.300 0.067 0.000 0.983 373 M CB 1.049 33.695 32.600 0.077 0.000 1.520 373 M HN 0.670 nan 8.290 nan 0.000 0.428 374 M N 5.050 124.576 119.600 -0.123 0.000 2.238 374 M HA 0.439 4.919 4.480 0.000 0.000 0.350 374 M C -1.969 174.194 176.300 -0.229 0.000 1.138 374 M CA -0.798 54.259 55.300 -0.404 0.000 1.040 374 M CB 1.194 33.430 32.600 -0.606 0.000 1.639 374 M HN 0.676 nan 8.290 nan 0.000 0.451 375 L N 6.308 127.440 121.223 -0.152 0.000 2.317 375 L HA 0.619 4.959 4.340 0.000 0.000 0.281 375 L C -0.093 176.811 176.870 0.057 0.000 1.024 375 L CA -0.092 54.783 54.840 0.057 0.000 0.810 375 L CB 1.787 44.013 42.059 0.278 0.000 1.240 375 L HN 0.786 nan 8.230 nan 0.000 0.427 376 M N 1.785 121.433 119.600 0.081 0.000 2.727 376 M HA 0.778 5.258 4.480 0.000 0.000 0.300 376 M C -1.251 175.109 176.300 0.101 0.000 1.246 376 M CA -0.792 54.570 55.300 0.103 0.000 0.835 376 M CB 2.415 35.087 32.600 0.120 0.000 1.755 376 M HN 0.526 nan 8.290 nan 0.000 0.473 377 Q N 1.516 121.374 119.800 0.097 0.000 2.484 377 Q HA 0.782 5.122 4.340 0.000 0.000 0.285 377 Q C -1.425 174.606 176.000 0.050 0.000 1.097 377 Q CA -0.741 55.109 55.803 0.079 0.000 0.802 377 Q CB 1.794 30.593 28.738 0.102 0.000 1.444 377 Q HN 0.957 nan 8.270 nan 0.000 0.429 378 A N 2.085 124.927 122.820 0.036 0.000 2.498 378 A HA 0.373 4.694 4.320 0.000 0.000 0.239 378 A C -1.629 175.967 177.584 0.021 0.000 1.068 378 A CA -0.710 51.329 52.037 0.003 0.000 0.766 378 A CB -0.202 18.812 19.000 0.023 0.000 1.003 378 A HN 0.726 nan 8.150 nan 0.000 0.497 379 P HA -0.009 nan 4.420 nan 0.000 0.255 379 P C 1.329 178.448 177.300 -0.302 0.000 1.248 379 P CA 0.061 63.070 63.100 -0.151 0.000 0.807 379 P CB 0.204 31.843 31.700 -0.103 0.000 1.150 380 L N 0.357 121.520 121.223 -0.100 0.000 2.046 380 L HA -0.130 4.210 4.340 0.000 0.000 0.208 380 L C 1.926 178.742 176.870 -0.091 0.000 1.077 380 L CA 2.117 56.930 54.840 -0.045 0.000 0.747 380 L CB -1.284 40.826 42.059 0.086 0.000 0.896 380 L HN 0.020 nan 8.230 nan 0.000 0.432 381 T N 0.646 115.168 114.554 -0.054 0.000 2.592 381 T HA -0.267 4.083 4.350 0.000 0.000 0.267 381 T C 1.567 176.234 174.700 -0.055 0.000 1.060 381 T CA 2.130 64.216 62.100 -0.023 0.000 1.167 381 T CB -0.580 68.289 68.868 0.003 0.000 0.863 381 T HN 0.536 nan 8.240 nan 0.000 0.431 382 N N 0.635 119.263 118.700 -0.119 0.000 2.149 382 N HA -0.157 4.583 4.740 0.000 0.000 0.188 382 N C 1.739 177.231 175.510 -0.030 0.000 1.019 382 N CA 1.408 54.402 53.050 -0.093 0.000 0.857 382 N CB -0.454 37.954 38.487 -0.132 0.000 0.997 382 N HN 0.642 nan 8.380 nan 0.000 0.426 383 H N 0.581 119.625 119.070 -0.044 0.000 2.389 383 H HA 0.067 4.623 4.556 0.000 0.000 0.299 383 H C 2.001 177.253 175.328 -0.127 0.000 1.081 383 H CA 0.415 56.413 56.048 -0.084 0.000 1.345 383 H CB 0.278 29.980 29.762 -0.101 0.000 1.393 383 H HN 0.119 nan 8.280 nan 0.000 0.520 384 I N 1.137 121.695 120.570 -0.020 0.000 2.353 384 I HA -0.149 4.022 4.170 0.000 0.000 0.248 384 I C 1.836 177.932 176.117 -0.034 0.000 1.119 384 I CA 1.219 62.479 61.300 -0.067 0.000 1.417 384 I CB -0.753 37.241 38.000 -0.009 0.000 1.078 384 I HN 0.374 nan 8.210 nan 0.000 0.421 385 E N 0.496 120.680 120.200 -0.027 0.000 2.208 385 E HA -0.108 4.242 4.350 0.000 0.000 0.193 385 E C 2.248 178.823 176.600 -0.042 0.000 0.988 385 E CA 0.900 57.273 56.400 -0.045 0.000 0.828 385 E CB 0.027 29.699 29.700 -0.047 0.000 0.763 385 E HN 0.322 nan 8.360 nan 0.000 0.478 386 S N 1.232 116.920 115.700 -0.021 0.000 2.382 386 S HA -0.111 4.359 4.470 0.000 0.000 0.228 386 S C 1.838 176.421 174.600 -0.028 0.000 1.027 386 S CA 1.007 59.197 58.200 -0.016 0.000 0.991 386 S CB -0.158 63.049 63.200 0.013 0.000 0.823 386 S HN 0.389 nan 8.310 nan 0.000 0.469 387 I N 0.551 121.100 120.570 -0.035 0.000 3.856 387 I HA 0.317 4.488 4.170 0.000 0.000 0.333 387 I C 1.564 177.662 176.117 -0.032 0.000 1.525 387 I CA -0.423 60.856 61.300 -0.034 0.000 1.173 387 I CB -0.024 37.952 38.000 -0.040 0.000 1.175 387 I HN 0.081 nan 8.210 nan 0.000 0.424 388 R N 0.848 121.321 120.500 -0.044 0.000 2.127 388 R HA -0.118 4.222 4.340 0.000 0.000 0.238 388 R C 0.884 177.152 176.300 -0.054 0.000 1.134 388 R CA 1.426 57.491 56.100 -0.058 0.000 0.975 388 R CB -0.474 29.775 30.300 -0.084 0.000 0.865 388 R HN 0.445 nan 8.270 nan 0.000 0.447 389 E N 0.915 121.088 120.200 -0.045 0.000 2.435 389 E HA -0.045 4.306 4.350 0.000 0.000 0.195 389 E C -0.140 176.447 176.600 -0.022 0.000 1.029 389 E CA 0.349 56.726 56.400 -0.038 0.000 0.865 389 E CB -0.044 29.634 29.700 -0.035 0.000 0.833 389 E HN 0.308 nan 8.360 nan 0.000 0.510 390 D N 1.555 121.949 120.400 -0.010 0.000 2.563 390 D HA 0.018 4.658 4.640 0.000 0.000 0.222 390 D C 0.896 177.216 176.300 0.033 0.000 1.145 390 D CA -0.154 53.852 54.000 0.009 0.000 1.001 390 D CB 0.294 41.101 40.800 0.013 0.000 1.049 390 D HN -0.258 nan 8.370 nan 0.000 0.515 391 K N 1.368 121.781 120.400 0.021 0.000 2.044 391 K HA -0.175 4.145 4.320 0.000 0.000 0.210 391 K C 1.593 178.258 176.600 0.109 0.000 1.049 391 K CA 0.935 57.245 56.287 0.040 0.000 0.927 391 K CB 0.045 32.539 32.500 -0.010 0.000 0.713 391 K HN 0.506 nan 8.250 nan 0.000 0.443 392 E N 0.437 120.692 120.200 0.091 0.000 2.085 392 E HA -0.194 4.156 4.350 0.000 0.000 0.194 392 E C 2.265 178.984 176.600 0.198 0.000 0.994 392 E CA 0.933 57.418 56.400 0.141 0.000 0.801 392 E CB -0.051 29.702 29.700 0.087 0.000 0.743 392 E HN 0.257 nan 8.360 nan 0.000 0.453 393 R N 0.526 121.110 120.500 0.139 0.000 2.092 393 R HA -0.062 4.278 4.340 0.000 0.000 0.231 393 R C 2.584 178.996 176.300 0.188 0.000 1.119 393 R CA 0.564 56.744 56.100 0.134 0.000 0.970 393 R CB -0.115 30.231 30.300 0.075 0.000 0.864 393 R HN 0.127 nan 8.270 nan 0.000 0.440 394 L N -0.135 121.212 121.223 0.207 0.000 2.042 394 L HA -0.211 4.129 4.340 0.000 0.000 0.210 394 L C 2.315 179.480 176.870 0.490 0.000 1.076 394 L CA 1.268 56.300 54.840 0.321 0.000 0.749 394 L CB -0.521 41.690 42.059 0.253 0.000 0.893 394 L HN 0.209 nan 8.230 nan 0.000 0.432 395 F N 0.511 120.621 119.950 0.265 0.000 2.102 395 F HA -0.229 4.299 4.527 0.000 0.000 0.298 395 F C 2.656 178.591 175.800 0.225 0.000 1.105 395 F CA 1.774 59.932 58.000 0.263 0.000 1.239 395 F CB -0.367 38.719 39.000 0.143 0.000 0.991 395 F HN -0.079 nan 8.300 nan 0.000 0.474 396 S N 0.243 115.985 115.700 0.070 0.000 2.370 396 S HA -0.224 4.246 4.470 0.000 0.000 0.226 396 S C 1.884 176.431 174.600 -0.089 0.000 1.033 396 S CA 1.456 59.613 58.200 -0.071 0.000 1.011 396 S CB -0.896 62.339 63.200 0.059 0.000 0.852 396 S HN 0.511 nan 8.310 nan 0.000 0.457 397 F N 1.068 120.933 119.950 -0.142 0.000 2.102 397 F HA -0.072 4.456 4.527 0.000 0.000 0.298 397 F C 1.477 177.029 175.800 -0.414 0.000 1.105 397 F CA 1.473 59.295 58.000 -0.296 0.000 1.239 397 F CB -0.209 38.542 39.000 -0.414 0.000 0.991 397 F HN 0.170 nan 8.300 nan 0.000 0.474 398 F N -0.340 119.666 119.950 0.094 0.000 2.776 398 F HA 0.057 4.584 4.527 0.000 0.000 0.300 398 F C 2.334 177.976 175.800 -0.264 0.000 1.116 398 F CA 0.375 58.350 58.000 -0.042 0.000 1.375 398 F CB -0.710 38.405 39.000 0.192 0.000 1.109 398 F HN 0.011 nan 8.300 nan 0.000 0.585 399 Q N 1.675 121.320 119.800 -0.259 0.000 2.096 399 Q HA -0.211 4.129 4.340 0.000 0.000 0.208 399 Q C -0.650 175.219 176.000 -0.218 0.000 0.993 399 Q CA 2.187 57.739 55.803 -0.419 0.000 0.862 399 Q CB -1.066 27.265 28.738 -0.678 0.000 0.915 399 Q HN 0.199 nan 8.270 nan 0.000 0.416 400 P HA -0.135 nan 4.420 nan 0.000 0.216 400 P C 1.562 178.847 177.300 -0.025 0.000 1.153 400 P CA 1.982 65.064 63.100 -0.030 0.000 0.848 400 P CB -0.366 31.381 31.700 0.078 0.000 0.787 401 V N -2.913 116.827 119.914 -0.290 0.000 2.548 401 V HA -0.148 3.972 4.120 0.000 0.000 0.249 401 V C 2.600 178.526 176.094 -0.280 0.000 1.055 401 V CA 1.231 63.290 62.300 -0.401 0.000 1.065 401 V CB -1.916 29.559 31.823 -0.579 0.000 0.681 401 V HN -0.071 nan 8.190 nan 0.000 0.462 402 L N 0.618 121.696 121.223 -0.243 0.000 2.056 402 L HA -0.091 4.249 4.340 0.000 0.000 0.207 402 L C 2.750 179.534 176.870 -0.143 0.000 1.078 402 L CA 1.846 56.538 54.840 -0.248 0.000 0.749 402 L CB -0.756 41.186 42.059 -0.196 0.000 0.901 402 L HN 0.369 nan 8.230 nan 0.000 0.433 403 N N -0.025 118.632 118.700 -0.071 0.000 2.216 403 N HA -0.170 4.570 4.740 0.000 0.000 0.183 403 N C 1.796 177.309 175.510 0.005 0.000 1.017 403 N CA 0.898 53.940 53.050 -0.013 0.000 0.861 403 N CB -0.156 38.342 38.487 0.018 0.000 0.986 403 N HN 0.082 nan 8.380 nan 0.000 0.428 404 K N 1.485 121.914 120.400 0.048 0.000 2.103 404 K HA 0.065 4.385 4.320 0.000 0.000 0.207 404 K C 1.893 178.505 176.600 0.020 0.000 1.048 404 K CA 0.798 57.151 56.287 0.109 0.000 0.930 404 K CB -0.411 32.294 32.500 0.341 0.000 0.716 404 K HN 0.169 nan 8.250 nan 0.000 0.444 405 I N -0.088 120.427 120.570 -0.091 0.000 2.163 405 I HA -0.262 3.909 4.170 0.000 0.000 0.240 405 I C 2.083 178.129 176.117 -0.119 0.000 1.081 405 I CA 0.957 62.152 61.300 -0.176 0.000 1.353 405 I CB -0.234 37.530 38.000 -0.394 0.000 1.054 405 I HN 0.152 nan 8.210 nan 0.000 0.407 406 M N 0.430 119.965 119.600 -0.108 0.000 2.149 406 M HA -0.233 4.248 4.480 0.000 0.000 0.261 406 M C 2.252 178.554 176.300 0.003 0.000 1.064 406 M CA 1.641 56.906 55.300 -0.057 0.000 1.102 406 M CB -1.198 31.369 32.600 -0.056 0.000 1.369 406 M HN 0.211 nan 8.290 nan 0.000 0.408 407 K N 0.022 120.426 120.400 0.006 0.000 1.991 407 K HA -0.168 4.152 4.320 0.000 0.000 0.212 407 K C 2.062 178.677 176.600 0.024 0.000 1.049 407 K CA 1.934 58.235 56.287 0.023 0.000 0.932 407 K CB -0.107 32.410 32.500 0.028 0.000 0.717 407 K HN 0.333 nan 8.250 nan 0.000 0.441 408 C N 0.905 120.214 119.300 0.015 0.000 2.410 408 C HA -0.052 4.408 4.460 0.000 0.000 0.281 408 C C 1.822 176.826 174.990 0.023 0.000 1.318 408 C CA 0.428 59.457 59.018 0.018 0.000 1.776 408 C CB -0.751 26.995 27.740 0.011 0.000 1.942 408 C HN 0.443 nan 8.230 nan 0.000 0.508 409 L N 0.680 121.920 121.223 0.027 0.000 2.851 409 L HA 0.156 4.496 4.340 0.000 0.000 0.237 409 L C -0.028 176.900 176.870 0.097 0.000 1.257 409 L CA 0.168 55.051 54.840 0.072 0.000 1.061 409 L CB -0.655 41.464 42.059 0.100 0.000 1.372 409 L HN 0.308 nan 8.230 nan 0.000 0.493 410 D N 0.410 120.848 120.400 0.063 0.000 2.686 410 D HA -0.188 4.452 4.640 0.000 0.000 0.235 410 D C 0.399 176.739 176.300 0.066 0.000 1.160 410 D CA 0.985 55.018 54.000 0.056 0.000 0.645 410 D CB -0.418 40.411 40.800 0.047 0.000 1.039 410 D HN 0.437 nan 8.370 nan 0.000 0.423 411 S N -1.176 114.568 115.700 0.074 0.000 2.874 411 S HA 0.517 4.987 4.470 0.000 0.000 0.318 411 S C -0.514 174.121 174.600 0.058 0.000 1.109 411 S CA -0.629 57.619 58.200 0.080 0.000 0.878 411 S CB 2.074 65.355 63.200 0.135 0.000 1.307 411 S HN 0.055 nan 8.310 nan 0.000 0.592 412 E N 1.185 121.422 120.200 0.062 0.000 2.281 412 E HA 0.385 4.736 4.350 0.000 0.000 0.257 412 E C -1.218 175.418 176.600 0.061 0.000 0.971 412 E CA -0.685 55.749 56.400 0.056 0.000 0.839 412 E CB 0.364 30.099 29.700 0.058 0.000 1.238 412 E HN 0.563 nan 8.360 nan 0.000 0.412 413 D N 0.518 120.957 120.400 0.065 0.000 2.414 413 D HA 0.077 4.718 4.640 0.000 0.000 0.242 413 D C -0.005 176.367 176.300 0.120 0.000 1.129 413 D CA -0.037 54.010 54.000 0.078 0.000 0.885 413 D CB 0.763 41.609 40.800 0.076 0.000 1.198 413 D HN -0.014 nan 8.370 nan 0.000 0.437 414 V N 2.844 122.856 119.914 0.163 0.000 2.763 414 V HA 0.027 4.147 4.120 0.000 0.000 0.306 414 V C 0.893 177.146 176.094 0.266 0.000 1.059 414 V CA 0.068 62.524 62.300 0.260 0.000 1.138 414 V CB 0.378 32.430 31.823 0.382 0.000 0.940 414 V HN 0.327 nan 8.190 nan 0.000 0.489 415 I N 3.153 123.834 120.570 0.185 0.000 2.412 415 I HA 0.292 4.462 4.170 0.000 0.000 0.296 415 I C -0.084 175.982 176.117 -0.084 0.000 0.987 415 I CA -0.506 60.842 61.300 0.080 0.000 1.180 415 I CB 1.738 39.770 38.000 0.053 0.000 1.340 415 I HN 0.579 nan 8.210 nan 0.000 0.455 416 D N 5.216 125.462 120.400 -0.258 0.000 2.365 416 D HA 0.219 4.859 4.640 0.000 0.000 0.237 416 D C 0.504 176.622 176.300 -0.303 0.000 1.190 416 D CA -0.085 53.579 54.000 -0.560 0.000 0.867 416 D CB 1.295 41.622 40.800 -0.788 0.000 1.050 416 D HN 0.732 nan 8.370 nan 0.000 0.491 417 G N 3.419 112.056 108.800 -0.271 0.000 3.993 417 G HA2 0.055 4.015 3.960 0.000 0.000 0.294 417 G HA3 0.055 4.015 3.960 0.000 0.000 0.294 417 G C 1.241 176.015 174.900 -0.211 0.000 1.043 417 G CA -0.230 44.757 45.100 -0.188 0.000 0.839 417 G HN 0.476 nan 8.290 nan 0.000 0.516 418 M N -0.145 119.307 119.600 -0.247 0.000 2.460 418 M HA 0.138 4.618 4.480 0.000 0.000 0.263 418 M C 1.225 177.436 176.300 -0.148 0.000 1.071 418 M CA 0.885 56.054 55.300 -0.219 0.000 1.096 418 M CB 0.060 32.532 32.600 -0.213 0.000 1.408 418 M HN 0.026 nan 8.290 nan 0.000 0.463 419 R N 0.685 121.111 120.500 -0.123 0.000 2.643 419 R HA 0.248 4.589 4.340 0.000 0.000 0.272 419 R C -2.043 174.222 176.300 -0.060 0.000 0.995 419 R CA -1.652 54.401 56.100 -0.078 0.000 1.032 419 R CB -0.143 30.118 30.300 -0.065 0.000 1.126 419 R HN -0.123 nan 8.270 nan 0.000 0.505 420 P HA 0.044 nan 4.420 nan 0.000 0.235 420 P C -0.751 176.538 177.300 -0.018 0.000 1.720 420 P CA 0.635 63.724 63.100 -0.018 0.000 1.003 420 P CB 0.058 31.753 31.700 -0.008 0.000 1.968 421 I N 0.624 121.179 120.570 -0.026 0.000 2.917 421 I HA 0.230 4.400 4.170 0.000 0.000 0.292 421 I C 0.510 176.614 176.117 -0.021 0.000 1.510 421 I CA -0.786 60.501 61.300 -0.021 0.000 0.858 421 I CB 0.682 38.666 38.000 -0.026 0.000 1.862 421 I HN 0.193 nan 8.210 nan 0.000 0.615 422 E N 3.302 123.496 120.200 -0.010 0.000 2.349 422 E HA 0.226 4.576 4.350 0.000 0.000 0.265 422 E C -0.707 175.895 176.600 0.002 0.000 1.064 422 E CA -0.142 56.256 56.400 -0.003 0.000 0.886 422 E CB 1.642 31.350 29.700 0.013 0.000 1.036 422 E HN 0.467 nan 8.360 nan 0.000 0.413 423 N N 1.999 120.703 118.700 0.006 0.000 2.381 423 N HA 0.335 5.075 4.740 0.000 0.000 0.294 423 N C 0.260 175.778 175.510 0.014 0.000 1.216 423 N CA 0.206 53.261 53.050 0.009 0.000 0.803 423 N CB 1.694 40.186 38.487 0.008 0.000 1.372 423 N HN 0.422 nan 8.380 nan 0.000 0.500 424 I N -0.109 120.469 120.570 0.013 0.000 3.265 424 I HA 0.345 4.515 4.170 0.000 0.000 0.282 424 I C 1.741 177.867 176.117 0.015 0.000 1.207 424 I CA 1.176 62.484 61.300 0.014 0.000 1.449 424 I CB -1.172 nan 38.000 nan 0.000 1.121 424 I HN 0.662 nan 8.210 nan 0.000 0.442 425 A N 0.682 123.511 122.820 0.015 0.000 2.310 425 A HA 0.215 4.536 4.320 0.000 0.000 0.230 425 A C 0.641 178.237 177.584 0.020 0.000 1.294 425 A CA 0.195 52.242 52.037 0.016 0.000 0.898 425 A CB -0.824 18.185 19.000 0.015 0.000 0.917 425 A HN 0.651 nan 8.150 nan 0.000 0.491 426 N N 0.149 118.863 118.700 0.023 0.000 2.735 426 N HA 0.357 5.097 4.740 0.000 0.000 0.312 426 N C 0.537 176.066 175.510 0.032 0.000 1.843 426 N CA 0.573 53.641 53.050 0.030 0.000 0.945 426 N CB 1.251 39.758 38.487 0.033 0.000 1.299 426 N HN 0.340 nan 8.380 nan 0.000 0.489 427 A N -0.540 122.294 122.820 0.024 0.000 2.252 427 A HA 0.114 4.435 4.320 0.000 0.000 0.213 427 A C 1.745 179.338 177.584 0.014 0.000 1.188 427 A CA 0.861 52.909 52.037 0.018 0.000 0.863 427 A CB -0.273 nan 19.000 nan 0.000 0.893 427 A HN 0.455 nan 8.150 nan 0.000 0.495 428 N N 0.238 118.949 118.700 0.019 0.000 2.250 428 N HA 0.140 4.880 4.740 0.000 0.000 0.190 428 N C 0.514 176.044 175.510 0.033 0.000 1.116 428 N CA 0.020 53.080 53.050 0.017 0.000 0.881 428 N CB 0.110 38.606 38.487 0.015 0.000 1.006 428 N HN 0.225 nan 8.380 nan 0.000 0.491 429 K N 1.606 122.035 120.400 0.048 0.000 2.138 429 K HA 0.418 4.738 4.320 0.000 0.000 0.263 429 K C -2.863 173.797 176.600 0.101 0.000 0.965 429 K CA -2.336 53.993 56.287 0.071 0.000 0.868 429 K CB 1.856 34.398 32.500 0.070 0.000 1.083 429 K HN 0.166 nan 8.250 nan 0.000 0.443 430 P HA 0.106 nan 4.420 nan 0.000 0.276 430 P C -0.466 177.008 177.300 0.290 0.000 1.235 430 P CA -0.360 62.871 63.100 0.219 0.000 0.772 430 P CB 0.672 32.466 31.700 0.157 0.000 0.871 431 V N 5.536 125.637 119.914 0.312 0.000 2.334 431 V HA 0.110 4.230 4.120 0.000 0.000 0.281 431 V C 0.540 176.700 176.094 0.111 0.000 1.016 431 V CA -0.862 61.546 62.300 0.179 0.000 0.832 431 V CB 1.115 32.987 31.823 0.082 0.000 0.999 431 V HN 0.440 nan 8.190 nan 0.000 0.439 432 L N 7.172 128.349 121.223 -0.076 0.000 2.418 432 L HA 0.342 4.683 4.340 0.000 0.000 0.274 432 L C 1.295 177.945 176.870 -0.368 0.000 1.135 432 L CA 0.760 55.336 54.840 -0.440 0.000 0.870 432 L CB 0.363 42.186 42.059 -0.394 0.000 1.154 432 L HN 0.480 nan 8.230 nan 0.000 0.462 433 R N 3.374 123.609 120.500 -0.441 0.000 2.254 433 R HA 0.289 4.629 4.340 0.000 0.000 0.193 433 R C 0.111 176.128 176.300 -0.471 0.000 0.929 433 R CA 0.178 55.953 56.100 -0.540 0.000 1.038 433 R CB -0.415 29.250 30.300 -1.059 0.000 1.009 433 R HN 0.829 nan 8.270 nan 0.000 0.512 434 N N -0.357 118.111 118.700 -0.386 0.000 3.043 434 N HA 0.282 5.022 4.740 0.000 0.000 0.243 434 N C -1.675 173.677 175.510 -0.264 0.000 1.347 434 N CA -0.473 52.414 53.050 -0.272 0.000 0.896 434 N CB 1.613 39.974 38.487 -0.210 0.000 1.501 434 N HN -0.188 nan 8.380 nan 0.000 0.504 435 I N 2.448 122.871 120.570 -0.245 0.000 2.533 435 I HA 0.482 4.653 4.170 0.000 0.000 0.290 435 I C -0.781 175.147 176.117 -0.315 0.000 1.056 435 I CA -0.658 60.428 61.300 -0.356 0.000 1.057 435 I CB 2.106 39.918 38.000 -0.312 0.000 1.240 435 I HN 0.380 nan 8.210 nan 0.000 0.423 436 I N 6.282 126.614 120.570 -0.395 0.000 2.436 436 I HA 0.518 4.689 4.170 0.000 0.000 0.289 436 I C -0.730 175.201 176.117 -0.311 0.000 1.010 436 I CA -0.874 60.248 61.300 -0.296 0.000 1.098 436 I CB 2.146 39.984 38.000 -0.270 0.000 1.266 436 I HN 0.153 nan 8.210 nan 0.000 0.434 437 V N 3.927 123.703 119.914 -0.231 0.000 2.769 437 V HA 0.458 4.578 4.120 0.000 0.000 0.312 437 V C 0.327 176.310 176.094 -0.186 0.000 1.061 437 V CA -0.687 61.492 62.300 -0.203 0.000 0.931 437 V CB 1.965 33.692 31.823 -0.160 0.000 1.010 437 V HN 0.909 nan 8.190 nan 0.000 0.433 438 S N 1.576 117.176 115.700 -0.166 0.000 2.633 438 S HA 0.258 4.728 4.470 0.000 0.000 0.257 438 S C 0.344 174.752 174.600 -0.320 0.000 1.265 438 S CA -0.167 57.872 58.200 -0.268 0.000 0.980 438 S CB 0.539 63.669 63.200 -0.116 0.000 1.017 438 S HN 0.897 nan 8.310 nan 0.000 0.577 439 N N -1.618 116.754 118.700 -0.546 0.000 2.361 439 N HA 0.121 4.862 4.740 0.000 0.000 0.253 439 N C -0.180 175.133 175.510 -0.328 0.000 1.413 439 N CA -0.196 52.636 53.050 -0.363 0.000 0.821 439 N CB 0.202 38.489 38.487 -0.333 0.000 1.380 439 N HN 0.751 nan 8.380 nan 0.000 0.493 440 W N 0.861 122.152 121.300 -0.014 0.000 2.358 440 W HA -0.150 4.510 4.660 0.000 0.000 0.303 440 W C 2.738 179.246 176.519 -0.019 0.000 1.208 440 W CA 1.721 59.061 57.345 -0.008 0.000 1.274 440 W CB -0.431 29.027 29.460 -0.003 0.000 1.138 440 W HN 0.172 nan 8.180 nan 0.000 0.515 441 T N -0.816 113.835 114.554 0.162 0.000 2.821 441 T HA -0.138 4.213 4.350 0.000 0.000 0.267 441 T C 1.559 176.280 174.700 0.034 0.000 1.046 441 T CA 1.087 63.236 62.100 0.081 0.000 1.139 441 T CB -0.361 68.530 68.868 0.038 0.000 0.871 441 T HN 0.185 nan 8.240 nan 0.000 0.454 442 R N 1.209 121.708 120.500 -0.001 0.000 2.317 442 R HA 0.240 4.581 4.340 0.000 0.000 0.208 442 R C 0.192 176.461 176.300 -0.052 0.000 0.914 442 R CA 0.001 56.082 56.100 -0.032 0.000 1.060 442 R CB 0.093 30.364 30.300 -0.048 0.000 1.015 442 R HN 0.407 nan 8.270 nan 0.000 0.498 443 D N 1.704 122.087 120.400 -0.029 0.000 2.280 443 D HA 0.063 4.703 4.640 0.000 0.000 0.243 443 D C -1.436 174.829 176.300 -0.058 0.000 1.129 443 D CA -2.414 51.562 54.000 -0.040 0.000 0.848 443 D CB 1.680 42.498 40.800 0.028 0.000 1.107 443 D HN -0.083 nan 8.370 nan 0.000 0.471 444 P HA -0.168 nan 4.420 nan 0.000 0.219 444 P C 0.830 177.980 177.300 -0.251 0.000 1.146 444 P CA 1.115 64.036 63.100 -0.299 0.000 0.808 444 P CB -0.037 31.362 31.700 -0.502 0.000 0.779 445 Y N 0.124 120.464 120.300 0.067 0.000 2.490 445 Y HA 0.034 4.584 4.550 0.000 0.000 0.281 445 Y C 2.392 178.358 175.900 0.110 0.000 1.174 445 Y CA 0.563 58.711 58.100 0.081 0.000 1.295 445 Y CB -0.060 38.450 38.460 0.083 0.000 1.062 445 Y HN 0.163 nan 8.280 nan 0.000 0.522 446 S N -1.016 114.822 115.700 0.230 0.000 2.818 446 S HA 0.119 4.589 4.470 0.000 0.000 0.251 446 S C 0.715 175.394 174.600 0.132 0.000 1.083 446 S CA -0.488 57.842 58.200 0.217 0.000 0.871 446 S CB 0.033 63.477 63.200 0.406 0.000 0.831 446 S HN 0.240 nan 8.310 nan 0.000 0.470 447 R N 2.266 122.831 120.500 0.109 0.000 3.109 447 R HA -0.004 4.336 4.340 0.000 0.000 0.241 447 R C 0.589 176.923 176.300 0.056 0.000 0.882 447 R CA 0.599 56.736 56.100 0.062 0.000 0.604 447 R CB -2.189 28.130 30.300 0.031 0.000 1.040 447 R HN 1.101 nan 8.270 nan 0.000 0.480 448 G N -2.344 106.510 108.800 0.091 0.000 2.371 448 G HA2 0.205 4.166 3.960 0.000 0.000 0.663 448 G HA3 0.205 4.166 3.960 0.000 0.000 0.663 448 G C 0.221 175.121 174.900 -0.000 0.000 1.311 448 G CA -0.224 44.898 45.100 0.037 0.000 0.985 448 G HN 0.332 nan 8.290 nan 0.000 0.566 449 A N -0.660 122.077 122.820 -0.138 0.000 1.844 449 A HA 0.703 5.024 4.320 0.000 0.000 0.212 449 A C 0.765 178.251 177.584 -0.163 0.000 1.221 449 A CA 2.563 54.447 52.037 -0.255 0.000 0.607 449 A CB -0.348 nan 19.000 nan 0.000 0.878 449 A HN 2.303 nan 8.150 nan 0.000 0.451 450 Y N -4.268 115.980 120.300 -0.087 0.000 2.814 450 Y HA 0.523 5.073 4.550 0.000 0.000 0.348 450 Y C -0.180 175.679 175.900 -0.068 0.000 1.245 450 Y CA -1.068 56.978 58.100 -0.089 0.000 1.086 450 Y CB -0.083 38.319 38.460 -0.097 0.000 1.373 450 Y HN -0.072 nan 8.280 nan 0.000 0.451 451 S N 0.758 116.554 115.700 0.159 0.000 2.561 451 S HA 0.485 4.956 4.470 0.000 0.000 0.294 451 S C -0.056 174.594 174.600 0.083 0.000 1.294 451 S CA 0.678 58.913 58.200 0.059 0.000 1.055 451 S CB 0.176 63.419 63.200 0.071 0.000 0.819 451 S HN 1.181 nan 8.310 nan 0.000 0.503 452 A N 1.582 124.371 122.820 -0.052 0.000 2.612 452 A HA 0.604 4.924 4.320 0.000 0.000 0.293 452 A C -1.135 176.351 177.584 -0.164 0.000 1.075 452 A CA -0.706 51.310 52.037 -0.034 0.000 0.680 452 A CB 0.968 19.937 19.000 -0.052 0.000 1.279 452 A HN 0.785 nan 8.150 nan 0.000 0.411 453 C N 1.181 120.422 119.300 -0.099 0.000 2.281 453 C HA 0.619 5.079 4.460 0.000 0.000 0.325 453 C C -0.032 174.982 174.990 0.039 0.000 1.282 453 C CA -0.358 58.596 59.018 -0.106 0.000 1.640 453 C CB -1.193 26.507 27.740 -0.067 0.000 2.288 453 C HN 0.606 nan 8.230 nan 0.000 0.507 454 F N 4.668 124.608 119.950 -0.016 0.000 2.371 454 F HA 0.319 4.846 4.527 0.000 0.000 0.329 454 F C -1.430 174.370 175.800 -0.000 0.000 1.107 454 F CA -2.441 55.558 58.000 -0.002 0.000 1.137 454 F CB 1.002 40.009 39.000 0.011 0.000 1.214 454 F HN 0.347 nan 8.300 nan 0.000 0.536 455 P HA -0.029 nan 4.420 nan 0.000 0.261 455 P C 0.532 177.905 177.300 0.121 0.000 1.173 455 P CA 1.115 64.292 63.100 0.129 0.000 0.760 455 P CB 0.590 32.357 31.700 0.113 0.000 0.783 456 G N 2.187 111.041 108.800 0.090 0.000 2.234 456 G HA2 -0.172 3.789 3.960 0.000 0.000 0.235 456 G HA3 -0.172 3.789 3.960 0.000 0.000 0.235 456 G C 0.013 174.947 174.900 0.058 0.000 0.997 456 G CA -0.177 44.969 45.100 0.077 0.000 0.623 456 G HN 0.512 nan 8.290 nan 0.000 0.514 457 D N 0.928 121.360 120.400 0.052 0.000 2.361 457 D HA 0.500 5.140 4.640 0.000 0.000 0.239 457 D C -0.297 175.998 176.300 -0.008 0.000 1.200 457 D CA 0.424 54.431 54.000 0.012 0.000 0.915 457 D CB 0.961 41.746 40.800 -0.026 0.000 1.170 457 D HN 0.199 nan 8.370 nan 0.000 0.444 458 D N 0.214 120.599 120.400 -0.025 0.000 2.375 458 D HA 0.127 4.768 4.640 0.000 0.000 0.241 458 D C -1.983 174.288 176.300 -0.049 0.000 1.361 458 D CA -1.477 52.507 54.000 -0.028 0.000 0.995 458 D CB 1.941 42.732 40.800 -0.015 0.000 1.312 458 D HN -0.018 nan 8.370 nan 0.000 0.576 459 P HA -0.114 nan 4.420 nan 0.000 0.217 459 P C 1.835 179.097 177.300 -0.063 0.000 1.150 459 P CA 0.809 63.873 63.100 -0.061 0.000 0.832 459 P CB 0.293 31.968 31.700 -0.042 0.000 0.787 460 V N 1.893 121.780 119.914 -0.045 0.000 2.277 460 V HA -0.317 3.803 4.120 0.000 0.000 0.253 460 V C 2.294 178.353 176.094 -0.058 0.000 1.067 460 V CA 3.002 65.277 62.300 -0.042 0.000 1.047 460 V CB -1.403 30.405 31.823 -0.025 0.000 0.649 460 V HN 0.028 nan 8.190 nan 0.000 0.447 461 D N -0.775 119.586 120.400 -0.064 0.000 2.092 461 D HA -0.218 4.422 4.640 0.000 0.000 0.193 461 D C 2.112 178.339 176.300 -0.121 0.000 0.994 461 D CA 2.212 56.164 54.000 -0.079 0.000 0.828 461 D CB -0.020 40.737 40.800 -0.072 0.000 0.963 461 D HN 0.633 nan 8.370 nan 0.000 0.450 462 M N 0.910 120.414 119.600 -0.160 0.000 2.159 462 M HA -0.115 4.365 4.480 0.000 0.000 0.263 462 M C 1.973 178.159 176.300 -0.190 0.000 1.063 462 M CA 1.037 56.196 55.300 -0.234 0.000 1.110 462 M CB -0.303 32.128 32.600 -0.281 0.000 1.374 462 M HN -0.181 nan 8.290 nan 0.000 0.411 463 V N -0.845 118.989 119.914 -0.133 0.000 2.255 463 V HA -0.268 3.852 4.120 0.000 0.000 0.247 463 V C 2.346 178.382 176.094 -0.097 0.000 1.051 463 V CA 1.923 64.157 62.300 -0.110 0.000 1.018 463 V CB -1.029 30.750 31.823 -0.073 0.000 0.641 463 V HN 0.400 nan 8.190 nan 0.000 0.445 464 V N 0.305 120.171 119.914 -0.081 0.000 2.307 464 V HA -0.228 3.892 4.120 0.000 0.000 0.245 464 V C 2.724 178.776 176.094 -0.070 0.000 1.045 464 V CA 1.919 64.182 62.300 -0.061 0.000 1.024 464 V CB -1.286 30.509 31.823 -0.046 0.000 0.651 464 V HN 0.546 nan 8.190 nan 0.000 0.449 465 A N -0.194 122.564 122.820 -0.103 0.000 1.883 465 A HA -0.233 4.087 4.320 0.000 0.000 0.217 465 A C 2.259 179.756 177.584 -0.145 0.000 1.186 465 A CA 2.247 54.212 52.037 -0.120 0.000 0.624 465 A CB -0.470 18.430 19.000 -0.167 0.000 0.822 465 A HN 0.414 nan 8.150 nan 0.000 0.444 466 M N -0.898 118.576 119.600 -0.210 0.000 2.123 466 M HA -0.063 4.417 4.480 0.000 0.000 0.263 466 M C 2.489 178.779 176.300 -0.015 0.000 1.069 466 M CA 1.713 56.876 55.300 -0.229 0.000 1.133 466 M CB -1.500 30.921 32.600 -0.298 0.000 1.356 466 M HN 0.478 nan 8.290 nan 0.000 0.415 467 S N 0.884 116.558 115.700 -0.044 0.000 2.370 467 S HA -0.181 4.290 4.470 0.000 0.000 0.226 467 S C 1.950 176.562 174.600 0.020 0.000 1.033 467 S CA 1.929 60.123 58.200 -0.010 0.000 1.011 467 S CB -0.695 62.488 63.200 -0.029 0.000 0.852 467 S HN 0.687 nan 8.310 nan 0.000 0.457 468 N N -0.018 118.690 118.700 0.014 0.000 2.309 468 N HA 0.322 5.062 4.740 0.000 0.000 0.182 468 N C 1.190 176.739 175.510 0.065 0.000 1.018 468 N CA 1.310 54.375 53.050 0.026 0.000 0.876 468 N CB -1.059 37.432 38.487 0.008 0.000 0.972 468 N HN 1.026 nan 8.380 nan 0.000 0.434 469 G N -1.423 107.456 108.800 0.132 0.000 2.781 469 G HA2 -0.133 3.827 3.960 0.000 0.000 0.683 469 G HA3 -0.133 3.827 3.960 0.000 0.000 0.683 469 G C 0.211 175.225 174.900 0.190 0.000 1.390 469 G CA 0.482 45.720 45.100 0.231 0.000 0.850 469 G HN 0.719 nan 8.290 nan 0.000 0.557 470 Q N 0.155 120.079 119.800 0.208 0.000 2.311 470 Q HA 0.307 4.647 4.340 0.000 0.000 0.203 470 Q C 0.827 176.843 176.000 0.026 0.000 0.954 470 Q CA 2.446 58.307 55.803 0.097 0.000 0.885 470 Q CB 0.051 28.787 28.738 -0.004 0.000 0.963 470 Q HN 1.216 nan 8.270 nan 0.000 0.471 471 D N -5.490 114.922 120.400 0.020 0.000 3.064 471 D HA 0.139 4.779 4.640 0.000 0.000 0.288 471 D C 0.002 176.314 176.300 0.021 0.000 1.140 471 D CA 0.092 54.099 54.000 0.012 0.000 0.725 471 D CB -0.423 40.373 40.800 -0.007 0.000 1.295 471 D HN -0.097 nan 8.370 nan 0.000 0.448 472 S N -0.851 114.869 115.700 0.034 0.000 2.484 472 S HA -0.219 4.251 4.470 0.000 0.000 0.250 472 S C 1.580 176.265 174.600 0.141 0.000 0.995 472 S CA 1.408 59.660 58.200 0.087 0.000 0.967 472 S CB -0.517 nan 63.200 nan 0.000 0.752 472 S HN 0.418 nan 8.310 nan 0.000 0.517 473 R N -0.569 119.939 120.500 0.013 0.000 2.225 473 R HA 0.292 4.632 4.340 0.000 0.000 0.194 473 R C -0.099 176.181 176.300 -0.034 0.000 0.949 473 R CA 0.182 56.239 56.100 -0.073 0.000 1.088 473 R CB 0.056 30.220 30.300 -0.228 0.000 1.106 473 R HN 0.376 nan 8.270 nan 0.000 0.566 474 I N 3.950 124.476 120.570 -0.074 0.000 2.282 474 I HA 0.233 4.403 4.170 0.000 0.000 0.290 474 I C 0.156 176.108 176.117 -0.275 0.000 1.090 474 I CA -0.359 60.842 61.300 -0.166 0.000 1.231 474 I CB 0.224 38.120 38.000 -0.173 0.000 1.434 474 I HN -0.193 nan 8.210 nan 0.000 0.487 475 R N 5.175 125.504 120.500 -0.284 0.000 2.691 475 R HA 0.698 5.039 4.340 0.000 0.000 0.259 475 R C -0.863 175.132 176.300 -0.508 0.000 1.048 475 R CA -0.742 55.201 56.100 -0.261 0.000 1.086 475 R CB 1.219 31.470 30.300 -0.080 0.000 1.166 475 R HN 0.179 nan 8.270 nan 0.000 0.526 476 F N -0.824 119.119 119.950 -0.013 0.000 2.576 476 F HA 0.720 5.247 4.527 0.000 0.000 0.313 476 F C -0.003 175.757 175.800 -0.067 0.000 1.078 476 F CA -0.789 57.199 58.000 -0.019 0.000 0.921 476 F CB 2.332 41.312 39.000 -0.032 0.000 1.232 476 F HN 0.589 nan 8.300 nan 0.000 0.459 477 A N 1.166 124.060 122.820 0.123 0.000 2.594 477 A HA 0.970 5.291 4.320 0.000 0.000 0.291 477 A C -0.515 177.057 177.584 -0.021 0.000 1.105 477 A CA -0.315 51.727 52.037 0.009 0.000 0.694 477 A CB 1.786 20.791 19.000 0.008 0.000 1.291 477 A HN 1.696 nan 8.150 nan 0.000 0.410 478 G N 0.091 108.855 108.800 -0.060 0.000 2.335 478 G HA2 0.460 4.421 3.960 0.000 0.000 0.592 478 G HA3 0.460 4.421 3.960 0.000 0.000 0.592 478 G C -0.081 174.798 174.900 -0.035 0.000 1.442 478 G CA 0.462 45.573 45.100 0.019 0.000 0.976 478 G HN 1.852 nan 8.290 nan 0.000 0.652 479 E N -0.177 120.092 120.200 0.115 0.000 2.448 479 E HA -0.202 4.148 4.350 0.000 0.000 0.203 479 E C 1.359 178.003 176.600 0.074 0.000 1.046 479 E CA 2.351 58.782 56.400 0.053 0.000 0.871 479 E CB -0.329 29.387 29.700 0.026 0.000 0.790 479 E HN 0.877 nan 8.360 nan 0.000 0.545 480 H N -1.168 117.884 119.070 -0.029 0.000 2.755 480 H HA 0.258 4.815 4.556 0.000 0.000 0.273 480 H C 0.569 175.854 175.328 -0.073 0.000 1.055 480 H CA 0.683 56.698 56.048 -0.056 0.000 1.191 480 H CB -0.239 29.487 29.762 -0.060 0.000 1.536 480 H HN 0.252 nan 8.280 nan 0.000 0.529 481 T N -1.474 112.831 114.554 -0.416 0.000 3.174 481 T HA 0.427 4.777 4.350 0.000 0.000 0.269 481 T C 0.296 174.906 174.700 -0.149 0.000 1.017 481 T CA -0.346 61.570 62.100 -0.307 0.000 0.899 481 T CB -0.253 68.429 68.868 -0.311 0.000 1.077 481 T HN 0.298 nan 8.240 nan 0.000 0.552 482 I N -0.351 120.152 120.570 -0.112 0.000 3.006 482 I HA 0.478 4.648 4.170 0.000 0.000 0.306 482 I C 0.256 176.343 176.117 -0.050 0.000 1.250 482 I CA -1.260 60.002 61.300 -0.063 0.000 0.996 482 I CB 2.411 40.384 38.000 -0.045 0.000 1.261 482 I HN -0.001 nan 8.210 nan 0.000 0.442 483 M N 1.430 121.015 119.600 -0.024 0.000 2.384 483 M HA 0.137 4.617 4.480 0.000 0.000 0.258 483 M C -0.355 175.946 176.300 0.002 0.000 1.130 483 M CA 0.636 55.929 55.300 -0.012 0.000 1.187 483 M CB 0.275 32.876 32.600 0.001 0.000 1.307 483 M HN 0.465 nan 8.290 nan 0.000 0.468 484 D N 0.708 121.129 120.400 0.036 0.000 2.371 484 D HA 0.300 4.940 4.640 0.000 0.000 0.256 484 D C 0.680 176.993 176.300 0.021 0.000 1.193 484 D CA 1.042 55.097 54.000 0.091 0.000 0.881 484 D CB 0.654 41.553 40.800 0.163 0.000 1.143 484 D HN 0.638 nan 8.370 nan 0.000 0.473 485 G N 1.859 110.615 108.800 -0.073 0.000 2.143 485 G HA2 -0.185 3.775 3.960 0.000 0.000 0.248 485 G HA3 -0.185 3.775 3.960 0.000 0.000 0.248 485 G C 0.546 175.205 174.900 -0.403 0.000 0.991 485 G CA 0.036 44.766 45.100 -0.616 0.000 0.689 485 G HN 0.843 nan 8.290 nan 0.000 0.522 486 A N -0.281 122.427 122.820 -0.188 0.000 2.567 486 A HA 0.583 4.903 4.320 0.000 0.000 0.240 486 A C 2.159 179.651 177.584 -0.154 0.000 1.053 486 A CA 1.955 53.915 52.037 -0.127 0.000 0.755 486 A CB -0.190 18.772 19.000 -0.063 0.000 0.978 486 A HN 2.417 nan 8.150 nan 0.000 0.507 487 G N 0.674 109.404 108.800 -0.116 0.000 2.175 487 G HA2 -0.274 3.687 3.960 0.000 0.000 0.265 487 G HA3 -0.274 3.687 3.960 0.000 0.000 0.265 487 G C 0.349 175.056 174.900 -0.322 0.000 0.979 487 G CA 0.529 45.534 45.100 -0.159 0.000 0.663 487 G HN 1.199 nan 8.290 nan 0.000 0.533 488 C N -0.956 118.172 119.300 -0.287 0.000 2.595 488 C HA 0.831 5.291 4.460 0.000 0.000 0.338 488 C C 2.207 177.081 174.990 -0.193 0.000 1.219 488 C CA 0.093 58.956 59.018 -0.257 0.000 1.811 488 C CB 1.297 28.861 27.740 -0.294 0.000 2.313 488 C HN 0.837 nan 8.230 nan 0.000 0.499 489 A N 0.595 123.363 122.820 -0.087 0.000 1.883 489 A HA -0.191 4.129 4.320 0.000 0.000 0.217 489 A C 1.800 179.461 177.584 0.129 0.000 1.186 489 A CA 2.342 54.367 52.037 -0.019 0.000 0.624 489 A CB -0.943 18.034 19.000 -0.039 0.000 0.822 489 A HN 1.095 nan 8.150 nan 0.000 0.444 490 Y N -0.894 119.484 120.300 0.129 0.000 2.314 490 Y HA 0.196 4.746 4.550 0.000 0.000 0.293 490 Y C 2.155 178.213 175.900 0.263 0.000 1.129 490 Y CA 0.563 58.773 58.100 0.184 0.000 1.201 490 Y CB -1.164 37.367 38.460 0.117 0.000 0.999 490 Y HN 0.082 nan 8.280 nan 0.000 0.541 491 G N 0.841 109.428 108.800 -0.354 0.000 2.418 491 G HA2 -0.210 3.751 3.960 0.000 0.000 0.217 491 G HA3 -0.210 3.751 3.960 0.000 0.000 0.217 491 G C 1.842 176.749 174.900 0.012 0.000 1.158 491 G CA 1.192 46.166 45.100 -0.210 0.000 0.771 491 G HN 0.644 nan 8.290 nan 0.000 0.545 492 A N -0.035 122.803 122.820 0.031 0.000 1.902 492 A HA -0.065 4.255 4.320 0.000 0.000 0.217 492 A C 2.152 179.840 177.584 0.174 0.000 1.181 492 A CA 1.621 53.706 52.037 0.081 0.000 0.623 492 A CB -0.771 18.272 19.000 0.072 0.000 0.818 492 A HN 0.564 nan 8.150 nan 0.000 0.443 493 W N 0.856 122.186 121.300 0.049 0.000 2.335 493 W HA -0.199 4.461 4.660 0.001 0.000 0.311 493 W C 2.051 178.619 176.519 0.081 0.000 1.213 493 W CA 2.165 59.564 57.345 0.089 0.000 1.274 493 W CB -0.090 29.459 29.460 0.148 0.000 1.148 493 W HN 0.399 nan 8.180 nan 0.000 0.498 494 E N 0.378 120.765 120.200 0.311 0.000 2.047 494 E HA -0.207 4.144 4.350 0.000 0.000 0.191 494 E C 2.399 178.979 176.600 -0.033 0.000 0.987 494 E CA 2.403 58.855 56.400 0.087 0.000 0.799 494 E CB -0.724 29.121 29.700 0.242 0.000 0.752 494 E HN 0.245 nan 8.360 nan 0.000 0.449 495 S N -0.828 114.877 115.700 0.008 0.000 2.420 495 S HA -0.134 4.337 4.470 0.000 0.000 0.237 495 S C 2.180 176.745 174.600 -0.058 0.000 1.023 495 S CA 1.236 59.419 58.200 -0.029 0.000 0.991 495 S CB -0.966 62.215 63.200 -0.033 0.000 0.792 495 S HN 0.353 nan 8.310 nan 0.000 0.488 496 G N 1.525 110.279 108.800 -0.077 0.000 2.394 496 G HA2 -0.101 3.859 3.960 0.000 0.000 0.215 496 G HA3 -0.101 3.859 3.960 0.000 0.000 0.215 496 G C 1.552 176.353 174.900 -0.166 0.000 1.165 496 G CA 0.479 45.515 45.100 -0.106 0.000 0.784 496 G HN 0.559 nan 8.290 nan 0.000 0.535 497 R N 0.263 120.607 120.500 -0.259 0.000 2.115 497 R HA 0.062 4.402 4.340 0.000 0.000 0.230 497 R C 2.500 178.702 176.300 -0.163 0.000 1.111 497 R CA 1.016 56.955 56.100 -0.268 0.000 0.976 497 R CB -0.250 29.800 30.300 -0.417 0.000 0.870 497 R HN 0.325 nan 8.270 nan 0.000 0.445 498 R N 0.549 120.973 120.500 -0.126 0.000 2.096 498 R HA -0.156 4.185 4.340 0.000 0.000 0.229 498 R C 1.722 177.972 176.300 -0.082 0.000 1.134 498 R CA 1.914 57.964 56.100 -0.083 0.000 0.917 498 R CB -0.173 30.094 30.300 -0.055 0.000 0.832 498 R HN 0.171 nan 8.270 nan 0.000 0.430 499 E N 0.429 120.583 120.200 -0.077 0.000 2.118 499 E HA -0.193 4.157 4.350 0.000 0.000 0.195 499 E C 1.862 178.397 176.600 -0.109 0.000 0.992 499 E CA 1.341 57.693 56.400 -0.080 0.000 0.804 499 E CB -0.406 29.255 29.700 -0.065 0.000 0.741 499 E HN 0.506 nan 8.360 nan 0.000 0.458 500 A N 0.862 123.614 122.820 -0.112 0.000 1.865 500 A HA -0.200 4.121 4.320 0.000 0.000 0.217 500 A C 2.500 180.012 177.584 -0.120 0.000 1.191 500 A CA 2.314 54.280 52.037 -0.118 0.000 0.623 500 A CB -1.065 17.869 19.000 -0.110 0.000 0.826 500 A HN 0.280 nan 8.150 nan 0.000 0.444 501 T N -0.597 113.892 114.554 -0.108 0.000 2.622 501 T HA -0.206 4.144 4.350 0.000 0.000 0.266 501 T C 2.038 176.671 174.700 -0.111 0.000 1.047 501 T CA 1.707 63.750 62.100 -0.096 0.000 1.159 501 T CB -0.339 68.480 68.868 -0.081 0.000 0.863 501 T HN 0.600 nan 8.240 nan 0.000 0.422 502 R N 0.796 121.229 120.500 -0.112 0.000 2.154 502 R HA -0.157 4.183 4.340 0.000 0.000 0.236 502 R C 2.432 178.607 176.300 -0.207 0.000 1.121 502 R CA 2.167 58.191 56.100 -0.127 0.000 0.915 502 R CB -0.714 29.522 30.300 -0.107 0.000 0.856 502 R HN 0.414 nan 8.270 nan 0.000 0.431 503 I N 0.713 121.109 120.570 -0.289 0.000 2.315 503 I HA -0.302 3.868 4.170 0.000 0.000 0.251 503 I C 2.694 178.593 176.117 -0.362 0.000 1.125 503 I CA 1.408 62.400 61.300 -0.513 0.000 1.392 503 I CB -0.436 37.270 38.000 -0.490 0.000 1.065 503 I HN 0.388 nan 8.210 nan 0.000 0.424 504 S N 1.024 116.596 115.700 -0.214 0.000 2.354 504 S HA -0.237 4.233 4.470 0.000 0.000 0.219 504 S C 1.751 176.279 174.600 -0.120 0.000 1.035 504 S CA 2.111 60.228 58.200 -0.138 0.000 1.037 504 S CB -0.280 62.863 63.200 -0.094 0.000 0.956 504 S HN 0.407 nan 8.310 nan 0.000 0.428 505 D N 1.490 121.825 120.400 -0.108 0.000 2.104 505 D HA -0.076 4.564 4.640 0.000 0.000 0.194 505 D C 1.965 178.217 176.300 -0.080 0.000 0.994 505 D CA 0.940 54.893 54.000 -0.078 0.000 0.830 505 D CB -0.676 40.085 40.800 -0.064 0.000 0.959 505 D HN 0.396 nan 8.370 nan 0.000 0.452 506 L N 0.116 121.266 121.223 -0.122 0.000 2.450 506 L HA -0.144 4.196 4.340 0.000 0.000 0.225 506 L C 2.084 178.921 176.870 -0.055 0.000 1.145 506 L CA 0.540 55.323 54.840 -0.095 0.000 0.801 506 L CB -0.154 41.803 42.059 -0.169 0.000 0.924 506 L HN 0.075 nan 8.230 nan 0.000 0.447 507 L N -1.960 119.215 121.223 -0.079 0.000 2.526 507 L HA 0.025 4.365 4.340 0.000 0.000 0.210 507 L C 2.324 179.184 176.870 -0.017 0.000 1.048 507 L CA 0.146 54.970 54.840 -0.028 0.000 0.852 507 L CB -0.158 41.875 42.059 -0.044 0.000 1.128 507 L HN -0.002 nan 8.230 nan 0.000 0.482 508 K N 0.800 121.181 120.400 -0.032 0.000 2.057 508 K HA -0.075 4.245 4.320 0.000 0.000 0.206 508 K C 2.022 178.615 176.600 -0.013 0.000 1.050 508 K CA 1.202 57.477 56.287 -0.020 0.000 0.935 508 K CB -0.117 32.367 32.500 -0.027 0.000 0.715 508 K HN 0.205 nan 8.250 nan 0.000 0.439 509 L N 1.102 122.315 121.223 -0.016 0.000 2.201 509 L HA -0.144 4.196 4.340 0.000 0.000 0.212 509 L C 2.054 178.923 176.870 -0.001 0.000 1.105 509 L CA 0.964 55.799 54.840 -0.009 0.000 0.775 509 L CB -0.433 41.619 42.059 -0.012 0.000 0.913 509 L HN 0.247 nan 8.230 nan 0.000 0.440 510 E N -0.514 119.689 120.200 0.004 0.000 1.964 510 E HA -0.183 4.168 4.350 0.000 0.000 0.209 510 E C 0.986 177.592 176.600 0.010 0.000 0.988 510 E CA 1.411 57.819 56.400 0.012 0.000 0.875 510 E CB -0.341 29.373 29.700 0.023 0.000 0.813 510 E HN 0.633 nan 8.360 nan 0.000 0.533 511 H N 0.000 119.077 119.070 0.012 0.000 2.539 511 H HA 0.000 4.556 4.556 0.000 0.000 0.296 511 H CA 0.000 56.054 56.048 0.010 0.000 1.023 511 H CB 0.000 nan 29.762 nan 0.000 1.292 511 H HN 0.000 nan 8.280 nan 0.000 0.496