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 2o4q_1_A DATA FIRST_RESID 34 DATA SEQUENCE GDRINTVRGP ITISEAGFTL THEHICASSA GFLRAWPEFF GSRKALAEKA DATA SEQUENCE VRGLRRARAA GVRTIVDVST FDIGRDVSLL AEVSRAADVH IVAATGLWFD DATA SEQUENCE PPLSMRLRSV EELTQFFLRE IQYGIEDTGI RAGIIXVATT GKATPFQELV DATA SEQUENCE LKAAARASLA TGVPVTTHTA ASQRDGEQQA AIFESEGLSP SRVCIGHSDD DATA SEQUENCE TDDLSYLTAL AARGYLIGLD HIPHSAIGLE DNASASALLG IRSWQTRALL DATA SEQUENCE IKALIDQGYM KQILVSNDWL FGFSSYVTNI MDVMDRVNPD GMAFIPLRVI DATA SEQUENCE PFLREKGVPQ ETLAGITVTN PARFLSPTLR A 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.975 3.960 0.026 0.000 0.244 34 G C 0.000 174.872 174.900 -0.046 0.000 0.946 34 G CA 0.000 45.068 45.100 -0.053 0.000 0.502 35 D N 0.983 121.358 120.400 -0.042 0.000 2.366 35 D HA 0.065 4.720 4.640 0.026 0.000 0.205 35 D C 0.517 176.790 176.300 -0.044 0.000 1.022 35 D CA 0.212 54.190 54.000 -0.038 0.000 0.868 35 D CB 0.813 41.595 40.800 -0.030 0.000 0.953 35 D HN 0.303 nan 8.370 nan 0.000 0.514 36 R N 0.488 120.956 120.500 -0.052 0.000 2.686 36 R HA 0.537 4.893 4.340 0.026 0.000 0.283 36 R C -0.630 175.626 176.300 -0.073 0.000 0.978 36 R CA -0.741 55.323 56.100 -0.060 0.000 0.897 36 R CB 2.320 32.589 30.300 -0.052 0.000 1.192 36 R HN 0.007 nan 8.270 nan 0.000 0.457 37 I N 2.374 122.893 120.570 -0.085 0.000 2.336 37 I HA 0.180 4.365 4.170 0.026 0.000 0.292 37 I C 0.122 176.185 176.117 -0.090 0.000 0.991 37 I CA -0.773 60.470 61.300 -0.094 0.000 1.227 37 I CB 1.120 39.060 38.000 -0.100 0.000 1.366 37 I HN 0.207 nan 8.210 nan 0.000 0.466 38 N N 4.828 123.479 118.700 -0.082 0.000 2.475 38 N HA 0.178 4.933 4.740 0.026 0.000 0.267 38 N C -0.015 175.461 175.510 -0.057 0.000 1.169 38 N CA 0.101 53.112 53.050 -0.066 0.000 0.947 38 N CB 1.158 39.607 38.487 -0.065 0.000 1.061 38 N HN 0.705 nan 8.380 nan 0.000 0.466 39 T N -3.074 111.457 114.554 -0.039 0.000 2.883 39 T HA 0.334 4.699 4.350 0.026 0.000 0.284 39 T C 1.308 176.012 174.700 0.006 0.000 1.041 39 T CA -0.782 61.311 62.100 -0.011 0.000 1.007 39 T CB 0.715 69.590 68.868 0.012 0.000 1.220 39 T HN 0.116 nan 8.240 nan 0.000 0.552 40 V N -1.015 118.913 119.914 0.023 0.000 3.305 40 V HA 0.233 4.368 4.120 0.026 0.000 0.269 40 V C 1.701 177.813 176.094 0.030 0.000 1.157 40 V CA 0.667 62.981 62.300 0.023 0.000 1.157 40 V CB -1.243 30.595 31.823 0.025 0.000 0.772 40 V HN 0.813 nan 8.190 nan 0.000 0.498 41 R N 0.909 121.434 120.500 0.042 0.000 2.397 41 R HA 0.552 4.908 4.340 0.026 0.000 0.241 41 R C 0.908 177.227 176.300 0.032 0.000 0.914 41 R CA 0.509 56.634 56.100 0.043 0.000 1.071 41 R CB 0.783 31.122 30.300 0.065 0.000 1.116 41 R HN 0.710 nan 8.270 nan 0.000 0.524 42 G N 1.521 110.332 108.800 0.018 0.000 2.384 42 G HA2 -0.139 3.836 3.960 0.026 0.000 0.668 42 G HA3 -0.139 3.836 3.960 0.026 0.000 0.668 42 G C -3.062 171.829 174.900 -0.015 0.000 1.280 42 G CA -1.335 43.767 45.100 0.004 0.000 0.992 42 G HN -0.154 nan 8.290 nan 0.000 0.512 43 P HA 0.511 nan 4.420 nan 0.000 0.271 43 P C 0.128 177.390 177.300 -0.062 0.000 1.216 43 P CA -0.137 62.935 63.100 -0.046 0.000 0.771 43 P CB 0.652 32.330 31.700 -0.037 0.000 0.864 44 I N -1.075 119.433 120.570 -0.104 0.000 2.797 44 I HA 0.654 4.840 4.170 0.026 0.000 0.307 44 I C 0.251 176.304 176.117 -0.107 0.000 1.033 44 I CA -1.004 60.213 61.300 -0.139 0.000 1.071 44 I CB 2.102 39.912 38.000 -0.318 0.000 1.255 44 I HN 0.239 nan 8.210 nan 0.000 0.445 45 T N 1.235 115.739 114.554 -0.084 0.000 2.860 45 T HA 0.255 4.621 4.350 0.026 0.000 0.299 45 T C 1.315 175.975 174.700 -0.067 0.000 1.045 45 T CA -0.618 61.446 62.100 -0.060 0.000 1.071 45 T CB 0.880 69.728 68.868 -0.034 0.000 0.985 45 T HN 0.513 nan 8.240 nan 0.000 0.537 46 I N 1.870 122.411 120.570 -0.048 0.000 2.208 46 I HA -0.157 4.029 4.170 0.026 0.000 0.245 46 I C 2.870 178.972 176.117 -0.025 0.000 1.097 46 I CA 2.003 63.279 61.300 -0.040 0.000 1.363 46 I CB -2.056 35.926 38.000 -0.030 0.000 1.051 46 I HN 0.943 nan 8.210 nan 0.000 0.413 47 S N 0.293 115.983 115.700 -0.016 0.000 2.453 47 S HA -0.121 4.365 4.470 0.026 0.000 0.231 47 S C 1.691 176.300 174.600 0.016 0.000 1.005 47 S CA 0.724 58.925 58.200 0.002 0.000 0.949 47 S CB -0.418 62.786 63.200 0.006 0.000 0.774 47 S HN 0.514 nan 8.310 nan 0.000 0.510 48 E N 1.076 121.274 120.200 -0.004 0.000 2.274 48 E HA 0.059 4.425 4.350 0.026 0.000 0.194 48 E C 2.285 178.908 176.600 0.039 0.000 0.996 48 E CA 0.689 57.103 56.400 0.022 0.000 0.840 48 E CB -0.310 29.363 29.700 -0.046 0.000 0.772 48 E HN 0.756 nan 8.360 nan 0.000 0.491 49 A N 1.297 124.108 122.820 -0.014 0.000 1.877 49 A HA 0.019 4.354 4.320 0.026 0.000 0.216 49 A C 1.594 179.252 177.584 0.124 0.000 1.186 49 A CA 1.502 53.553 52.037 0.024 0.000 0.620 49 A CB -1.057 17.941 19.000 -0.003 0.000 0.822 49 A HN 0.369 nan 8.150 nan 0.000 0.443 50 G N -1.531 107.329 108.800 0.100 0.000 2.575 50 G HA2 -0.234 3.742 3.960 0.026 0.000 0.267 50 G HA3 -0.234 3.742 3.960 0.026 0.000 0.267 50 G C 0.028 175.025 174.900 0.161 0.000 1.264 50 G CA 0.018 45.198 45.100 0.133 0.000 0.935 50 G HN 1.157 nan 8.290 nan 0.000 0.568 51 F N 2.535 122.513 119.950 0.046 0.000 2.590 51 F HA 0.467 5.009 4.527 0.025 0.000 0.389 51 F C 0.919 176.751 175.800 0.053 0.000 1.049 51 F CA 1.125 59.150 58.000 0.041 0.000 1.199 51 F CB 0.363 39.382 39.000 0.031 0.000 1.058 51 F HN 0.471 nan 8.300 nan 0.000 0.556 52 T N 7.798 122.401 114.554 0.082 0.000 2.879 52 T HA 0.437 4.803 4.350 0.026 0.000 0.290 52 T C -0.467 174.287 174.700 0.090 0.000 0.993 52 T CA -0.647 61.534 62.100 0.135 0.000 0.975 52 T CB 1.051 69.958 68.868 0.064 0.000 0.981 52 T HN 0.372 nan 8.240 nan 0.000 0.439 53 L N 3.471 124.807 121.223 0.189 0.000 2.265 53 L HA 0.341 4.696 4.340 0.026 0.000 0.288 53 L C 1.678 178.613 176.870 0.108 0.000 1.058 53 L CA -0.510 54.424 54.840 0.158 0.000 0.809 53 L CB 0.975 43.155 42.059 0.202 0.000 1.179 53 L HN 0.846 nan 8.230 nan 0.000 0.429 54 T N -2.165 112.441 114.554 0.088 0.000 3.086 54 T HA 0.030 4.395 4.350 0.026 0.000 0.250 54 T C 0.343 175.100 174.700 0.095 0.000 1.074 54 T CA 0.146 62.299 62.100 0.087 0.000 0.988 54 T CB -0.262 68.644 68.868 0.063 0.000 0.988 54 T HN 0.610 nan 8.240 nan 0.000 0.530 55 H N 0.670 119.742 119.070 0.004 0.000 3.162 55 H HA 0.487 5.059 4.556 0.026 0.000 0.309 55 H C -1.188 174.107 175.328 -0.055 0.000 1.156 55 H CA -0.461 55.563 56.048 -0.040 0.000 1.586 55 H CB 0.637 30.394 29.762 -0.007 0.000 1.740 55 H HN 0.040 nan 8.280 nan 0.000 0.525 56 E N 2.676 122.762 120.200 -0.191 0.000 2.449 56 E HA 0.336 4.701 4.350 0.026 0.000 0.278 56 E C -0.947 175.297 176.600 -0.594 0.000 0.992 56 E CA -0.913 55.396 56.400 -0.152 0.000 0.807 56 E CB 2.098 31.802 29.700 0.007 0.000 1.350 56 E HN 0.594 nan 8.360 nan 0.000 0.462 57 H N 0.560 119.595 119.070 -0.059 0.000 2.851 57 H HA 0.319 4.891 4.556 0.027 0.000 0.372 57 H C 1.030 176.321 175.328 -0.061 0.000 1.158 57 H CA -0.614 55.368 56.048 -0.110 0.000 1.159 57 H CB 1.853 31.492 29.762 -0.205 0.000 1.757 57 H HN 0.276 nan 8.280 nan 0.000 0.546 58 I N 0.470 121.117 120.570 0.128 0.000 2.193 58 I HA -0.112 4.073 4.170 0.026 0.000 0.240 58 I C 1.260 177.466 176.117 0.148 0.000 1.084 58 I CA 1.176 62.620 61.300 0.240 0.000 1.365 58 I CB -0.157 37.942 38.000 0.166 0.000 1.064 58 I HN 0.353 nan 8.210 nan 0.000 0.410 59 C N 1.355 120.671 119.300 0.028 0.000 2.642 59 C HA 0.761 5.236 4.460 0.026 0.000 0.344 59 C C -0.061 174.854 174.990 -0.126 0.000 1.110 59 C CA -0.851 58.130 59.018 -0.061 0.000 1.298 59 C CB 0.408 28.048 27.740 -0.166 0.000 1.827 59 C HN 0.433 nan 8.230 nan 0.000 0.467 60 A N 4.944 127.640 122.820 -0.207 0.000 2.279 60 A HA 0.717 5.052 4.320 0.026 0.000 0.306 60 A C 0.240 177.783 177.584 -0.069 0.000 1.300 60 A CA 0.217 52.045 52.037 -0.347 0.000 0.925 60 A CB 0.747 19.313 19.000 -0.724 0.000 1.152 60 A HN 1.149 nan 8.150 nan 0.000 0.544 61 S N 1.376 117.003 115.700 -0.123 0.000 3.952 61 S HA 0.845 5.331 4.470 0.026 0.000 0.293 61 S C -0.196 174.318 174.600 -0.143 0.000 1.090 61 S CA 0.022 58.197 58.200 -0.042 0.000 1.264 61 S CB 1.083 64.370 63.200 0.145 0.000 1.393 61 S HN 0.885 nan 8.310 nan 0.000 0.757 62 S N 0.377 116.025 115.700 -0.087 0.000 2.588 62 S HA 0.765 5.250 4.470 0.026 0.000 0.275 62 S C -0.800 173.765 174.600 -0.058 0.000 1.130 62 S CA -0.302 57.844 58.200 -0.089 0.000 0.855 62 S CB 1.388 64.532 63.200 -0.094 0.000 1.116 62 S HN 1.073 nan 8.310 nan 0.000 0.472 63 A N 0.566 123.259 122.820 -0.212 0.000 2.566 63 A HA 0.466 4.802 4.320 0.026 0.000 0.245 63 A C 1.573 179.114 177.584 -0.071 0.000 1.056 63 A CA 0.798 52.629 52.037 -0.343 0.000 0.757 63 A CB -1.327 17.192 19.000 -0.801 0.000 0.979 63 A HN 2.145 nan 8.150 nan 0.000 0.508 64 G N 1.498 110.292 108.800 -0.011 0.000 2.267 64 G HA2 -0.383 3.592 3.960 0.026 0.000 0.257 64 G HA3 -0.383 3.592 3.960 0.026 0.000 0.257 64 G C 0.913 175.895 174.900 0.136 0.000 0.998 64 G CA 1.073 46.214 45.100 0.068 0.000 0.620 64 G HN 1.310 nan 8.290 nan 0.000 0.529 65 F N 0.958 120.931 119.950 0.037 0.000 2.113 65 F HA 0.194 4.715 4.527 -0.010 0.000 0.297 65 F C 2.460 178.376 175.800 0.195 0.000 1.103 65 F CA 2.161 60.224 58.000 0.104 0.000 1.248 65 F CB -0.272 38.757 39.000 0.049 0.000 0.999 65 F HN 0.217 nan 8.300 nan 0.000 0.475 66 L N 1.053 122.461 121.223 0.308 0.000 2.081 66 L HA -0.211 4.144 4.340 0.026 0.000 0.212 66 L C 2.338 179.275 176.870 0.111 0.000 1.080 66 L CA 1.793 56.771 54.840 0.229 0.000 0.754 66 L CB -0.744 41.361 42.059 0.076 0.000 0.893 66 L HN 0.069 nan 8.230 nan 0.000 0.433 67 R N -0.746 119.799 120.500 0.075 0.000 2.119 67 R HA 0.109 4.464 4.340 0.026 0.000 0.222 67 R C 2.064 178.388 176.300 0.040 0.000 1.088 67 R CA 1.075 57.208 56.100 0.056 0.000 0.984 67 R CB -0.627 29.704 30.300 0.051 0.000 0.884 67 R HN 0.500 nan 8.270 nan 0.000 0.447 68 A N -0.703 122.125 122.820 0.013 0.000 2.021 68 A HA -0.063 4.272 4.320 0.026 0.000 0.216 68 A C 0.598 178.189 177.584 0.012 0.000 1.163 68 A CA 0.461 52.491 52.037 -0.010 0.000 0.676 68 A CB 0.025 19.010 19.000 -0.025 0.000 0.818 68 A HN 0.428 nan 8.150 nan 0.000 0.453 69 W N 0.505 121.628 121.300 -0.296 0.000 1.067 69 W HA 0.340 5.002 4.660 0.003 0.000 0.313 69 W C -2.681 173.756 176.519 -0.136 0.000 0.868 69 W CA -1.930 55.225 57.345 -0.317 0.000 1.561 69 W CB 0.833 29.887 29.460 -0.678 0.000 1.608 69 W HN 0.128 nan 8.180 nan 0.000 0.485 70 P HA -0.162 nan 4.420 nan 0.000 0.221 70 P C 0.875 178.362 177.300 0.310 0.000 1.150 70 P CA 1.635 64.924 63.100 0.315 0.000 0.800 70 P CB 0.480 32.300 31.700 0.199 0.000 0.787 71 E N -0.811 119.552 120.200 0.271 0.000 2.333 71 E HA -0.131 4.235 4.350 0.026 0.000 0.198 71 E C 1.557 178.176 176.600 0.032 0.000 1.007 71 E CA 0.530 57.049 56.400 0.198 0.000 0.845 71 E CB -1.207 28.651 29.700 0.262 0.000 0.766 71 E HN 0.264 nan 8.360 nan 0.000 0.507 72 F N -0.373 119.338 119.950 -0.398 0.000 2.333 72 F HA -0.118 4.438 4.527 0.049 0.000 0.300 72 F C 0.742 176.174 175.800 -0.612 0.000 1.083 72 F CA 1.005 58.529 58.000 -0.793 0.000 1.395 72 F CB 0.136 38.318 39.000 -1.363 0.000 1.056 72 F HN -0.041 nan 8.300 nan 0.000 0.529 73 F N -0.094 119.851 119.950 -0.008 0.000 2.684 73 F HA 0.396 4.930 4.527 0.011 0.000 0.298 73 F C 1.538 177.317 175.800 -0.034 0.000 1.120 73 F CA 0.336 58.330 58.000 -0.010 0.000 1.332 73 F CB 0.211 39.277 39.000 0.111 0.000 0.986 73 F HN 0.128 nan 8.300 nan 0.000 0.524 74 G N 0.769 109.595 108.800 0.044 0.000 5.155 74 G HA2 -0.297 3.678 3.960 0.026 0.000 0.239 74 G HA3 -0.297 3.678 3.960 0.026 0.000 0.239 74 G C 0.325 175.283 174.900 0.097 0.000 1.409 74 G CA 0.262 45.395 45.100 0.056 0.000 0.927 74 G HN 0.821 nan 8.290 nan 0.000 0.710 75 S N -1.274 114.504 115.700 0.131 0.000 2.615 75 S HA 0.708 5.193 4.470 0.026 0.000 0.269 75 S C 0.429 175.108 174.600 0.131 0.000 1.161 75 S CA 0.568 58.844 58.200 0.127 0.000 0.817 75 S CB 1.853 65.101 63.200 0.080 0.000 1.131 75 S HN 0.908 nan 8.310 nan 0.000 0.467 76 R N 0.947 121.509 120.500 0.103 0.000 2.081 76 R HA -0.040 4.315 4.340 0.026 0.000 0.235 76 R C 2.110 178.426 176.300 0.025 0.000 1.131 76 R CA 1.523 57.654 56.100 0.051 0.000 0.960 76 R CB -0.365 29.959 30.300 0.040 0.000 0.856 76 R HN 0.726 nan 8.270 nan 0.000 0.436 77 K N 0.324 120.742 120.400 0.032 0.000 2.032 77 K HA -0.147 4.188 4.320 0.026 0.000 0.209 77 K C 1.843 178.451 176.600 0.012 0.000 1.048 77 K CA 1.615 57.911 56.287 0.016 0.000 0.927 77 K CB -0.211 32.300 32.500 0.018 0.000 0.712 77 K HN 0.259 nan 8.250 nan 0.000 0.441 78 A N 1.470 124.309 122.820 0.031 0.000 1.933 78 A HA -0.154 4.181 4.320 0.026 0.000 0.218 78 A C 2.088 179.689 177.584 0.028 0.000 1.175 78 A CA 1.378 53.434 52.037 0.033 0.000 0.628 78 A CB -0.490 18.541 19.000 0.053 0.000 0.814 78 A HN 0.412 nan 8.150 nan 0.000 0.444 79 L N -0.413 120.830 121.223 0.034 0.000 2.044 79 L HA 0.051 4.406 4.340 0.026 0.000 0.205 79 L C 2.621 179.466 176.870 -0.042 0.000 1.075 79 L CA 2.148 56.994 54.840 0.011 0.000 0.747 79 L CB -0.830 41.196 42.059 -0.055 0.000 0.903 79 L HN 0.301 nan 8.230 nan 0.000 0.435 80 A N -0.410 122.381 122.820 -0.050 0.000 1.883 80 A HA -0.267 4.068 4.320 0.026 0.000 0.217 80 A C 2.161 179.685 177.584 -0.101 0.000 1.186 80 A CA 2.079 54.072 52.037 -0.073 0.000 0.624 80 A CB -0.807 18.165 19.000 -0.047 0.000 0.822 80 A HN 0.640 nan 8.150 nan 0.000 0.444 81 E N -0.600 119.558 120.200 -0.069 0.000 2.085 81 E HA -0.231 4.134 4.350 0.026 0.000 0.194 81 E C 2.129 178.663 176.600 -0.111 0.000 0.994 81 E CA 1.466 57.822 56.400 -0.073 0.000 0.801 81 E CB -0.159 29.519 29.700 -0.037 0.000 0.743 81 E HN 0.709 nan 8.360 nan 0.000 0.453 82 K N 0.856 121.194 120.400 -0.103 0.000 2.057 82 K HA -0.114 4.221 4.320 0.026 0.000 0.206 82 K C 2.141 178.494 176.600 -0.411 0.000 1.050 82 K CA 1.170 57.384 56.287 -0.121 0.000 0.935 82 K CB -0.085 32.423 32.500 0.012 0.000 0.715 82 K HN 0.080 nan 8.250 nan 0.000 0.439 83 A N 0.750 123.226 122.820 -0.574 0.000 1.930 83 A HA -0.071 4.265 4.320 0.026 0.000 0.217 83 A C 2.214 179.344 177.584 -0.757 0.000 1.175 83 A CA 1.439 52.739 52.037 -1.229 0.000 0.627 83 A CB -0.534 18.124 19.000 -0.569 0.000 0.815 83 A HN 0.173 nan 8.150 nan 0.000 0.443 84 V N 0.263 119.954 119.914 -0.372 0.000 2.295 84 V HA -0.288 3.847 4.120 0.026 0.000 0.246 84 V C 2.629 178.608 176.094 -0.190 0.000 1.049 84 V CA 2.234 64.400 62.300 -0.222 0.000 1.024 84 V CB -0.873 30.869 31.823 -0.135 0.000 0.648 84 V HN 0.530 nan 8.190 nan 0.000 0.447 85 R N 0.230 120.622 120.500 -0.181 0.000 2.083 85 R HA -0.140 4.216 4.340 0.026 0.000 0.237 85 R C 2.503 178.747 176.300 -0.093 0.000 1.137 85 R CA 1.665 57.700 56.100 -0.108 0.000 0.951 85 R CB -0.975 29.282 30.300 -0.070 0.000 0.851 85 R HN 0.594 nan 8.270 nan 0.000 0.434 86 G N 1.309 110.011 108.800 -0.164 0.000 2.433 86 G HA2 -0.223 3.753 3.960 0.026 0.000 0.216 86 G HA3 -0.223 3.753 3.960 0.026 0.000 0.216 86 G C 1.503 176.444 174.900 0.069 0.000 1.186 86 G CA 0.451 45.574 45.100 0.039 0.000 0.779 86 G HN 0.113 nan 8.290 nan 0.000 0.543 87 L N -0.128 121.065 121.223 -0.050 0.000 2.042 87 L HA -0.123 4.233 4.340 0.026 0.000 0.210 87 L C 3.183 180.047 176.870 -0.009 0.000 1.076 87 L CA 1.276 56.128 54.840 0.019 0.000 0.749 87 L CB -0.345 41.695 42.059 -0.031 0.000 0.893 87 L HN 0.164 nan 8.230 nan 0.000 0.432 88 R N -0.370 120.104 120.500 -0.044 0.000 2.096 88 R HA -0.136 4.219 4.340 0.026 0.000 0.235 88 R C 2.415 178.696 176.300 -0.031 0.000 1.127 88 R CA 1.190 57.266 56.100 -0.041 0.000 0.968 88 R CB -0.247 30.024 30.300 -0.049 0.000 0.861 88 R HN 0.373 nan 8.270 nan 0.000 0.440 89 R N 0.047 120.537 120.500 -0.017 0.000 2.115 89 R HA 0.009 4.364 4.340 0.026 0.000 0.226 89 R C 2.292 178.575 176.300 -0.028 0.000 1.100 89 R CA 1.102 57.191 56.100 -0.018 0.000 0.980 89 R CB -0.195 30.105 30.300 -0.001 0.000 0.875 89 R HN 0.181 nan 8.270 nan 0.000 0.445 90 A N 1.260 124.077 122.820 -0.005 0.000 1.898 90 A HA -0.174 4.161 4.320 0.026 0.000 0.216 90 A C 2.120 179.660 177.584 -0.073 0.000 1.181 90 A CA 1.217 53.239 52.037 -0.026 0.000 0.620 90 A CB -0.438 18.587 19.000 0.042 0.000 0.819 90 A HN 0.208 nan 8.150 nan 0.000 0.442 91 R N -0.269 120.201 120.500 -0.050 0.000 2.083 91 R HA -0.154 4.201 4.340 0.026 0.000 0.237 91 R C 2.283 178.533 176.300 -0.083 0.000 1.137 91 R CA 1.599 57.659 56.100 -0.067 0.000 0.951 91 R CB -0.453 29.815 30.300 -0.053 0.000 0.851 91 R HN 0.434 nan 8.270 nan 0.000 0.434 92 A N 0.596 123.374 122.820 -0.071 0.000 1.940 92 A HA -0.125 4.210 4.320 0.026 0.000 0.219 92 A C 2.221 179.747 177.584 -0.096 0.000 1.176 92 A CA 1.781 53.776 52.037 -0.071 0.000 0.631 92 A CB -0.694 18.273 19.000 -0.055 0.000 0.814 92 A HN 0.545 nan 8.150 nan 0.000 0.446 93 A N -2.188 120.558 122.820 -0.123 0.000 2.235 93 A HA 0.407 4.742 4.320 0.026 0.000 0.208 93 A C 1.690 179.110 177.584 -0.272 0.000 1.172 93 A CA 1.296 53.229 52.037 -0.172 0.000 0.786 93 A CB -0.777 18.118 19.000 -0.175 0.000 0.804 93 A HN 1.893 nan 8.150 nan 0.000 0.479 94 G N -2.108 106.536 108.800 -0.259 0.000 2.175 94 G HA2 -0.146 3.829 3.960 0.026 0.000 0.182 94 G HA3 -0.146 3.829 3.960 0.026 0.000 0.182 94 G C 0.072 174.718 174.900 -0.422 0.000 1.003 94 G CA -0.083 44.830 45.100 -0.311 0.000 0.666 94 G HN 0.635 nan 8.290 nan 0.000 0.506 95 V N 2.052 121.747 119.914 -0.365 0.000 2.508 95 V HA 0.379 4.514 4.120 0.026 0.000 0.281 95 V C 1.503 177.601 176.094 0.006 0.000 1.041 95 V CA -0.037 62.163 62.300 -0.167 0.000 1.016 95 V CB 1.347 33.136 31.823 -0.057 0.000 0.984 95 V HN 0.326 nan 8.190 nan 0.000 0.478 96 R N 2.232 122.811 120.500 0.132 0.000 2.250 96 R HA 0.247 4.602 4.340 0.026 0.000 0.194 96 R C 0.166 176.562 176.300 0.161 0.000 0.927 96 R CA 0.355 56.527 56.100 0.119 0.000 1.052 96 R CB 0.657 31.060 30.300 0.172 0.000 1.055 96 R HN 0.674 nan 8.270 nan 0.000 0.537 97 T N 1.686 116.363 114.554 0.205 0.000 2.956 97 T HA 0.550 4.915 4.350 0.026 0.000 0.312 97 T C -0.466 174.336 174.700 0.171 0.000 1.151 97 T CA -0.653 61.572 62.100 0.208 0.000 1.024 97 T CB 2.324 71.313 68.868 0.201 0.000 1.140 97 T HN 0.159 nan 8.240 nan 0.000 0.473 98 I N -0.939 119.713 120.570 0.137 0.000 2.785 98 I HA 0.907 5.092 4.170 0.026 0.000 0.302 98 I C -1.162 174.995 176.117 0.067 0.000 1.069 98 I CA -1.334 60.032 61.300 0.111 0.000 1.045 98 I CB 2.004 40.071 38.000 0.112 0.000 1.236 98 I HN 0.297 nan 8.210 nan 0.000 0.429 99 V N 3.391 123.325 119.914 0.034 0.000 2.328 99 V HA 0.245 4.380 4.120 0.026 0.000 0.278 99 V C -0.415 175.621 176.094 -0.097 0.000 1.021 99 V CA -0.237 62.053 62.300 -0.016 0.000 0.838 99 V CB 0.949 32.772 31.823 0.001 0.000 0.999 99 V HN 0.738 nan 8.190 nan 0.000 0.447 100 D N 4.491 124.832 120.400 -0.099 0.000 2.365 100 D HA 0.117 4.773 4.640 0.026 0.000 0.237 100 D C 0.751 176.920 176.300 -0.219 0.000 1.190 100 D CA -0.250 53.647 54.000 -0.171 0.000 0.867 100 D CB 1.769 42.525 40.800 -0.073 0.000 1.050 100 D HN 0.453 nan 8.370 nan 0.000 0.491 101 V N 1.619 121.285 119.914 -0.413 0.000 3.337 101 V HA 0.230 4.366 4.120 0.026 0.000 0.343 101 V C 0.471 176.456 176.094 -0.182 0.000 1.302 101 V CA -0.637 61.463 62.300 -0.334 0.000 1.268 101 V CB -0.892 30.619 31.823 -0.521 0.000 1.185 101 V HN 0.269 nan 8.190 nan 0.000 0.447 102 S N 2.624 118.277 115.700 -0.080 0.000 2.505 102 S HA 0.440 4.925 4.470 0.026 0.000 0.276 102 S C 0.837 175.422 174.600 -0.024 0.000 1.274 102 S CA 0.172 58.365 58.200 -0.011 0.000 1.053 102 S CB 0.860 64.072 63.200 0.020 0.000 0.919 102 S HN 0.883 nan 8.310 nan 0.000 0.490 103 T N 0.443 114.988 114.554 -0.016 0.000 2.897 103 T HA 0.424 4.789 4.350 0.026 0.000 0.278 103 T C 0.970 175.766 174.700 0.161 0.000 0.981 103 T CA -0.838 61.324 62.100 0.104 0.000 0.973 103 T CB 0.181 69.154 68.868 0.176 0.000 1.092 103 T HN 0.362 nan 8.240 nan 0.000 0.543 104 F N 2.160 122.211 119.950 0.168 0.000 2.063 104 F HA -0.287 4.285 4.527 0.076 0.000 0.297 104 F C 2.079 177.962 175.800 0.138 0.000 1.099 104 F CA 2.724 60.842 58.000 0.197 0.000 1.220 104 F CB -0.435 38.762 39.000 0.329 0.000 0.972 104 F HN 0.783 nan 8.300 nan 0.000 0.487 105 D N -0.225 120.229 120.400 0.089 0.000 2.355 105 D HA -0.099 4.556 4.640 0.026 0.000 0.218 105 D C 1.804 178.074 176.300 -0.051 0.000 1.004 105 D CA 0.747 54.736 54.000 -0.017 0.000 0.880 105 D CB -0.799 40.159 40.800 0.263 0.000 0.911 105 D HN 0.494 nan 8.370 nan 0.000 0.528 106 I N 0.431 120.907 120.570 -0.157 0.000 3.735 106 I HA 0.135 4.321 4.170 0.026 0.000 0.310 106 I C 1.375 177.350 176.117 -0.237 0.000 1.270 106 I CA 0.327 61.393 61.300 -0.389 0.000 1.207 106 I CB -0.166 37.480 38.000 -0.591 0.000 1.013 106 I HN 0.131 nan 8.210 nan 0.000 0.452 107 G N 2.282 110.969 108.800 -0.187 0.000 2.160 107 G HA2 -0.336 3.640 3.960 0.026 0.000 0.251 107 G HA3 -0.336 3.640 3.960 0.026 0.000 0.251 107 G C 0.546 175.400 174.900 -0.075 0.000 1.008 107 G CA -0.046 44.975 45.100 -0.130 0.000 0.724 107 G HN 0.503 nan 8.290 nan 0.000 0.514 108 R N 0.559 121.023 120.500 -0.060 0.000 2.486 108 R HA 0.075 4.431 4.340 0.026 0.000 0.304 108 R C -0.932 175.377 176.300 0.017 0.000 0.913 108 R CA 0.766 56.861 56.100 -0.008 0.000 1.124 108 R CB 0.183 30.502 30.300 0.031 0.000 0.891 108 R HN 0.154 nan 8.270 nan 0.000 0.410 109 D N 5.081 125.486 120.400 0.009 0.000 2.462 109 D HA 0.062 4.717 4.640 0.026 0.000 0.249 109 D C 0.783 177.097 176.300 0.024 0.000 1.117 109 D CA -0.349 53.664 54.000 0.021 0.000 0.900 109 D CB 1.458 42.259 40.800 0.001 0.000 1.039 109 D HN 0.356 nan 8.370 nan 0.000 0.516 110 V N 2.900 122.838 119.914 0.041 0.000 2.594 110 V HA -0.195 3.940 4.120 0.026 0.000 0.253 110 V C 2.051 178.162 176.094 0.028 0.000 1.069 110 V CA 1.826 64.148 62.300 0.035 0.000 1.082 110 V CB -0.049 31.802 31.823 0.047 0.000 0.680 110 V HN 0.473 nan 8.190 nan 0.000 0.469 111 S N -0.179 115.539 115.700 0.030 0.000 2.423 111 S HA -0.143 4.342 4.470 0.026 0.000 0.231 111 S C 1.726 176.334 174.600 0.013 0.000 1.014 111 S CA 1.486 59.700 58.200 0.024 0.000 0.965 111 S CB -0.248 62.968 63.200 0.027 0.000 0.785 111 S HN 0.505 nan 8.310 nan 0.000 0.495 112 L N 1.374 122.602 121.223 0.007 0.000 2.044 112 L HA 0.054 4.410 4.340 0.026 0.000 0.205 112 L C 1.835 178.704 176.870 -0.001 0.000 1.075 112 L CA 1.422 56.258 54.840 -0.006 0.000 0.747 112 L CB -0.687 41.359 42.059 -0.022 0.000 0.903 112 L HN 0.119 nan 8.230 nan 0.000 0.435 113 L N 0.288 121.516 121.223 0.008 0.000 1.990 113 L HA -0.214 4.142 4.340 0.026 0.000 0.213 113 L C 2.744 179.623 176.870 0.014 0.000 1.072 113 L CA 2.240 57.090 54.840 0.016 0.000 0.755 113 L CB -1.649 40.422 42.059 0.020 0.000 0.889 113 L HN 0.375 nan 8.230 nan 0.000 0.432 114 A N -0.975 121.854 122.820 0.015 0.000 1.883 114 A HA -0.284 4.052 4.320 0.026 0.000 0.217 114 A C 2.351 179.939 177.584 0.007 0.000 1.186 114 A CA 1.882 53.928 52.037 0.015 0.000 0.624 114 A CB -0.689 18.322 19.000 0.018 0.000 0.822 114 A HN 0.537 nan 8.150 nan 0.000 0.444 115 E N 0.133 120.334 120.200 0.002 0.000 2.058 115 E HA -0.183 4.182 4.350 0.026 0.000 0.194 115 E C 1.936 178.526 176.600 -0.017 0.000 0.997 115 E CA 2.288 58.684 56.400 -0.007 0.000 0.801 115 E CB -0.247 29.447 29.700 -0.009 0.000 0.746 115 E HN 0.569 nan 8.360 nan 0.000 0.450 116 V N -1.261 118.640 119.914 -0.022 0.000 2.719 116 V HA -0.083 4.053 4.120 0.026 0.000 0.252 116 V C 2.333 178.410 176.094 -0.030 0.000 1.065 116 V CA 1.644 63.921 62.300 -0.039 0.000 1.086 116 V CB -0.299 31.490 31.823 -0.058 0.000 0.700 116 V HN 0.233 nan 8.190 nan 0.000 0.467 117 S N 0.844 116.538 115.700 -0.009 0.000 2.348 117 S HA -0.220 4.266 4.470 0.026 0.000 0.221 117 S C 2.263 176.851 174.600 -0.020 0.000 1.033 117 S CA 1.981 60.179 58.200 -0.004 0.000 1.010 117 S CB -0.384 62.828 63.200 0.020 0.000 0.891 117 S HN 0.686 nan 8.310 nan 0.000 0.442 118 R N 0.658 121.151 120.500 -0.012 0.000 2.073 118 R HA -0.025 4.331 4.340 0.026 0.000 0.234 118 R C 2.691 178.975 176.300 -0.027 0.000 1.134 118 R CA 1.379 57.469 56.100 -0.016 0.000 0.952 118 R CB -0.738 29.558 30.300 -0.006 0.000 0.850 118 R HN 0.525 nan 8.270 nan 0.000 0.433 119 A N 1.082 123.884 122.820 -0.030 0.000 1.933 119 A HA -0.069 4.266 4.320 0.026 0.000 0.218 119 A C 2.245 179.802 177.584 -0.046 0.000 1.175 119 A CA 1.722 53.737 52.037 -0.037 0.000 0.628 119 A CB -0.409 18.567 19.000 -0.040 0.000 0.814 119 A HN 0.409 nan 8.150 nan 0.000 0.444 120 A N -1.623 121.165 122.820 -0.053 0.000 2.132 120 A HA 0.272 4.608 4.320 0.026 0.000 0.213 120 A C 0.868 178.415 177.584 -0.062 0.000 1.154 120 A CA 1.164 53.166 52.037 -0.058 0.000 0.753 120 A CB -0.213 18.750 19.000 -0.062 0.000 0.826 120 A HN 0.583 nan 8.150 nan 0.000 0.469 121 D N -1.115 119.245 120.400 -0.067 0.000 2.699 121 D HA -0.122 4.534 4.640 0.026 0.000 0.239 121 D C -0.709 175.501 176.300 -0.150 0.000 1.136 121 D CA 0.874 54.815 54.000 -0.099 0.000 0.668 121 D CB -1.623 39.125 40.800 -0.087 0.000 1.060 121 D HN 0.206 nan 8.370 nan 0.000 0.429 122 V N 2.135 121.974 119.914 -0.125 0.000 2.680 122 V HA 0.381 4.517 4.120 0.026 0.000 0.309 122 V C 0.559 176.591 176.094 -0.103 0.000 1.052 122 V CA -0.970 61.252 62.300 -0.131 0.000 0.908 122 V CB 1.937 33.745 31.823 -0.026 0.000 1.001 122 V HN 0.228 nan 8.190 nan 0.000 0.431 123 H N 4.310 123.397 119.070 0.029 0.000 2.764 123 H HA 0.471 5.042 4.556 0.025 0.000 0.341 123 H C -0.488 174.857 175.328 0.028 0.000 1.072 123 H CA 0.298 56.361 56.048 0.024 0.000 1.444 123 H CB 1.015 30.792 29.762 0.025 0.000 1.458 123 H HN 0.425 nan 8.280 nan 0.000 0.572 124 I N 2.889 123.548 120.570 0.148 0.000 2.499 124 I HA 0.128 4.314 4.170 0.026 0.000 0.288 124 I C -0.308 175.839 176.117 0.050 0.000 1.048 124 I CA -0.866 60.484 61.300 0.084 0.000 1.062 124 I CB 2.260 40.295 38.000 0.059 0.000 1.238 124 I HN 0.142 nan 8.210 nan 0.000 0.426 125 V N 5.406 125.335 119.914 0.025 0.000 2.407 125 V HA 0.585 4.721 4.120 0.026 0.000 0.278 125 V C 0.580 176.658 176.094 -0.028 0.000 1.037 125 V CA -0.421 61.872 62.300 -0.011 0.000 0.900 125 V CB 1.339 33.147 31.823 -0.026 0.000 0.983 125 V HN 0.840 nan 8.190 nan 0.000 0.459 126 A N 4.300 127.100 122.820 -0.033 0.000 2.279 126 A HA 0.923 5.259 4.320 0.026 0.000 0.303 126 A C 0.185 177.732 177.584 -0.062 0.000 1.108 126 A CA -0.095 51.919 52.037 -0.038 0.000 0.830 126 A CB 1.046 20.035 19.000 -0.019 0.000 1.106 126 A HN 1.252 nan 8.150 nan 0.000 0.493 127 A N 0.083 122.866 122.820 -0.062 0.000 2.356 127 A HA 0.769 5.104 4.320 0.026 0.000 0.323 127 A C 0.134 177.672 177.584 -0.077 0.000 1.119 127 A CA -0.023 51.962 52.037 -0.087 0.000 0.790 127 A CB 1.316 20.259 19.000 -0.094 0.000 1.273 127 A HN 1.082 nan 8.150 nan 0.000 0.452 128 T N -0.553 113.918 114.554 -0.139 0.000 2.819 128 T HA 0.785 5.151 4.350 0.026 0.000 0.271 128 T C 0.532 175.063 174.700 -0.281 0.000 0.986 128 T CA 0.976 62.968 62.100 -0.180 0.000 0.989 128 T CB 0.875 69.585 68.868 -0.263 0.000 1.396 128 T HN 2.653 nan 8.240 nan 0.000 0.597 129 G N -0.307 108.170 108.800 -0.538 0.000 2.526 129 G HA2 0.073 4.049 3.960 0.026 0.000 0.250 129 G HA3 0.073 4.049 3.960 0.026 0.000 0.250 129 G C -1.751 173.205 174.900 0.093 0.000 1.289 129 G CA -0.356 44.325 45.100 -0.699 0.000 0.947 129 G HN 0.890 nan 8.290 nan 0.000 0.517 130 L N -1.205 120.152 121.223 0.224 0.000 2.482 130 L HA 0.613 4.968 4.340 0.026 0.000 0.263 130 L C -0.021 177.091 176.870 0.403 0.000 0.957 130 L CA -0.702 54.398 54.840 0.433 0.000 0.836 130 L CB 2.235 44.638 42.059 0.573 0.000 1.324 130 L HN 0.888 nan 8.230 nan 0.000 0.406 131 W N 3.032 124.430 121.300 0.163 0.000 2.283 131 W HA 0.376 5.031 4.660 -0.010 0.000 0.604 131 W C 0.614 177.203 176.519 0.116 0.000 1.554 131 W CA -0.193 57.195 57.345 0.072 0.000 1.522 131 W CB 0.371 29.777 29.460 -0.090 0.000 3.073 131 W HN 0.335 nan 8.180 nan 0.000 0.751 132 F N 0.950 120.668 119.950 -0.386 0.000 2.668 132 F HA 0.330 4.881 4.527 0.040 0.000 0.297 132 F C 0.054 175.696 175.800 -0.265 0.000 1.124 132 F CA -0.544 57.203 58.000 -0.422 0.000 1.353 132 F CB -0.459 38.172 39.000 -0.614 0.000 0.992 132 F HN 0.058 nan 8.300 nan 0.000 0.524 133 D N 2.237 122.609 120.400 -0.047 0.000 2.945 133 D HA 0.245 4.901 4.640 0.026 0.000 0.366 133 D C -2.793 173.604 176.300 0.162 0.000 1.352 133 D CA -2.075 51.970 54.000 0.076 0.000 0.810 133 D CB 0.624 41.499 40.800 0.125 0.000 1.170 133 D HN 0.049 nan 8.370 nan 0.000 0.461 134 P HA 0.215 nan 4.420 nan 0.000 0.271 134 P C -2.498 174.851 177.300 0.081 0.000 1.216 134 P CA -1.000 62.218 63.100 0.197 0.000 0.771 134 P CB 0.894 32.718 31.700 0.207 0.000 0.864 135 P HA 0.170 nan 4.420 nan 0.000 0.277 135 P C 1.293 178.576 177.300 -0.029 0.000 1.276 135 P CA -0.431 62.706 63.100 0.062 0.000 0.788 135 P CB 1.046 32.825 31.700 0.132 0.000 1.114 136 L N -0.158 121.044 121.223 -0.035 0.000 2.042 136 L HA -0.183 4.173 4.340 0.026 0.000 0.210 136 L C 2.551 179.365 176.870 -0.094 0.000 1.076 136 L CA 1.844 56.637 54.840 -0.079 0.000 0.749 136 L CB -0.790 41.242 42.059 -0.046 0.000 0.893 136 L HN 0.360 nan 8.230 nan 0.000 0.432 137 S N -1.005 114.662 115.700 -0.055 0.000 2.447 137 S HA -0.105 4.381 4.470 0.026 0.000 0.233 137 S C 1.884 176.417 174.600 -0.112 0.000 1.006 137 S CA 0.988 59.146 58.200 -0.071 0.000 0.957 137 S CB -0.013 63.156 63.200 -0.052 0.000 0.773 137 S HN 0.278 nan 8.310 nan 0.000 0.507 138 M N 0.987 120.521 119.600 -0.110 0.000 2.216 138 M HA 0.141 4.637 4.480 0.026 0.000 0.264 138 M C 1.998 178.154 176.300 -0.240 0.000 1.080 138 M CA 1.105 56.345 55.300 -0.100 0.000 1.153 138 M CB -1.022 31.593 32.600 0.025 0.000 1.356 138 M HN 0.205 nan 8.290 nan 0.000 0.432 139 R N 0.354 120.532 120.500 -0.538 0.000 2.152 139 R HA -0.043 4.313 4.340 0.026 0.000 0.232 139 R C 1.804 177.753 176.300 -0.584 0.000 1.117 139 R CA 0.920 56.328 56.100 -1.155 0.000 0.981 139 R CB -0.440 29.458 30.300 -0.671 0.000 0.870 139 R HN 0.367 nan 8.270 nan 0.000 0.451 140 L N 0.678 121.752 121.223 -0.247 0.000 2.591 140 L HA 0.073 4.428 4.340 0.026 0.000 0.228 140 L C 0.568 177.438 176.870 0.001 0.000 1.133 140 L CA 0.030 54.816 54.840 -0.089 0.000 0.880 140 L CB -0.066 41.950 42.059 -0.072 0.000 1.033 140 L HN -0.014 nan 8.230 nan 0.000 0.450 141 R N 0.581 121.119 120.500 0.063 0.000 2.500 141 R HA 0.300 4.656 4.340 0.026 0.000 0.275 141 R C 0.431 176.812 176.300 0.136 0.000 1.051 141 R CA -0.138 56.013 56.100 0.085 0.000 1.088 141 R CB 1.301 31.639 30.300 0.063 0.000 1.063 141 R HN 0.057 nan 8.270 nan 0.000 0.511 142 S N -0.507 115.231 115.700 0.064 0.000 2.632 142 S HA 0.043 4.529 4.470 0.026 0.000 0.267 142 S C 1.325 175.935 174.600 0.017 0.000 1.276 142 S CA -0.700 57.529 58.200 0.048 0.000 0.998 142 S CB 1.232 64.447 63.200 0.024 0.000 0.953 142 S HN 0.418 nan 8.310 nan 0.000 0.547 143 V N 1.172 121.087 119.914 0.001 0.000 2.380 143 V HA -0.202 3.933 4.120 0.026 0.000 0.251 143 V C 2.225 178.294 176.094 -0.041 0.000 1.063 143 V CA 2.619 64.900 62.300 -0.032 0.000 1.055 143 V CB -1.125 30.690 31.823 -0.013 0.000 0.657 143 V HN 0.951 nan 8.190 nan 0.000 0.455 144 E N 0.039 120.228 120.200 -0.019 0.000 2.047 144 E HA -0.169 4.197 4.350 0.026 0.000 0.191 144 E C 2.157 178.739 176.600 -0.029 0.000 0.987 144 E CA 1.636 58.026 56.400 -0.016 0.000 0.799 144 E CB -0.252 29.447 29.700 -0.001 0.000 0.752 144 E HN 0.737 nan 8.360 nan 0.000 0.449 145 E N 0.481 120.666 120.200 -0.026 0.000 2.038 145 E HA -0.205 4.161 4.350 0.026 0.000 0.195 145 E C 2.139 178.696 176.600 -0.071 0.000 1.000 145 E CA 1.118 57.501 56.400 -0.028 0.000 0.803 145 E CB -0.236 29.453 29.700 -0.019 0.000 0.750 145 E HN 0.193 nan 8.360 nan 0.000 0.448 146 L N 0.747 121.884 121.223 -0.143 0.000 2.043 146 L HA -0.227 4.128 4.340 0.026 0.000 0.212 146 L C 2.630 179.148 176.870 -0.587 0.000 1.075 146 L CA 1.399 56.006 54.840 -0.388 0.000 0.752 146 L CB -0.852 40.947 42.059 -0.434 0.000 0.891 146 L HN 0.219 nan 8.230 nan 0.000 0.432 147 T N -1.206 113.169 114.554 -0.297 0.000 2.684 147 T HA -0.218 4.147 4.350 0.026 0.000 0.267 147 T C 1.940 176.600 174.700 -0.067 0.000 1.036 147 T CA 1.163 63.177 62.100 -0.144 0.000 1.148 147 T CB -0.170 68.677 68.868 -0.034 0.000 0.863 147 T HN 0.287 nan 8.240 nan 0.000 0.436 148 Q N 0.116 119.896 119.800 -0.033 0.000 2.084 148 Q HA -0.038 4.317 4.340 0.026 0.000 0.202 148 Q C 2.072 178.113 176.000 0.069 0.000 0.978 148 Q CA 1.200 57.022 55.803 0.032 0.000 0.844 148 Q CB -0.677 28.090 28.738 0.049 0.000 0.898 148 Q HN 0.594 nan 8.270 nan 0.000 0.426 149 F N 0.806 120.696 119.950 -0.100 0.000 2.113 149 F HA -0.193 4.358 4.527 0.041 0.000 0.297 149 F C 1.761 177.628 175.800 0.112 0.000 1.103 149 F CA 0.901 58.875 58.000 -0.043 0.000 1.248 149 F CB -0.396 38.527 39.000 -0.128 0.000 0.999 149 F HN -0.086 nan 8.300 nan 0.000 0.475 150 F N 0.877 120.680 119.950 -0.246 0.000 2.065 150 F HA -0.222 4.314 4.527 0.015 0.000 0.298 150 F C 2.444 178.082 175.800 -0.270 0.000 1.112 150 F CA 1.211 59.024 58.000 -0.312 0.000 1.212 150 F CB -1.728 37.206 39.000 -0.110 0.000 0.975 150 F HN 0.020 nan 8.300 nan 0.000 0.476 151 L N -0.442 120.789 121.223 0.014 0.000 2.042 151 L HA -0.238 4.118 4.340 0.026 0.000 0.210 151 L C 2.736 179.490 176.870 -0.192 0.000 1.076 151 L CA 1.496 56.278 54.840 -0.095 0.000 0.749 151 L CB -0.658 41.362 42.059 -0.066 0.000 0.893 151 L HN 0.097 nan 8.230 nan 0.000 0.432 152 R N 0.579 121.027 120.500 -0.087 0.000 2.103 152 R HA -0.207 4.149 4.340 0.026 0.000 0.242 152 R C 1.966 178.213 176.300 -0.088 0.000 1.142 152 R CA 1.886 57.996 56.100 0.017 0.000 0.960 152 R CB -0.141 30.231 30.300 0.120 0.000 0.858 152 R HN 0.478 nan 8.270 nan 0.000 0.439 153 E N -0.252 119.828 120.200 -0.201 0.000 2.285 153 E HA -0.087 4.279 4.350 0.026 0.000 0.194 153 E C 2.003 178.514 176.600 -0.148 0.000 0.997 153 E CA 0.796 57.089 56.400 -0.179 0.000 0.845 153 E CB 0.102 29.625 29.700 -0.294 0.000 0.782 153 E HN 0.454 nan 8.360 nan 0.000 0.491 154 I N 0.723 121.184 120.570 -0.181 0.000 2.400 154 I HA -0.210 3.976 4.170 0.026 0.000 0.248 154 I C 2.238 178.229 176.117 -0.211 0.000 1.109 154 I CA 1.060 62.253 61.300 -0.177 0.000 1.425 154 I CB 0.054 37.952 38.000 -0.171 0.000 1.094 154 I HN 0.003 nan 8.210 nan 0.000 0.425 155 Q N -1.003 118.583 119.800 -0.356 0.000 2.349 155 Q HA 0.018 4.373 4.340 0.026 0.000 0.209 155 Q C 1.457 177.221 176.000 -0.394 0.000 0.920 155 Q CA 0.892 56.397 55.803 -0.497 0.000 0.901 155 Q CB 0.355 28.582 28.738 -0.852 0.000 1.021 155 Q HN 0.435 nan 8.270 nan 0.000 0.519 156 Y N -0.524 119.762 120.300 -0.023 0.000 2.594 156 Y HA 0.453 5.017 4.550 0.023 0.000 0.283 156 Y C 1.035 176.929 175.900 -0.009 0.000 1.140 156 Y CA 0.430 58.523 58.100 -0.012 0.000 1.261 156 Y CB 0.656 39.113 38.460 -0.004 0.000 1.358 156 Y HN 0.046 nan 8.280 nan 0.000 0.513 157 G N -0.033 108.833 108.800 0.110 0.000 2.317 157 G HA2 0.128 4.103 3.960 0.026 0.000 0.445 157 G HA3 0.128 4.103 3.960 0.026 0.000 0.445 157 G C -1.573 173.365 174.900 0.063 0.000 1.486 157 G CA -1.124 44.014 45.100 0.063 0.000 0.991 157 G HN 0.010 nan 8.290 nan 0.000 0.660 158 I N 1.950 122.551 120.570 0.051 0.000 2.395 158 I HA 0.367 4.552 4.170 0.026 0.000 0.289 158 I C 1.093 177.271 176.117 0.102 0.000 1.023 158 I CA 0.237 61.581 61.300 0.072 0.000 1.350 158 I CB 1.012 39.051 38.000 0.066 0.000 1.409 158 I HN 0.979 nan 8.210 nan 0.000 0.507 159 E N 3.383 123.667 120.200 0.139 0.000 3.259 159 E HA -0.322 4.043 4.350 0.026 0.000 0.332 159 E C -0.031 176.630 176.600 0.101 0.000 1.477 159 E CA 1.684 58.165 56.400 0.135 0.000 1.742 159 E CB -0.503 29.276 29.700 0.131 0.000 1.842 159 E HN 0.927 nan 8.360 nan 0.000 0.499 160 D N 0.278 120.727 120.400 0.082 0.000 2.463 160 D HA 0.044 4.699 4.640 0.026 0.000 0.224 160 D C 0.994 177.327 176.300 0.055 0.000 1.174 160 D CA 0.933 54.971 54.000 0.063 0.000 0.829 160 D CB -0.152 40.680 40.800 0.053 0.000 0.993 160 D HN 0.412 nan 8.370 nan 0.000 0.497 161 T N -4.601 109.988 114.554 0.058 0.000 3.057 161 T HA 0.302 4.667 4.350 0.026 0.000 0.254 161 T C 1.881 176.607 174.700 0.042 0.000 1.094 161 T CA 0.599 62.728 62.100 0.047 0.000 1.088 161 T CB -0.120 68.776 68.868 0.047 0.000 0.934 161 T HN 0.301 nan 8.240 nan 0.000 0.497 162 G N 1.693 110.522 108.800 0.049 0.000 2.220 162 G HA2 -0.251 3.725 3.960 0.026 0.000 0.269 162 G HA3 -0.251 3.725 3.960 0.026 0.000 0.269 162 G C 0.123 175.044 174.900 0.035 0.000 0.977 162 G CA 0.277 45.405 45.100 0.046 0.000 0.634 162 G HN 0.679 nan 8.290 nan 0.000 0.539 163 I N 1.948 122.537 120.570 0.031 0.000 2.436 163 I HA 0.222 4.408 4.170 0.026 0.000 0.289 163 I C 1.046 177.166 176.117 0.006 0.000 1.083 163 I CA -0.165 61.146 61.300 0.018 0.000 1.372 163 I CB 0.433 38.445 38.000 0.021 0.000 1.408 163 I HN 0.062 nan 8.210 nan 0.000 0.516 164 R N 5.411 125.904 120.500 -0.012 0.000 2.368 164 R HA 0.621 4.976 4.340 0.026 0.000 0.302 164 R C -0.142 176.125 176.300 -0.054 0.000 1.002 164 R CA -0.760 55.317 56.100 -0.038 0.000 0.929 164 R CB 1.498 31.769 30.300 -0.049 0.000 1.073 164 R HN 0.691 nan 8.270 nan 0.000 0.464 165 A N 1.327 124.102 122.820 -0.075 0.000 2.462 165 A HA 0.333 4.668 4.320 0.026 0.000 0.243 165 A C 1.029 178.549 177.584 -0.108 0.000 1.076 165 A CA 0.075 52.059 52.037 -0.090 0.000 0.773 165 A CB 0.385 19.317 19.000 -0.114 0.000 1.010 165 A HN 0.926 nan 8.150 nan 0.000 0.493 166 G N 0.528 109.262 108.800 -0.109 0.000 3.575 166 G HA2 0.469 4.445 3.960 0.026 0.000 0.273 166 G HA3 0.469 4.445 3.960 0.026 0.000 0.273 166 G C -0.068 174.732 174.900 -0.168 0.000 1.053 166 G CA 0.254 45.276 45.100 -0.131 0.000 0.803 166 G HN 0.722 nan 8.290 nan 0.000 0.528 167 I N -0.641 119.830 120.570 -0.166 0.000 3.021 167 I HA 0.519 4.705 4.170 0.026 0.000 0.305 167 I C -1.507 174.498 176.117 -0.186 0.000 1.434 167 I CA -1.117 60.068 61.300 -0.192 0.000 0.969 167 I CB 2.341 40.250 38.000 -0.152 0.000 1.328 167 I HN -0.094 nan 8.210 nan 0.000 0.486 171 A N 0.822 123.820 122.820 0.296 0.000 2.547 171 A HA 1.025 5.361 4.320 0.026 0.000 0.297 171 A C -0.368 177.343 177.584 0.212 0.000 1.056 171 A CA -0.009 52.226 52.037 0.329 0.000 0.688 171 A CB 1.776 20.986 19.000 0.350 0.000 1.282 171 A HN 2.496 nan 8.150 nan 0.000 0.400 172 T N -1.388 113.285 114.554 0.198 0.000 2.930 172 T HA 0.805 5.171 4.350 0.026 0.000 0.290 172 T C -0.214 174.529 174.700 0.072 0.000 1.052 172 T CA -0.045 62.107 62.100 0.087 0.000 1.017 172 T CB 1.714 70.602 68.868 0.033 0.000 1.137 172 T HN 1.518 nan 8.240 nan 0.000 0.511 173 T N -1.357 113.155 114.554 -0.071 0.000 3.418 173 T HA 0.676 5.041 4.350 0.026 0.000 0.315 173 T C 0.703 175.347 174.700 -0.093 0.000 1.447 173 T CA -0.041 61.989 62.100 -0.116 0.000 1.641 173 T CB -0.230 68.407 68.868 -0.383 0.000 0.904 173 T HN 1.966 nan 8.240 nan 0.000 0.640 174 G N 2.089 110.857 108.800 -0.054 0.000 2.548 174 G HA2 -0.007 3.968 3.960 0.026 0.000 0.208 174 G HA3 -0.007 3.968 3.960 0.026 0.000 0.208 174 G C -0.583 174.289 174.900 -0.047 0.000 1.308 174 G CA -0.621 44.445 45.100 -0.056 0.000 0.924 174 G HN 0.861 nan 8.290 nan 0.000 0.540 175 K N 1.046 121.419 120.400 -0.045 0.000 2.484 175 K HA 0.579 4.915 4.320 0.026 0.000 0.280 175 K C 0.929 177.510 176.600 -0.032 0.000 1.013 175 K CA 0.964 57.227 56.287 -0.039 0.000 1.029 175 K CB 0.254 32.734 32.500 -0.033 0.000 0.902 175 K HN 1.782 nan 8.250 nan 0.000 0.481 176 A N 4.275 127.075 122.820 -0.033 0.000 2.546 176 A HA 0.148 4.483 4.320 0.026 0.000 0.243 176 A C 0.368 177.950 177.584 -0.003 0.000 1.063 176 A CA 0.402 52.426 52.037 -0.022 0.000 0.757 176 A CB -0.693 18.282 19.000 -0.042 0.000 0.991 176 A HN 0.924 nan 8.150 nan 0.000 0.503 177 T N 0.999 115.566 114.554 0.022 0.000 2.748 177 T HA 0.319 4.685 4.350 0.026 0.000 0.304 177 T C -1.789 172.946 174.700 0.058 0.000 1.041 177 T CA -0.815 61.314 62.100 0.048 0.000 1.033 177 T CB 0.238 69.160 68.868 0.089 0.000 0.995 177 T HN 0.365 nan 8.240 nan 0.000 0.536 178 P HA 0.001 nan 4.420 nan 0.000 0.218 178 P C 1.166 178.534 177.300 0.113 0.000 1.149 178 P CA 0.531 63.675 63.100 0.073 0.000 0.817 178 P CB -0.112 31.635 31.700 0.077 0.000 0.785 179 F N 0.783 120.750 119.950 0.028 0.000 2.113 179 F HA -0.148 4.399 4.527 0.032 0.000 0.297 179 F C 2.126 177.965 175.800 0.066 0.000 1.103 179 F CA 1.566 59.593 58.000 0.045 0.000 1.248 179 F CB -0.904 38.125 39.000 0.049 0.000 0.999 179 F HN -0.142 nan 8.300 nan 0.000 0.475 180 Q N 0.194 119.987 119.800 -0.012 0.000 2.135 180 Q HA -0.240 4.116 4.340 0.026 0.000 0.204 180 Q C 2.034 177.967 176.000 -0.112 0.000 0.981 180 Q CA 2.088 57.840 55.803 -0.085 0.000 0.856 180 Q CB -0.348 28.408 28.738 0.030 0.000 0.902 180 Q HN 0.576 nan 8.270 nan 0.000 0.425 181 E N 0.570 120.723 120.200 -0.078 0.000 2.085 181 E HA -0.196 4.169 4.350 0.026 0.000 0.194 181 E C 2.036 178.584 176.600 -0.086 0.000 0.994 181 E CA 1.020 57.375 56.400 -0.075 0.000 0.801 181 E CB -0.179 29.495 29.700 -0.043 0.000 0.743 181 E HN 0.359 nan 8.360 nan 0.000 0.453 182 L N 0.626 121.769 121.223 -0.135 0.000 2.046 182 L HA -0.185 4.171 4.340 0.026 0.000 0.208 182 L C 2.547 179.322 176.870 -0.159 0.000 1.077 182 L CA 0.788 55.543 54.840 -0.142 0.000 0.747 182 L CB -0.616 41.342 42.059 -0.169 0.000 0.896 182 L HN 0.065 nan 8.230 nan 0.000 0.432 183 V N 0.058 119.797 119.914 -0.293 0.000 2.255 183 V HA -0.298 3.837 4.120 0.026 0.000 0.247 183 V C 2.466 178.653 176.094 0.155 0.000 1.051 183 V CA 1.707 63.964 62.300 -0.071 0.000 1.018 183 V CB -0.378 31.375 31.823 -0.117 0.000 0.641 183 V HN 0.252 nan 8.190 nan 0.000 0.445 184 L N -0.478 120.796 121.223 0.087 0.000 2.083 184 L HA -0.171 4.184 4.340 0.026 0.000 0.209 184 L C 2.380 179.401 176.870 0.252 0.000 1.083 184 L CA 1.896 56.850 54.840 0.190 0.000 0.752 184 L CB -0.694 41.322 42.059 -0.073 0.000 0.899 184 L HN 0.251 nan 8.230 nan 0.000 0.433 185 K N -0.946 119.528 120.400 0.124 0.000 2.057 185 K HA -0.108 4.227 4.320 0.026 0.000 0.207 185 K C 2.182 178.873 176.600 0.152 0.000 1.049 185 K CA 1.307 57.669 56.287 0.125 0.000 0.931 185 K CB -0.340 32.192 32.500 0.053 0.000 0.714 185 K HN 0.322 nan 8.250 nan 0.000 0.440 186 A N 1.385 124.293 122.820 0.147 0.000 1.898 186 A HA -0.096 4.239 4.320 0.026 0.000 0.216 186 A C 2.355 180.152 177.584 0.355 0.000 1.181 186 A CA 1.742 53.878 52.037 0.164 0.000 0.620 186 A CB -0.747 18.247 19.000 -0.009 0.000 0.819 186 A HN 0.325 nan 8.150 nan 0.000 0.442 187 A N 0.132 123.224 122.820 0.453 0.000 1.873 187 A HA 0.057 4.392 4.320 0.026 0.000 0.218 187 A C 2.549 180.219 177.584 0.144 0.000 1.193 187 A CA 2.507 54.711 52.037 0.277 0.000 0.629 187 A CB -1.213 17.904 19.000 0.194 0.000 0.826 187 A HN 1.149 nan 8.150 nan 0.000 0.447 188 A N -0.367 122.568 122.820 0.190 0.000 1.908 188 A HA -0.207 4.128 4.320 0.026 0.000 0.218 188 A C 2.252 179.884 177.584 0.079 0.000 1.181 188 A CA 1.753 53.861 52.037 0.119 0.000 0.627 188 A CB -0.487 18.668 19.000 0.258 0.000 0.818 188 A HN 0.590 nan 8.150 nan 0.000 0.445 189 R N -0.605 119.956 120.500 0.103 0.000 2.075 189 R HA -0.019 4.336 4.340 0.026 0.000 0.232 189 R C 2.507 178.836 176.300 0.049 0.000 1.126 189 R CA 1.137 57.277 56.100 0.067 0.000 0.963 189 R CB -0.491 29.847 30.300 0.063 0.000 0.858 189 R HN 0.503 nan 8.270 nan 0.000 0.435 190 A N 0.477 123.346 122.820 0.082 0.000 1.908 190 A HA -0.214 4.121 4.320 0.026 0.000 0.218 190 A C 2.207 179.782 177.584 -0.015 0.000 1.181 190 A CA 1.985 54.054 52.037 0.054 0.000 0.627 190 A CB -0.660 18.423 19.000 0.139 0.000 0.818 190 A HN 0.320 nan 8.150 nan 0.000 0.445 191 S N -0.703 114.977 115.700 -0.034 0.000 2.368 191 S HA -0.056 4.429 4.470 0.026 0.000 0.224 191 S C 1.936 176.493 174.600 -0.072 0.000 1.029 191 S CA 1.248 59.396 58.200 -0.087 0.000 0.988 191 S CB -0.469 62.655 63.200 -0.128 0.000 0.838 191 S HN 0.483 nan 8.310 nan 0.000 0.462 192 L N 0.860 122.059 121.223 -0.041 0.000 2.079 192 L HA -0.086 4.270 4.340 0.026 0.000 0.210 192 L C 2.807 179.658 176.870 -0.033 0.000 1.081 192 L CA 1.360 56.182 54.840 -0.030 0.000 0.752 192 L CB -0.500 41.556 42.059 -0.005 0.000 0.896 192 L HN 0.445 nan 8.230 nan 0.000 0.433 193 A N -0.967 121.835 122.820 -0.030 0.000 1.975 193 A HA -0.106 4.229 4.320 0.026 0.000 0.215 193 A C 2.232 179.785 177.584 -0.052 0.000 1.170 193 A CA 1.652 53.669 52.037 -0.033 0.000 0.656 193 A CB -0.416 18.570 19.000 -0.024 0.000 0.821 193 A HN 0.485 nan 8.150 nan 0.000 0.449 194 T N -6.255 108.257 114.554 -0.069 0.000 2.969 194 T HA 0.426 4.791 4.350 0.026 0.000 0.250 194 T C 1.476 176.117 174.700 -0.097 0.000 1.021 194 T CA 1.129 63.175 62.100 -0.090 0.000 1.003 194 T CB 0.407 69.209 68.868 -0.110 0.000 1.040 194 T HN 1.612 nan 8.240 nan 0.000 0.492 195 G N 1.052 109.793 108.800 -0.099 0.000 2.176 195 G HA2 -0.237 3.738 3.960 0.026 0.000 0.253 195 G HA3 -0.237 3.738 3.960 0.026 0.000 0.253 195 G C 0.128 174.934 174.900 -0.157 0.000 0.979 195 G CA 0.043 45.075 45.100 -0.113 0.000 0.641 195 G HN 0.713 nan 8.290 nan 0.000 0.530 196 V N 3.686 123.499 119.914 -0.168 0.000 2.614 196 V HA 0.416 4.551 4.120 0.026 0.000 0.291 196 V C -0.823 175.106 176.094 -0.276 0.000 1.049 196 V CA -0.776 61.392 62.300 -0.219 0.000 1.038 196 V CB 1.427 33.138 31.823 -0.188 0.000 0.980 196 V HN 0.276 nan 8.190 nan 0.000 0.481 197 P HA 0.294 nan 4.420 nan 0.000 0.276 197 P C -1.000 176.096 177.300 -0.339 0.000 1.261 197 P CA -0.219 62.581 63.100 -0.501 0.000 0.800 197 P CB 1.123 32.103 31.700 -1.200 0.000 1.066 198 V N -0.184 119.599 119.914 -0.219 0.000 2.667 198 V HA 0.614 4.750 4.120 0.026 0.000 0.308 198 V C 0.434 176.577 176.094 0.082 0.000 1.048 198 V CA -0.228 61.988 62.300 -0.140 0.000 0.928 198 V CB 1.640 33.261 31.823 -0.336 0.000 1.004 198 V HN 0.684 nan 8.190 nan 0.000 0.444 199 T N 2.000 116.614 114.554 0.099 0.000 2.909 199 T HA 0.690 5.055 4.350 0.026 0.000 0.299 199 T C -0.623 174.167 174.700 0.151 0.000 1.073 199 T CA -0.153 62.050 62.100 0.173 0.000 0.999 199 T CB 1.706 70.702 68.868 0.213 0.000 1.098 199 T HN 1.080 nan 8.240 nan 0.000 0.477 200 T N 0.900 115.541 114.554 0.145 0.000 2.893 200 T HA 0.555 4.921 4.350 0.026 0.000 0.291 200 T C -0.685 174.071 174.700 0.093 0.000 1.028 200 T CA -0.728 61.477 62.100 0.176 0.000 0.995 200 T CB 1.196 70.191 68.868 0.211 0.000 1.051 200 T HN 0.766 nan 8.240 nan 0.000 0.470 201 H N 1.721 120.855 119.070 0.106 0.000 2.580 201 H HA 0.582 5.158 4.556 0.033 0.000 0.322 201 H C 0.258 175.635 175.328 0.081 0.000 1.082 201 H CA 0.019 56.098 56.048 0.052 0.000 1.383 201 H CB 0.863 30.883 29.762 0.430 0.000 1.450 201 H HN 0.992 nan 8.280 nan 0.000 0.505 202 T N 1.830 116.218 114.554 -0.276 0.000 2.916 202 T HA 0.642 5.007 4.350 0.026 0.000 0.292 202 T C -0.268 174.333 174.700 -0.165 0.000 1.055 202 T CA -0.827 61.219 62.100 -0.090 0.000 1.009 202 T CB 1.536 70.387 68.868 -0.027 0.000 1.118 202 T HN 0.756 nan 8.240 nan 0.000 0.497 203 A N 1.204 124.009 122.820 -0.027 0.000 2.666 203 A HA 0.674 5.009 4.320 0.026 0.000 0.312 203 A C 1.626 179.175 177.584 -0.059 0.000 1.471 203 A CA -0.215 51.803 52.037 -0.032 0.000 1.134 203 A CB -0.897 18.087 19.000 -0.025 0.000 1.129 203 A HN 1.293 nan 8.150 nan 0.000 0.539 204 A N 2.068 124.859 122.820 -0.048 0.000 1.940 204 A HA -0.121 4.215 4.320 0.026 0.000 0.219 204 A C 2.403 179.858 177.584 -0.215 0.000 1.176 204 A CA 2.187 54.186 52.037 -0.064 0.000 0.631 204 A CB -0.697 18.318 19.000 0.026 0.000 0.814 204 A HN 1.417 nan 8.150 nan 0.000 0.446 205 S N -0.723 114.893 115.700 -0.139 0.000 2.474 205 S HA -0.144 4.342 4.470 0.026 0.000 0.235 205 S C 1.457 175.946 174.600 -0.185 0.000 0.997 205 S CA 1.210 59.321 58.200 -0.147 0.000 0.949 205 S CB -0.308 62.846 63.200 -0.077 0.000 0.766 205 S HN 0.711 nan 8.310 nan 0.000 0.517 206 Q N 0.339 120.031 119.800 -0.179 0.000 2.220 206 Q HA 0.324 4.680 4.340 0.026 0.000 0.205 206 Q C -0.321 175.544 176.000 -0.225 0.000 0.865 206 Q CA -0.339 55.365 55.803 -0.166 0.000 0.960 206 Q CB 0.171 28.846 28.738 -0.105 0.000 1.097 206 Q HN 0.476 nan 8.270 nan 0.000 0.493 207 R N 0.268 120.519 120.500 -0.415 0.000 3.758 207 R HA -0.209 4.146 4.340 0.026 0.000 0.299 207 R C -0.161 176.067 176.300 -0.120 0.000 1.182 207 R CA 0.597 56.347 56.100 -0.584 0.000 0.809 207 R CB -1.661 28.375 30.300 -0.440 0.000 1.249 207 R HN 0.306 nan 8.270 nan 0.000 0.497 208 D N 0.016 120.377 120.400 -0.066 0.000 2.191 208 D HA -0.170 4.485 4.640 0.026 0.000 0.195 208 D C 2.020 178.339 176.300 0.032 0.000 1.003 208 D CA 1.905 55.901 54.000 -0.008 0.000 0.867 208 D CB -0.375 40.425 40.800 0.001 0.000 0.926 208 D HN 0.627 nan 8.370 nan 0.000 0.450 209 G N 0.341 109.232 108.800 0.151 0.000 2.450 209 G HA2 -0.294 3.681 3.960 0.026 0.000 0.220 209 G HA3 -0.294 3.681 3.960 0.026 0.000 0.220 209 G C 1.489 176.353 174.900 -0.059 0.000 1.130 209 G CA 0.767 45.893 45.100 0.044 0.000 0.760 209 G HN 0.327 nan 8.290 nan 0.000 0.557 210 E N -0.386 119.850 120.200 0.061 0.000 2.051 210 E HA -0.158 4.208 4.350 0.026 0.000 0.192 210 E C 2.439 178.998 176.600 -0.069 0.000 0.991 210 E CA 1.054 57.448 56.400 -0.010 0.000 0.799 210 E CB -0.156 29.582 29.700 0.063 0.000 0.748 210 E HN 0.567 nan 8.360 nan 0.000 0.449 211 Q N 0.725 120.483 119.800 -0.070 0.000 2.079 211 Q HA -0.219 4.136 4.340 0.026 0.000 0.200 211 Q C 2.170 178.051 176.000 -0.199 0.000 0.974 211 Q CA 1.294 57.033 55.803 -0.106 0.000 0.840 211 Q CB 0.122 28.808 28.738 -0.087 0.000 0.898 211 Q HN 0.313 nan 8.270 nan 0.000 0.430 212 Q N -0.015 119.641 119.800 -0.241 0.000 2.045 212 Q HA -0.230 4.126 4.340 0.026 0.000 0.206 212 Q C 2.131 177.785 176.000 -0.577 0.000 0.991 212 Q CA 1.662 57.176 55.803 -0.481 0.000 0.851 212 Q CB -0.350 28.219 28.738 -0.282 0.000 0.911 212 Q HN 0.470 nan 8.270 nan 0.000 0.418 213 A N 1.265 123.913 122.820 -0.287 0.000 1.883 213 A HA -0.204 4.131 4.320 0.026 0.000 0.217 213 A C 2.361 179.943 177.584 -0.003 0.000 1.186 213 A CA 1.888 53.843 52.037 -0.135 0.000 0.624 213 A CB -0.991 17.753 19.000 -0.427 0.000 0.822 213 A HN 0.440 nan 8.150 nan 0.000 0.444 214 A N -0.360 122.416 122.820 -0.073 0.000 1.940 214 A HA -0.095 4.241 4.320 0.026 0.000 0.219 214 A C 2.138 179.703 177.584 -0.032 0.000 1.176 214 A CA 1.604 53.627 52.037 -0.022 0.000 0.631 214 A CB -0.581 18.396 19.000 -0.038 0.000 0.814 214 A HN 0.523 nan 8.150 nan 0.000 0.446 215 I N -1.697 118.785 120.570 -0.146 0.000 2.202 215 I HA -0.197 3.988 4.170 0.026 0.000 0.242 215 I C 2.163 178.269 176.117 -0.019 0.000 1.091 215 I CA 1.057 62.269 61.300 -0.147 0.000 1.368 215 I CB -0.356 37.471 38.000 -0.289 0.000 1.058 215 I HN 0.271 nan 8.210 nan 0.000 0.410 216 F N 1.365 121.354 119.950 0.065 0.000 2.134 216 F HA -0.194 4.347 4.527 0.023 0.000 0.299 216 F C 2.519 178.372 175.800 0.088 0.000 1.097 216 F CA 1.244 59.298 58.000 0.090 0.000 1.264 216 F CB -1.031 38.055 39.000 0.144 0.000 1.001 216 F HN 0.126 nan 8.300 nan 0.000 0.479 217 E N -0.206 120.162 120.200 0.280 0.000 2.150 217 E HA -0.156 4.210 4.350 0.026 0.000 0.193 217 E C 2.279 178.949 176.600 0.115 0.000 0.985 217 E CA 1.330 57.839 56.400 0.182 0.000 0.814 217 E CB -0.330 29.472 29.700 0.169 0.000 0.752 217 E HN 0.402 nan 8.360 nan 0.000 0.466 218 S N 0.941 116.698 115.700 0.095 0.000 2.442 218 S HA -0.128 4.357 4.470 0.026 0.000 0.236 218 S C 1.587 176.228 174.600 0.068 0.000 1.007 218 S CA 0.852 59.090 58.200 0.063 0.000 0.965 218 S CB 0.022 63.246 63.200 0.039 0.000 0.773 218 S HN 0.123 nan 8.310 nan 0.000 0.504 219 E N 0.490 120.748 120.200 0.098 0.000 2.481 219 E HA 0.234 4.600 4.350 0.026 0.000 0.198 219 E C 1.273 177.919 176.600 0.078 0.000 1.027 219 E CA 0.496 56.950 56.400 0.091 0.000 0.900 219 E CB 0.266 30.040 29.700 0.124 0.000 0.993 219 E HN 0.698 nan 8.360 nan 0.000 0.482 220 G N 1.982 110.830 108.800 0.080 0.000 2.143 220 G HA2 -0.280 3.696 3.960 0.026 0.000 0.248 220 G HA3 -0.280 3.696 3.960 0.026 0.000 0.248 220 G C 0.094 175.023 174.900 0.048 0.000 0.991 220 G CA 0.379 45.513 45.100 0.056 0.000 0.689 220 G HN 0.240 nan 8.290 nan 0.000 0.522 221 L N 1.967 123.235 121.223 0.074 0.000 2.416 221 L HA 0.627 4.982 4.340 0.026 0.000 0.272 221 L C 0.890 177.770 176.870 0.016 0.000 1.161 221 L CA -0.016 54.846 54.840 0.036 0.000 0.845 221 L CB 0.881 42.967 42.059 0.046 0.000 1.119 221 L HN 0.177 nan 8.230 nan 0.000 0.464 222 S N 6.886 122.565 115.700 -0.036 0.000 2.537 222 S HA 0.084 4.570 4.470 0.026 0.000 0.286 222 S C -1.584 172.928 174.600 -0.148 0.000 1.299 222 S CA -0.537 57.614 58.200 -0.081 0.000 1.067 222 S CB 0.621 63.773 63.200 -0.080 0.000 0.864 222 S HN 0.611 nan 8.310 nan 0.000 0.494 223 P HA -0.127 nan 4.420 nan 0.000 0.216 223 P C 1.513 178.561 177.300 -0.420 0.000 1.150 223 P CA 1.084 63.731 63.100 -0.754 0.000 0.837 223 P CB -0.051 30.933 31.700 -1.193 0.000 0.786 224 S N -1.391 114.170 115.700 -0.231 0.000 2.537 224 S HA -0.069 4.416 4.470 0.026 0.000 0.240 224 S C 1.745 176.356 174.600 0.019 0.000 0.981 224 S CA 0.615 58.766 58.200 -0.082 0.000 0.948 224 S CB -0.727 62.436 63.200 -0.061 0.000 0.759 224 S HN 0.028 nan 8.310 nan 0.000 0.531 225 R N 0.661 121.142 120.500 -0.033 0.000 2.299 225 R HA 0.318 4.674 4.340 0.026 0.000 0.197 225 R C -0.229 176.123 176.300 0.086 0.000 0.971 225 R CA 0.150 56.232 56.100 -0.030 0.000 1.030 225 R CB -0.191 30.039 30.300 -0.117 0.000 0.932 225 R HN 0.370 nan 8.270 nan 0.000 0.477 226 V N 0.456 120.469 119.914 0.165 0.000 2.540 226 V HA 0.219 4.354 4.120 0.026 0.000 0.302 226 V C -0.378 175.871 176.094 0.259 0.000 1.035 226 V CA -1.186 61.234 62.300 0.200 0.000 0.873 226 V CB 2.368 34.314 31.823 0.204 0.000 0.992 226 V HN 0.100 nan 8.190 nan 0.000 0.428 227 C N 7.079 126.489 119.300 0.184 0.000 2.281 227 C HA 0.595 5.071 4.460 0.026 0.000 0.325 227 C C -0.179 174.828 174.990 0.028 0.000 1.282 227 C CA -0.653 58.333 59.018 -0.054 0.000 1.640 227 C CB -0.404 27.141 27.740 -0.325 0.000 2.288 227 C HN 0.699 nan 8.230 nan 0.000 0.507 228 I N 6.762 127.329 120.570 -0.005 0.000 2.291 228 I HA 0.327 4.513 4.170 0.026 0.000 0.292 228 I C 1.100 177.168 176.117 -0.081 0.000 1.064 228 I CA 0.492 61.777 61.300 -0.025 0.000 1.269 228 I CB 0.138 38.087 38.000 -0.085 0.000 1.418 228 I HN 0.897 nan 8.210 nan 0.000 0.485 229 G N 4.556 113.285 108.800 -0.119 0.000 2.531 229 G HA2 0.324 4.299 3.960 0.026 0.000 0.313 229 G HA3 0.324 4.299 3.960 0.026 0.000 0.313 229 G C 0.166 174.868 174.900 -0.331 0.000 1.238 229 G CA -0.357 44.588 45.100 -0.258 0.000 0.994 229 G HN 0.746 nan 8.290 nan 0.000 0.493 230 H N -1.074 117.766 119.070 -0.383 0.000 2.636 230 H HA -0.145 4.425 4.556 0.023 0.000 0.312 230 H C 1.777 176.967 175.328 -0.230 0.000 1.106 230 H CA 0.600 56.339 56.048 -0.515 0.000 1.139 230 H CB -1.727 27.646 29.762 -0.648 0.000 1.423 230 H HN 0.293 nan 8.280 nan 0.000 0.407 231 S N -0.088 115.588 115.700 -0.040 0.000 2.489 231 S HA -0.081 4.404 4.470 0.026 0.000 0.228 231 S C 1.743 176.378 174.600 0.058 0.000 0.995 231 S CA 0.673 58.893 58.200 0.033 0.000 0.934 231 S CB 0.169 63.367 63.200 -0.003 0.000 0.771 231 S HN 0.703 nan 8.310 nan 0.000 0.522 232 D N 1.234 121.659 120.400 0.042 0.000 2.371 232 D HA -0.112 4.544 4.640 0.026 0.000 0.221 232 D C 0.493 176.846 176.300 0.087 0.000 0.986 232 D CA 0.515 54.560 54.000 0.075 0.000 0.899 232 D CB -0.330 40.526 40.800 0.094 0.000 0.902 232 D HN 0.158 nan 8.370 nan 0.000 0.530 233 D N 0.288 120.739 120.400 0.084 0.000 2.309 233 D HA -0.067 4.588 4.640 0.026 0.000 0.212 233 D C 0.750 177.081 176.300 0.053 0.000 0.968 233 D CA 0.837 54.885 54.000 0.081 0.000 0.882 233 D CB -0.067 40.781 40.800 0.081 0.000 0.918 233 D HN 0.220 nan 8.370 nan 0.000 0.503 234 T N -0.610 113.979 114.554 0.059 0.000 2.929 234 T HA 0.136 4.501 4.350 0.026 0.000 0.284 234 T C 0.270 175.003 174.700 0.056 0.000 1.014 234 T CA -0.771 61.354 62.100 0.041 0.000 1.051 234 T CB 1.304 70.195 68.868 0.039 0.000 1.028 234 T HN -0.236 nan 8.240 nan 0.000 0.485 235 D N 1.250 121.672 120.400 0.038 0.000 2.349 235 D HA 0.072 4.727 4.640 0.026 0.000 0.214 235 D C -0.009 176.322 176.300 0.051 0.000 1.063 235 D CA 0.067 54.093 54.000 0.043 0.000 0.847 235 D CB 0.259 41.075 40.800 0.028 0.000 0.933 235 D HN 0.529 nan 8.370 nan 0.000 0.513 236 D N 1.694 122.130 120.400 0.060 0.000 2.398 236 D HA -0.045 4.610 4.640 0.026 0.000 0.250 236 D C 1.373 177.748 176.300 0.125 0.000 1.287 236 D CA -0.220 53.829 54.000 0.082 0.000 0.992 236 D CB 0.600 41.441 40.800 0.068 0.000 1.071 236 D HN -0.040 nan 8.370 nan 0.000 0.514 237 L N 3.902 125.176 121.223 0.084 0.000 2.083 237 L HA -0.180 4.176 4.340 0.026 0.000 0.209 237 L C 2.292 179.197 176.870 0.058 0.000 1.083 237 L CA 2.093 56.974 54.840 0.069 0.000 0.752 237 L CB -0.736 41.358 42.059 0.057 0.000 0.899 237 L HN 0.436 nan 8.230 nan 0.000 0.433 238 S N -1.734 114.007 115.700 0.069 0.000 2.428 238 S HA -0.256 4.230 4.470 0.026 0.000 0.230 238 S C 2.143 176.777 174.600 0.057 0.000 1.014 238 S CA 0.895 59.127 58.200 0.052 0.000 0.957 238 S CB -1.114 62.118 63.200 0.054 0.000 0.784 238 S HN 0.624 nan 8.310 nan 0.000 0.499 239 Y N 2.383 122.668 120.300 -0.026 0.000 2.224 239 Y HA 0.045 4.609 4.550 0.025 0.000 0.289 239 Y C 1.816 177.682 175.900 -0.057 0.000 1.146 239 Y CA 1.356 59.432 58.100 -0.039 0.000 1.182 239 Y CB -0.430 38.009 38.460 -0.036 0.000 0.983 239 Y HN 0.238 nan 8.280 nan 0.000 0.524 240 L N -0.098 120.986 121.223 -0.231 0.000 2.027 240 L HA -0.171 4.185 4.340 0.026 0.000 0.206 240 L C 2.687 179.375 176.870 -0.303 0.000 1.074 240 L CA 1.907 56.548 54.840 -0.331 0.000 0.745 240 L CB -1.256 40.725 42.059 -0.130 0.000 0.898 240 L HN 0.376 nan 8.230 nan 0.000 0.433 241 T N -2.167 112.260 114.554 -0.213 0.000 2.788 241 T HA -0.118 4.247 4.350 0.026 0.000 0.268 241 T C 1.971 176.461 174.700 -0.351 0.000 1.044 241 T CA 0.931 62.841 62.100 -0.316 0.000 1.139 241 T CB -0.403 68.415 68.868 -0.083 0.000 0.867 241 T HN 0.301 nan 8.240 nan 0.000 0.454 242 A N 1.829 124.531 122.820 -0.196 0.000 1.883 242 A HA 0.102 4.438 4.320 0.026 0.000 0.217 242 A C 2.463 179.957 177.584 -0.150 0.000 1.186 242 A CA 1.498 53.456 52.037 -0.131 0.000 0.624 242 A CB -0.973 17.985 19.000 -0.070 0.000 0.822 242 A HN 0.541 nan 8.150 nan 0.000 0.444 243 L N -0.946 120.143 121.223 -0.223 0.000 2.056 243 L HA -0.175 4.180 4.340 0.026 0.000 0.207 243 L C 3.121 179.951 176.870 -0.067 0.000 1.078 243 L CA 1.004 55.764 54.840 -0.134 0.000 0.749 243 L CB -0.545 41.327 42.059 -0.311 0.000 0.901 243 L HN 0.448 nan 8.230 nan 0.000 0.433 244 A N 0.100 122.750 122.820 -0.284 0.000 1.902 244 A HA -0.200 4.136 4.320 0.026 0.000 0.217 244 A C 2.545 179.937 177.584 -0.321 0.000 1.181 244 A CA 1.731 53.543 52.037 -0.375 0.000 0.623 244 A CB -0.769 17.801 19.000 -0.718 0.000 0.818 244 A HN 0.402 nan 8.150 nan 0.000 0.443 245 A N -0.100 122.491 122.820 -0.381 0.000 1.948 245 A HA -0.219 4.116 4.320 0.026 0.000 0.220 245 A C 2.175 179.768 177.584 0.014 0.000 1.177 245 A CA 1.763 53.779 52.037 -0.034 0.000 0.636 245 A CB -0.457 18.547 19.000 0.007 0.000 0.815 245 A HN 0.568 nan 8.150 nan 0.000 0.449 246 R N -1.783 118.722 120.500 0.008 0.000 2.307 246 R HA 0.184 4.540 4.340 0.026 0.000 0.199 246 R C 1.336 177.588 176.300 -0.081 0.000 1.000 246 R CA 0.615 56.736 56.100 0.036 0.000 1.023 246 R CB -0.080 30.321 30.300 0.169 0.000 0.908 246 R HN 0.742 nan 8.270 nan 0.000 0.473 247 G N -0.928 107.815 108.800 -0.095 0.000 2.184 247 G HA2 -0.260 3.715 3.960 0.026 0.000 0.206 247 G HA3 -0.260 3.715 3.960 0.026 0.000 0.206 247 G C -0.290 174.442 174.900 -0.279 0.000 0.995 247 G CA -0.636 44.360 45.100 -0.173 0.000 0.651 247 G HN 0.190 nan 8.290 nan 0.000 0.511 248 Y N 1.100 121.368 120.300 -0.054 0.000 2.497 248 Y HA 0.455 5.020 4.550 0.026 0.000 0.334 248 Y C 1.346 177.187 175.900 -0.097 0.000 1.199 248 Y CA -0.493 57.571 58.100 -0.061 0.000 1.425 248 Y CB 0.503 38.920 38.460 -0.072 0.000 1.291 248 Y HN 0.009 nan 8.280 nan 0.000 0.562 249 L N 4.846 126.082 121.223 0.022 0.000 2.397 249 L HA 0.142 4.498 4.340 0.026 0.000 0.271 249 L C -0.160 176.652 176.870 -0.097 0.000 1.148 249 L CA -0.187 54.589 54.840 -0.107 0.000 0.825 249 L CB 0.418 42.283 42.059 -0.323 0.000 1.117 249 L HN 0.484 nan 8.230 nan 0.000 0.456 250 I N 2.483 122.981 120.570 -0.120 0.000 2.330 250 I HA 0.269 4.455 4.170 0.026 0.000 0.289 250 I C 0.815 176.859 176.117 -0.120 0.000 1.001 250 I CA -0.345 60.886 61.300 -0.114 0.000 1.193 250 I CB 1.154 39.090 38.000 -0.107 0.000 1.345 250 I HN 0.566 nan 8.210 nan 0.000 0.461 251 G N 7.474 116.200 108.800 -0.122 0.000 2.457 251 G HA2 0.508 4.484 3.960 0.026 0.000 0.316 251 G HA3 0.508 4.484 3.960 0.026 0.000 0.316 251 G C -0.086 174.761 174.900 -0.089 0.000 1.030 251 G CA -0.408 44.618 45.100 -0.122 0.000 1.073 251 G HN 0.556 nan 8.290 nan 0.000 0.430 252 L N 3.114 124.309 121.223 -0.048 0.000 2.449 252 L HA 0.263 4.618 4.340 0.026 0.000 0.255 252 L C 0.143 177.026 176.870 0.022 0.000 1.167 252 L CA -0.542 54.298 54.840 -0.001 0.000 1.090 252 L CB 0.529 42.609 42.059 0.035 0.000 1.385 252 L HN 0.653 nan 8.230 nan 0.000 0.411 253 D N -2.853 117.531 120.400 -0.027 0.000 2.469 253 D HA -0.024 4.632 4.640 0.026 0.000 0.213 253 D C 1.055 177.381 176.300 0.044 0.000 1.135 253 D CA 0.013 54.009 54.000 -0.006 0.000 0.834 253 D CB 0.095 40.820 40.800 -0.126 0.000 1.009 253 D HN 0.403 nan 8.370 nan 0.000 0.507 254 H N 0.355 119.369 119.070 -0.093 0.000 2.505 254 H HA 0.193 4.764 4.556 0.024 0.000 0.286 254 H C 1.176 176.529 175.328 0.041 0.000 1.072 254 H CA -0.519 55.390 56.048 -0.231 0.000 1.141 254 H CB 0.668 30.236 29.762 -0.323 0.000 1.550 254 H HN -0.005 nan 8.280 nan 0.000 0.547 255 I N 1.924 122.637 120.570 0.239 0.000 2.113 255 I HA -0.223 3.962 4.170 0.026 0.000 0.242 255 I C -0.634 175.625 176.117 0.238 0.000 1.057 255 I CA 1.381 62.858 61.300 0.295 0.000 1.314 255 I CB -2.259 35.965 38.000 0.373 0.000 1.022 255 I HN 0.298 nan 8.210 nan 0.000 0.408 256 P HA -0.078 nan 4.420 nan 0.000 0.249 256 P C 0.345 177.594 177.300 -0.085 0.000 1.229 256 P CA 0.770 63.590 63.100 -0.466 0.000 0.788 256 P CB -0.547 30.492 31.700 -1.101 0.000 1.072 257 H N 0.550 119.585 119.070 -0.059 0.000 3.045 257 H HA 0.268 4.838 4.556 0.024 0.000 0.254 257 H C 0.040 175.342 175.328 -0.044 0.000 1.747 257 H CA -0.063 55.940 56.048 -0.075 0.000 1.444 257 H CB 0.046 29.633 29.762 -0.292 0.000 1.778 257 H HN 0.013 nan 8.280 nan 0.000 0.544 258 S N 2.059 117.786 115.700 0.045 0.000 2.718 258 S HA 0.364 4.849 4.470 0.026 0.000 0.294 258 S C 0.538 175.156 174.600 0.031 0.000 1.157 258 S CA -0.781 57.453 58.200 0.056 0.000 1.121 258 S CB 0.408 63.670 63.200 0.103 0.000 1.015 258 S HN 0.614 nan 8.310 nan 0.000 0.479 259 A N 5.590 128.424 122.820 0.024 0.000 2.863 259 A HA 0.257 4.593 4.320 0.026 0.000 0.246 259 A C 0.393 177.993 177.584 0.027 0.000 1.772 259 A CA -0.059 51.991 52.037 0.021 0.000 1.456 259 A CB -1.030 17.983 19.000 0.021 0.000 0.930 259 A HN 0.876 nan 8.150 nan 0.000 0.630 260 I N 0.372 120.962 120.570 0.033 0.000 2.371 260 I HA 0.420 4.605 4.170 0.026 0.000 0.290 260 I C 1.211 177.346 176.117 0.030 0.000 1.028 260 I CA 0.799 62.119 61.300 0.033 0.000 1.345 260 I CB 0.688 38.715 38.000 0.045 0.000 1.407 260 I HN 0.654 nan 8.210 nan 0.000 0.501 261 G N 6.004 114.818 108.800 0.024 0.000 2.298 261 G HA2 -0.250 3.725 3.960 0.026 0.000 0.287 261 G HA3 -0.250 3.725 3.960 0.026 0.000 0.287 261 G C -0.162 174.751 174.900 0.021 0.000 1.075 261 G CA 0.154 45.267 45.100 0.022 0.000 0.960 261 G HN 0.577 nan 8.290 nan 0.000 0.502 262 L N -1.520 119.716 121.223 0.020 0.000 3.693 262 L HA 0.358 4.713 4.340 0.026 0.000 0.357 262 L C 1.362 178.245 176.870 0.021 0.000 1.330 262 L CA 0.334 55.187 54.840 0.021 0.000 1.046 262 L CB 0.558 42.632 42.059 0.024 0.000 1.407 262 L HN 0.135 nan 8.230 nan 0.000 0.614 263 E N -0.326 119.885 120.200 0.018 0.000 2.418 263 E HA -0.179 4.186 4.350 0.026 0.000 0.197 263 E C 1.456 178.065 176.600 0.014 0.000 1.026 263 E CA 1.120 57.530 56.400 0.017 0.000 0.862 263 E CB -0.041 29.667 29.700 0.014 0.000 0.799 263 E HN 0.654 nan 8.360 nan 0.000 0.518 264 D N 0.159 120.566 120.400 0.013 0.000 2.228 264 D HA -0.206 4.449 4.640 0.026 0.000 0.203 264 D C 0.612 176.919 176.300 0.011 0.000 0.988 264 D CA 0.864 54.871 54.000 0.010 0.000 0.864 264 D CB -0.062 40.744 40.800 0.010 0.000 0.928 264 D HN -0.066 nan 8.370 nan 0.000 0.469 265 N N -0.383 118.326 118.700 0.016 0.000 2.564 265 N HA 0.381 5.137 4.740 0.026 0.000 0.248 265 N C 0.161 175.687 175.510 0.027 0.000 0.986 265 N CA -0.141 52.920 53.050 0.019 0.000 0.921 265 N CB 1.478 39.979 38.487 0.023 0.000 1.136 265 N HN 0.142 nan 8.380 nan 0.000 0.509 266 A N 2.294 125.127 122.820 0.022 0.000 1.930 266 A HA -0.085 4.251 4.320 0.026 0.000 0.215 266 A C 1.977 179.592 177.584 0.051 0.000 1.176 266 A CA 1.675 53.728 52.037 0.028 0.000 0.632 266 A CB -0.443 18.565 19.000 0.014 0.000 0.819 266 A HN 0.683 nan 8.150 nan 0.000 0.445 267 S N 0.132 115.863 115.700 0.052 0.000 2.428 267 S HA 0.126 4.611 4.470 0.026 0.000 0.230 267 S C 2.008 176.747 174.600 0.231 0.000 1.014 267 S CA 1.117 59.389 58.200 0.120 0.000 0.957 267 S CB -0.443 62.742 63.200 -0.024 0.000 0.784 267 S HN 0.753 nan 8.310 nan 0.000 0.499 268 A N 2.544 125.448 122.820 0.139 0.000 1.854 268 A HA 0.032 4.367 4.320 0.026 0.000 0.214 268 A C 2.514 180.137 177.584 0.065 0.000 1.192 268 A CA 1.785 53.887 52.037 0.108 0.000 0.611 268 A CB -1.334 17.706 19.000 0.068 0.000 0.832 268 A HN 0.791 nan 8.150 nan 0.000 0.442 269 S N 0.098 115.830 115.700 0.053 0.000 2.442 269 S HA 0.089 4.575 4.470 0.026 0.000 0.236 269 S C 1.905 176.533 174.600 0.046 0.000 1.007 269 S CA 1.290 59.514 58.200 0.040 0.000 0.965 269 S CB -0.414 62.805 63.200 0.032 0.000 0.773 269 S HN 0.824 nan 8.310 nan 0.000 0.504 270 A N 1.380 124.243 122.820 0.071 0.000 1.930 270 A HA 0.248 4.583 4.320 0.026 0.000 0.215 270 A C 2.133 179.762 177.584 0.075 0.000 1.176 270 A CA 1.087 53.173 52.037 0.082 0.000 0.632 270 A CB -0.766 18.303 19.000 0.116 0.000 0.819 270 A HN 0.515 nan 8.150 nan 0.000 0.445 271 L N -0.381 120.883 121.223 0.068 0.000 1.994 271 L HA -0.111 4.244 4.340 0.026 0.000 0.208 271 L C 2.210 179.059 176.870 -0.034 0.000 1.071 271 L CA 1.848 56.659 54.840 -0.049 0.000 0.745 271 L CB -0.292 41.674 42.059 -0.156 0.000 0.892 271 L HN 0.414 nan 8.230 nan 0.000 0.431 272 L N -1.872 119.342 121.223 -0.015 0.000 2.208 272 L HA 0.439 4.794 4.340 0.026 0.000 0.196 272 L C 1.002 177.877 176.870 0.008 0.000 1.130 272 L CA 0.318 55.148 54.840 -0.015 0.000 0.791 272 L CB -0.709 41.339 42.059 -0.019 0.000 0.969 272 L HN 0.375 nan 8.230 nan 0.000 0.468 273 G N -0.627 108.185 108.800 0.020 0.000 2.392 273 G HA2 -0.081 3.894 3.960 0.026 0.000 0.677 273 G HA3 -0.081 3.894 3.960 0.026 0.000 0.677 273 G C -0.458 174.459 174.900 0.029 0.000 1.334 273 G CA -0.464 44.651 45.100 0.026 0.000 0.961 273 G HN -0.047 nan 8.290 nan 0.000 0.616 274 I N 0.387 120.973 120.570 0.026 0.000 3.708 274 I HA 0.262 4.447 4.170 0.026 0.000 0.302 274 I C 1.683 177.814 176.117 0.023 0.000 1.255 274 I CA 0.106 61.420 61.300 0.024 0.000 1.362 274 I CB -0.524 37.486 38.000 0.017 0.000 1.100 274 I HN 0.531 nan 8.210 nan 0.000 0.434 275 R N 1.564 122.080 120.500 0.026 0.000 2.537 275 R HA 0.005 4.361 4.340 0.026 0.000 0.281 275 R C 0.841 177.159 176.300 0.031 0.000 0.988 275 R CA 0.221 56.336 56.100 0.025 0.000 1.077 275 R CB 0.109 30.430 30.300 0.036 0.000 0.932 275 R HN 0.356 nan 8.270 nan 0.000 0.409 276 S N 3.782 119.478 115.700 -0.006 0.000 2.593 276 S HA 0.033 4.518 4.470 0.026 0.000 0.269 276 S C 1.455 176.062 174.600 0.011 0.000 1.334 276 S CA -0.877 57.301 58.200 -0.037 0.000 1.015 276 S CB 0.589 63.692 63.200 -0.162 0.000 0.912 276 S HN 0.896 nan 8.310 nan 0.000 0.541 277 W N 1.498 122.793 121.300 -0.008 0.000 2.350 277 W HA -0.187 4.488 4.660 0.026 0.000 0.289 277 W C 1.097 177.577 176.519 -0.065 0.000 1.215 277 W CA 1.201 58.558 57.345 0.020 0.000 1.236 277 W CB -1.102 28.434 29.460 0.128 0.000 1.130 277 W HN 0.663 nan 8.180 nan 0.000 0.541 278 Q N 1.174 120.443 119.800 -0.884 0.000 2.084 278 Q HA -0.125 4.230 4.340 0.026 0.000 0.202 278 Q C 2.408 178.217 176.000 -0.317 0.000 0.978 278 Q CA 3.397 58.557 55.803 -1.072 0.000 0.844 278 Q CB -0.951 27.088 28.738 -1.164 0.000 0.898 278 Q HN 0.154 nan 8.270 nan 0.000 0.426 279 T N 0.327 114.775 114.554 -0.176 0.000 2.746 279 T HA -0.145 4.220 4.350 0.026 0.000 0.267 279 T C 1.656 176.384 174.700 0.047 0.000 1.039 279 T CA 1.384 63.466 62.100 -0.029 0.000 1.142 279 T CB -0.124 68.733 68.868 -0.020 0.000 0.866 279 T HN 0.229 nan 8.240 nan 0.000 0.444 280 R N 0.974 121.521 120.500 0.078 0.000 2.066 280 R HA 0.088 4.444 4.340 0.026 0.000 0.232 280 R C 2.846 179.248 176.300 0.170 0.000 1.131 280 R CA 1.229 57.410 56.100 0.134 0.000 0.955 280 R CB -0.489 29.918 30.300 0.177 0.000 0.851 280 R HN 0.335 nan 8.270 nan 0.000 0.432 281 A N 1.211 124.161 122.820 0.218 0.000 1.940 281 A HA -0.135 4.201 4.320 0.026 0.000 0.219 281 A C 2.115 179.872 177.584 0.288 0.000 1.176 281 A CA 1.204 53.416 52.037 0.292 0.000 0.631 281 A CB -0.548 18.686 19.000 0.389 0.000 0.814 281 A HN 0.209 nan 8.150 nan 0.000 0.446 282 L N -0.669 120.707 121.223 0.255 0.000 2.275 282 L HA -0.111 4.244 4.340 0.026 0.000 0.215 282 L C 2.289 179.238 176.870 0.131 0.000 1.119 282 L CA 0.436 55.398 54.840 0.204 0.000 0.790 282 L CB -0.352 41.806 42.059 0.164 0.000 0.919 282 L HN 0.398 nan 8.230 nan 0.000 0.443 283 L N -0.541 120.754 121.223 0.120 0.000 2.141 283 L HA -0.218 4.137 4.340 0.026 0.000 0.209 283 L C 2.381 179.306 176.870 0.091 0.000 1.094 283 L CA 1.177 56.073 54.840 0.094 0.000 0.763 283 L CB -0.291 41.819 42.059 0.085 0.000 0.908 283 L HN 0.244 nan 8.230 nan 0.000 0.437 284 I N -0.049 120.588 120.570 0.110 0.000 2.179 284 I HA -0.337 3.849 4.170 0.026 0.000 0.242 284 I C 2.663 178.829 176.117 0.082 0.000 1.088 284 I CA 1.459 62.816 61.300 0.095 0.000 1.357 284 I CB -0.338 37.732 38.000 0.116 0.000 1.051 284 I HN 0.207 nan 8.210 nan 0.000 0.409 285 K N 1.363 121.817 120.400 0.090 0.000 2.097 285 K HA -0.181 4.154 4.320 0.026 0.000 0.206 285 K C 2.207 178.837 176.600 0.050 0.000 1.049 285 K CA 1.422 57.743 56.287 0.057 0.000 0.933 285 K CB -0.123 32.401 32.500 0.040 0.000 0.717 285 K HN 0.300 nan 8.250 nan 0.000 0.442 286 A N 1.285 124.142 122.820 0.063 0.000 1.883 286 A HA -0.144 4.191 4.320 0.026 0.000 0.217 286 A C 2.109 179.742 177.584 0.082 0.000 1.186 286 A CA 1.409 53.483 52.037 0.063 0.000 0.624 286 A CB -0.646 18.393 19.000 0.064 0.000 0.822 286 A HN 0.335 nan 8.150 nan 0.000 0.444 287 L N -0.723 120.556 121.223 0.094 0.000 2.093 287 L HA -0.168 4.188 4.340 0.026 0.000 0.208 287 L C 2.481 179.430 176.870 0.131 0.000 1.085 287 L CA 1.101 56.027 54.840 0.144 0.000 0.755 287 L CB -0.475 41.648 42.059 0.108 0.000 0.904 287 L HN 0.392 nan 8.230 nan 0.000 0.435 288 I N -0.137 120.476 120.570 0.071 0.000 2.127 288 I HA -0.323 3.863 4.170 0.026 0.000 0.241 288 I C 2.061 178.180 176.117 0.003 0.000 1.075 288 I CA 1.352 62.671 61.300 0.032 0.000 1.334 288 I CB -0.421 37.591 38.000 0.019 0.000 1.040 288 I HN 0.247 nan 8.210 nan 0.000 0.405 289 D N 0.422 120.830 120.400 0.012 0.000 2.221 289 D HA -0.175 4.480 4.640 0.026 0.000 0.204 289 D C 2.055 178.342 176.300 -0.021 0.000 0.982 289 D CA 1.029 55.026 54.000 -0.005 0.000 0.857 289 D CB -0.219 40.586 40.800 0.007 0.000 0.934 289 D HN 0.449 nan 8.370 nan 0.000 0.475 290 Q N -0.822 118.979 119.800 0.001 0.000 2.403 290 Q HA 0.199 4.554 4.340 0.026 0.000 0.203 290 Q C 1.152 176.972 176.000 -0.300 0.000 0.932 290 Q CA 0.662 56.447 55.803 -0.031 0.000 0.945 290 Q CB 1.084 29.925 28.738 0.172 0.000 1.045 290 Q HN 0.320 nan 8.270 nan 0.000 0.511 291 G N 0.747 109.370 108.800 -0.294 0.000 2.134 291 G HA2 -0.260 3.716 3.960 0.026 0.000 0.209 291 G HA3 -0.260 3.716 3.960 0.026 0.000 0.209 291 G C -0.061 174.500 174.900 -0.565 0.000 0.993 291 G CA -0.308 44.532 45.100 -0.433 0.000 0.669 291 G HN 0.406 nan 8.290 nan 0.000 0.519 292 Y N 0.387 120.678 120.300 -0.014 0.000 2.774 292 Y HA 0.343 4.909 4.550 0.026 0.000 0.305 292 Y C 2.408 178.294 175.900 -0.024 0.000 1.067 292 Y CA 0.025 58.113 58.100 -0.019 0.000 1.304 292 Y CB -0.154 38.294 38.460 -0.020 0.000 1.209 292 Y HN 0.428 nan 8.280 nan 0.000 0.543 293 M N -1.269 118.364 119.600 0.055 0.000 2.202 293 M HA -0.163 4.332 4.480 0.026 0.000 0.262 293 M C 1.403 177.717 176.300 0.023 0.000 1.063 293 M CA 1.826 57.145 55.300 0.031 0.000 1.097 293 M CB -0.363 32.237 32.600 0.000 0.000 1.382 293 M HN 0.055 nan 8.290 nan 0.000 0.413 294 K N 0.325 120.742 120.400 0.029 0.000 2.362 294 K HA -0.049 4.287 4.320 0.026 0.000 0.200 294 K C 1.331 177.938 176.600 0.012 0.000 1.046 294 K CA 0.775 57.072 56.287 0.016 0.000 0.952 294 K CB 0.026 32.536 32.500 0.017 0.000 0.753 294 K HN 0.507 nan 8.250 nan 0.000 0.466 295 Q N -0.026 119.795 119.800 0.036 0.000 2.198 295 Q HA 0.223 4.578 4.340 0.026 0.000 0.209 295 Q C 0.016 175.987 176.000 -0.047 0.000 0.848 295 Q CA 0.215 56.017 55.803 -0.003 0.000 0.974 295 Q CB 0.572 29.321 28.738 0.018 0.000 1.115 295 Q HN 0.278 nan 8.270 nan 0.000 0.494 296 I N 1.367 121.913 120.570 -0.041 0.000 2.377 296 I HA 0.330 4.515 4.170 0.026 0.000 0.293 296 I C -0.514 175.547 176.117 -0.095 0.000 0.987 296 I CA -0.636 60.632 61.300 -0.053 0.000 1.185 296 I CB 1.391 39.383 38.000 -0.013 0.000 1.341 296 I HN -0.141 nan 8.210 nan 0.000 0.455 297 L N 7.135 128.285 121.223 -0.122 0.000 2.356 297 L HA 0.613 4.968 4.340 0.026 0.000 0.277 297 L C -0.546 176.280 176.870 -0.072 0.000 0.996 297 L CA -0.894 53.866 54.840 -0.134 0.000 0.822 297 L CB 2.095 44.012 42.059 -0.238 0.000 1.256 297 L HN 0.366 nan 8.230 nan 0.000 0.413 298 V N 1.700 121.588 119.914 -0.043 0.000 2.581 298 V HA 0.865 5.000 4.120 0.026 0.000 0.303 298 V C -0.465 175.660 176.094 0.053 0.000 1.041 298 V CA 0.239 62.548 62.300 0.014 0.000 0.907 298 V CB 1.994 33.843 31.823 0.043 0.000 0.994 298 V HN 0.850 nan 8.190 nan 0.000 0.442 299 S N 3.170 118.931 115.700 0.101 0.000 2.757 299 S HA 0.525 5.010 4.470 0.026 0.000 0.285 299 S C 0.082 174.802 174.600 0.200 0.000 1.196 299 S CA -0.318 57.974 58.200 0.154 0.000 0.856 299 S CB 1.873 65.171 63.200 0.162 0.000 1.212 299 S HN 0.895 nan 8.310 nan 0.000 0.516 300 N N 0.716 119.565 118.700 0.249 0.000 2.348 300 N HA 0.080 4.836 4.740 0.026 0.000 0.183 300 N C -0.734 175.054 175.510 0.464 0.000 1.094 300 N CA 0.254 53.496 53.050 0.320 0.000 0.885 300 N CB 0.060 38.711 38.487 0.273 0.000 1.065 300 N HN 0.714 nan 8.380 nan 0.000 0.472 301 D N 0.267 120.910 120.400 0.406 0.000 2.689 301 D HA -0.189 4.466 4.640 0.026 0.000 0.237 301 D C -0.524 176.093 176.300 0.528 0.000 1.148 301 D CA 0.413 54.708 54.000 0.491 0.000 0.656 301 D CB -1.042 39.958 40.800 0.333 0.000 1.050 301 D HN 0.385 nan 8.370 nan 0.000 0.426 302 W N -0.151 121.229 121.300 0.133 0.000 2.225 302 W HA 0.623 5.302 4.660 0.033 0.000 0.377 302 W C 0.360 176.768 176.519 -0.185 0.000 1.418 302 W CA -0.661 56.647 57.345 -0.062 0.000 1.562 302 W CB 0.827 30.199 29.460 -0.147 0.000 1.297 302 W HN 0.155 nan 8.180 nan 0.000 0.686 303 L N -0.920 119.865 121.223 -0.730 0.000 2.794 303 L HA 0.380 4.735 4.340 0.026 0.000 0.261 303 L C -1.436 174.927 176.870 -0.845 0.000 0.989 303 L CA -0.776 53.650 54.840 -0.689 0.000 0.900 303 L CB 1.389 43.122 42.059 -0.544 0.000 1.473 303 L HN 0.379 nan 8.230 nan 0.000 0.414 304 F N 0.291 120.216 119.950 -0.042 0.000 2.727 304 F HA 0.582 5.123 4.527 0.023 0.000 0.302 304 F C 1.252 177.078 175.800 0.043 0.000 1.107 304 F CA 0.131 58.142 58.000 0.017 0.000 1.277 304 F CB 1.218 40.241 39.000 0.039 0.000 1.079 304 F HN 0.693 nan 8.300 nan 0.000 0.594 305 G N -0.592 108.296 108.800 0.146 0.000 2.659 305 G HA2 0.512 4.488 3.960 0.026 0.000 0.296 305 G HA3 0.512 4.488 3.960 0.026 0.000 0.296 305 G C -2.040 173.063 174.900 0.338 0.000 1.369 305 G CA -0.365 44.922 45.100 0.311 0.000 0.937 305 G HN -0.151 nan 8.290 nan 0.000 0.485 306 F N 2.336 122.462 119.950 0.292 0.000 3.167 306 F HA 0.328 4.865 4.527 0.016 0.000 0.389 306 F C 0.995 176.900 175.800 0.177 0.000 1.233 306 F CA -1.564 56.506 58.000 0.117 0.000 1.238 306 F CB 1.196 40.185 39.000 -0.018 0.000 1.971 306 F HN 0.468 nan 8.300 nan 0.000 0.651 307 S N 0.237 116.132 115.700 0.325 0.000 2.501 307 S HA -0.030 4.455 4.470 0.026 0.000 0.220 307 S C 1.307 175.662 174.600 -0.408 0.000 0.997 307 S CA 0.759 58.807 58.200 -0.253 0.000 0.919 307 S CB -0.294 62.435 63.200 -0.784 0.000 0.778 307 S HN 0.446 nan 8.310 nan 0.000 0.523 308 S N -0.038 115.587 115.700 -0.127 0.000 2.743 308 S HA 0.363 4.848 4.470 0.026 0.000 0.230 308 S C -0.289 174.279 174.600 -0.053 0.000 0.950 308 S CA -0.617 57.540 58.200 -0.073 0.000 0.976 308 S CB -0.686 62.603 63.200 0.149 0.000 0.779 308 S HN 0.569 nan 8.310 nan 0.000 0.487 309 Y N 0.860 120.836 120.300 -0.541 0.000 2.876 309 Y HA 0.548 5.110 4.550 0.020 0.000 0.317 309 Y C -0.159 175.526 175.900 -0.358 0.000 1.369 309 Y CA -2.049 55.708 58.100 -0.572 0.000 1.101 309 Y CB 0.937 38.668 38.460 -1.214 0.000 1.346 309 Y HN 0.116 nan 8.280 nan 0.000 0.505 310 V N 0.735 120.150 119.914 -0.831 0.000 2.901 310 V HA 0.204 4.340 4.120 0.026 0.000 0.307 310 V C 0.058 176.027 176.094 -0.208 0.000 1.084 310 V CA -0.447 61.580 62.300 -0.455 0.000 1.184 310 V CB -0.410 31.132 31.823 -0.468 0.000 0.941 310 V HN 0.738 nan 8.190 nan 0.000 0.493 311 T N 4.922 119.407 114.554 -0.115 0.000 2.946 311 T HA 0.148 4.513 4.350 0.026 0.000 0.311 311 T C 0.949 175.587 174.700 -0.103 0.000 1.063 311 T CA 1.082 63.137 62.100 -0.075 0.000 1.139 311 T CB -0.453 68.375 68.868 -0.068 0.000 0.994 311 T HN 1.142 nan 8.240 nan 0.000 0.547 312 N N -0.563 118.062 118.700 -0.125 0.000 2.828 312 N HA -0.204 4.551 4.740 0.026 0.000 0.248 312 N C 0.832 176.325 175.510 -0.029 0.000 1.044 312 N CA 0.474 53.473 53.050 -0.085 0.000 0.851 312 N CB -1.225 37.215 38.487 -0.079 0.000 1.136 312 N HN 0.542 nan 8.380 nan 0.000 0.572 313 I N 0.602 121.163 120.570 -0.014 0.000 2.236 313 I HA -0.285 3.900 4.170 0.026 0.000 0.249 313 I C 2.055 178.209 176.117 0.061 0.000 1.102 313 I CA 1.735 63.063 61.300 0.047 0.000 1.365 313 I CB -0.169 37.881 38.000 0.084 0.000 1.051 313 I HN 0.339 nan 8.210 nan 0.000 0.420 314 M N -0.332 119.309 119.600 0.068 0.000 2.149 314 M HA -0.216 4.279 4.480 0.026 0.000 0.261 314 M C 1.826 178.161 176.300 0.059 0.000 1.064 314 M CA 1.703 57.043 55.300 0.066 0.000 1.102 314 M CB -1.167 31.490 32.600 0.094 0.000 1.369 314 M HN 0.276 nan 8.290 nan 0.000 0.408 315 D N 0.136 120.562 120.400 0.042 0.000 2.097 315 D HA -0.113 4.542 4.640 0.026 0.000 0.195 315 D C 2.167 178.497 176.300 0.051 0.000 0.989 315 D CA 1.116 55.142 54.000 0.044 0.000 0.827 315 D CB -0.523 40.289 40.800 0.019 0.000 0.966 315 D HN 0.182 nan 8.370 nan 0.000 0.456 316 V N 1.126 121.064 119.914 0.041 0.000 2.287 316 V HA -0.271 3.864 4.120 0.026 0.000 0.248 316 V C 2.577 178.707 176.094 0.060 0.000 1.053 316 V CA 1.544 63.870 62.300 0.043 0.000 1.027 316 V CB -0.472 31.375 31.823 0.039 0.000 0.646 316 V HN 0.193 nan 8.190 nan 0.000 0.447 317 M N -0.400 119.233 119.600 0.056 0.000 2.132 317 M HA -0.162 4.334 4.480 0.026 0.000 0.263 317 M C 1.956 178.423 176.300 0.278 0.000 1.065 317 M CA 1.725 57.075 55.300 0.084 0.000 1.122 317 M CB -0.569 31.936 32.600 -0.158 0.000 1.365 317 M HN 0.336 nan 8.290 nan 0.000 0.411 318 D N -0.291 120.245 120.400 0.228 0.000 2.224 318 D HA -0.092 4.564 4.640 0.026 0.000 0.205 318 D C 1.982 178.362 176.300 0.133 0.000 0.965 318 D CA 1.010 55.163 54.000 0.255 0.000 0.852 318 D CB -0.205 40.720 40.800 0.208 0.000 0.947 318 D HN 0.265 nan 8.370 nan 0.000 0.494 319 R N 0.220 120.776 120.500 0.094 0.000 2.090 319 R HA -0.038 4.318 4.340 0.026 0.000 0.228 319 R C 2.284 178.605 176.300 0.034 0.000 1.110 319 R CA 0.408 56.541 56.100 0.054 0.000 0.973 319 R CB -0.070 30.256 30.300 0.043 0.000 0.869 319 R HN -0.017 nan 8.270 nan 0.000 0.440 320 V N 0.791 120.731 119.914 0.043 0.000 2.295 320 V HA -0.174 3.962 4.120 0.026 0.000 0.246 320 V C 0.762 176.807 176.094 -0.082 0.000 1.049 320 V CA 1.548 63.852 62.300 0.005 0.000 1.024 320 V CB -0.428 31.410 31.823 0.026 0.000 0.648 320 V HN 0.360 nan 8.190 nan 0.000 0.447 321 N N 0.127 118.760 118.700 -0.112 0.000 2.844 321 N HA 0.219 4.974 4.740 0.026 0.000 0.268 321 N C -1.722 173.602 175.510 -0.310 0.000 1.574 321 N CA -1.892 50.918 53.050 -0.400 0.000 0.838 321 N CB 1.287 39.193 38.487 -0.968 0.000 1.177 321 N HN 0.110 nan 8.380 nan 0.000 0.495 322 P HA -0.022 nan 4.420 nan 0.000 0.226 322 P C 0.207 177.449 177.300 -0.097 0.000 1.153 322 P CA 0.793 63.855 63.100 -0.063 0.000 0.777 322 P CB 0.571 32.259 31.700 -0.020 0.000 0.794 323 D N -0.161 120.148 120.400 -0.151 0.000 2.219 323 D HA -0.030 4.625 4.640 0.026 0.000 0.205 323 D C 1.718 177.891 176.300 -0.212 0.000 0.970 323 D CA 1.502 55.426 54.000 -0.127 0.000 0.851 323 D CB -0.423 40.341 40.800 -0.060 0.000 0.943 323 D HN 0.187 nan 8.370 nan 0.000 0.488 324 G N 1.144 109.638 108.800 -0.509 0.000 2.556 324 G HA2 -0.393 3.582 3.960 0.026 0.000 0.283 324 G HA3 -0.393 3.582 3.960 0.026 0.000 0.283 324 G C 0.972 175.525 174.900 -0.577 0.000 1.177 324 G CA 0.439 45.051 45.100 -0.813 0.000 0.978 324 G HN 0.257 nan 8.290 nan 0.000 0.554 325 M N 1.433 120.939 119.600 -0.156 0.000 2.557 325 M HA 0.152 4.647 4.480 0.026 0.000 0.259 325 M C 2.615 178.924 176.300 0.015 0.000 1.086 325 M CA 1.476 56.789 55.300 0.022 0.000 1.096 325 M CB -0.116 32.582 32.600 0.162 0.000 1.424 325 M HN 0.715 nan 8.290 nan 0.000 0.488 326 A N -0.670 122.129 122.820 -0.035 0.000 2.238 326 A HA -0.032 4.303 4.320 0.026 0.000 0.208 326 A C 1.752 179.288 177.584 -0.080 0.000 1.177 326 A CA 0.149 52.150 52.037 -0.061 0.000 0.804 326 A CB -0.828 18.130 19.000 -0.070 0.000 0.823 326 A HN 0.531 nan 8.150 nan 0.000 0.482 327 F N 0.588 120.395 119.950 -0.238 0.000 2.134 327 F HA -0.183 4.360 4.527 0.027 0.000 0.299 327 F C 1.873 177.543 175.800 -0.216 0.000 1.097 327 F CA 1.447 59.266 58.000 -0.302 0.000 1.264 327 F CB 0.060 38.812 39.000 -0.414 0.000 1.001 327 F HN 0.174 nan 8.300 nan 0.000 0.479 328 I N 1.856 122.404 120.570 -0.036 0.000 2.099 328 I HA -0.201 3.985 4.170 0.026 0.000 0.239 328 I C -0.324 175.771 176.117 -0.036 0.000 1.066 328 I CA 1.752 63.044 61.300 -0.012 0.000 1.324 328 I CB -2.941 35.170 38.000 0.185 0.000 1.037 328 I HN 0.119 nan 8.210 nan 0.000 0.401 329 P HA -0.092 nan 4.420 nan 0.000 0.219 329 P C 2.191 179.408 177.300 -0.138 0.000 1.150 329 P CA 1.409 64.457 63.100 -0.087 0.000 0.814 329 P CB 0.032 31.514 31.700 -0.363 0.000 0.787 330 L N -1.642 119.460 121.223 -0.202 0.000 2.162 330 L HA 0.019 4.374 4.340 0.026 0.000 0.205 330 L C 2.747 179.449 176.870 -0.280 0.000 1.086 330 L CA 1.053 55.769 54.840 -0.208 0.000 0.778 330 L CB -0.387 41.558 42.059 -0.191 0.000 0.928 330 L HN -0.111 nan 8.230 nan 0.000 0.446 331 R N -0.756 119.424 120.500 -0.534 0.000 2.098 331 R HA 0.123 4.478 4.340 0.026 0.000 0.203 331 R C 2.163 178.173 176.300 -0.483 0.000 1.166 331 R CA 0.617 56.282 56.100 -0.726 0.000 1.090 331 R CB -0.792 28.518 30.300 -1.649 0.000 0.992 331 R HN 0.046 nan 8.270 nan 0.000 0.477 332 V N 2.384 121.966 119.914 -0.553 0.000 2.307 332 V HA -0.175 3.960 4.120 0.026 0.000 0.245 332 V C 2.408 178.582 176.094 0.133 0.000 1.045 332 V CA 1.452 63.698 62.300 -0.089 0.000 1.024 332 V CB -0.426 31.361 31.823 -0.060 0.000 0.651 332 V HN 0.092 nan 8.190 nan 0.000 0.449 333 I N 0.124 120.732 120.570 0.063 0.000 2.226 333 I HA -0.099 4.087 4.170 0.026 0.000 0.245 333 I C 0.081 176.260 176.117 0.102 0.000 1.100 333 I CA 1.566 62.931 61.300 0.107 0.000 1.374 333 I CB -2.677 35.403 38.000 0.134 0.000 1.057 333 I HN 0.340 nan 8.210 nan 0.000 0.413 334 P HA -0.173 nan 4.420 nan 0.000 0.218 334 P C 1.987 179.373 177.300 0.144 0.000 1.149 334 P CA 1.151 64.301 63.100 0.085 0.000 0.817 334 P CB -0.164 31.571 31.700 0.057 0.000 0.785 335 F N 0.280 120.279 119.950 0.083 0.000 2.113 335 F HA -0.129 4.414 4.527 0.026 0.000 0.297 335 F C 1.875 177.727 175.800 0.086 0.000 1.103 335 F CA 1.407 59.488 58.000 0.135 0.000 1.248 335 F CB -0.919 38.269 39.000 0.313 0.000 0.999 335 F HN -0.274 nan 8.300 nan 0.000 0.475 336 L N 0.170 121.431 121.223 0.063 0.000 2.046 336 L HA -0.216 4.139 4.340 0.026 0.000 0.208 336 L C 2.757 179.571 176.870 -0.094 0.000 1.077 336 L CA 1.680 56.484 54.840 -0.060 0.000 0.747 336 L CB -0.738 41.371 42.059 0.083 0.000 0.896 336 L HN 0.132 nan 8.230 nan 0.000 0.432 337 R N 0.416 120.896 120.500 -0.032 0.000 2.081 337 R HA -0.238 4.117 4.340 0.026 0.000 0.235 337 R C 2.208 178.465 176.300 -0.071 0.000 1.131 337 R CA 1.828 57.907 56.100 -0.034 0.000 0.960 337 R CB -0.062 30.238 30.300 -0.000 0.000 0.856 337 R HN 0.301 nan 8.270 nan 0.000 0.436 338 E N 0.246 120.389 120.200 -0.096 0.000 2.204 338 E HA -0.139 4.226 4.350 0.026 0.000 0.195 338 E C 1.039 177.536 176.600 -0.173 0.000 0.990 338 E CA 1.076 57.409 56.400 -0.111 0.000 0.821 338 E CB 0.270 29.915 29.700 -0.091 0.000 0.750 338 E HN 0.054 nan 8.360 nan 0.000 0.477 339 K N -0.776 119.460 120.400 -0.274 0.000 2.487 339 K HA 0.099 4.435 4.320 0.026 0.000 0.192 339 K C 0.936 177.448 176.600 -0.147 0.000 1.027 339 K CA 0.768 56.898 56.287 -0.263 0.000 1.054 339 K CB 0.697 32.958 32.500 -0.399 0.000 0.824 339 K HN 0.315 nan 8.250 nan 0.000 0.510 340 G N 0.571 109.307 108.800 -0.108 0.000 2.179 340 G HA2 -0.225 3.750 3.960 0.026 0.000 0.220 340 G HA3 -0.225 3.750 3.960 0.026 0.000 0.220 340 G C 0.086 174.955 174.900 -0.051 0.000 0.990 340 G CA -0.056 45.004 45.100 -0.067 0.000 0.646 340 G HN 0.097 nan 8.290 nan 0.000 0.517 341 V N 3.241 123.122 119.914 -0.054 0.000 2.479 341 V HA 0.365 4.501 4.120 0.026 0.000 0.281 341 V C -1.129 174.953 176.094 -0.019 0.000 1.031 341 V CA -0.986 61.296 62.300 -0.031 0.000 1.038 341 V CB 0.867 32.677 31.823 -0.021 0.000 0.981 341 V HN 0.251 nan 8.190 nan 0.000 0.478 342 P HA 0.079 nan 4.420 nan 0.000 0.271 342 P C 0.725 178.024 177.300 -0.002 0.000 1.218 342 P CA -0.195 62.899 63.100 -0.010 0.000 0.780 342 P CB 0.777 32.470 31.700 -0.012 0.000 0.901 343 Q N 1.668 121.470 119.800 0.003 0.000 2.103 343 Q HA -0.286 4.070 4.340 0.026 0.000 0.213 343 Q C 1.323 177.329 176.000 0.010 0.000 1.008 343 Q CA 2.402 58.212 55.803 0.011 0.000 0.879 343 Q CB -0.130 28.615 28.738 0.012 0.000 0.946 343 Q HN 0.459 nan 8.270 nan 0.000 0.413 344 E N -0.686 119.516 120.200 0.003 0.000 2.077 344 E HA -0.125 4.240 4.350 0.026 0.000 0.193 344 E C 2.026 178.623 176.600 -0.005 0.000 0.989 344 E CA 1.805 58.205 56.400 0.000 0.000 0.800 344 E CB -0.516 29.182 29.700 -0.004 0.000 0.746 344 E HN 0.362 nan 8.360 nan 0.000 0.452 345 T N 0.947 115.497 114.554 -0.007 0.000 2.788 345 T HA -0.098 4.267 4.350 0.026 0.000 0.268 345 T C 1.818 176.512 174.700 -0.010 0.000 1.044 345 T CA 0.984 63.078 62.100 -0.010 0.000 1.139 345 T CB -0.221 68.641 68.868 -0.009 0.000 0.867 345 T HN 0.073 nan 8.240 nan 0.000 0.454 346 L N 0.554 121.776 121.223 -0.002 0.000 2.109 346 L HA 0.057 4.412 4.340 0.026 0.000 0.207 346 L C 3.040 179.899 176.870 -0.018 0.000 1.086 346 L CA 0.869 55.709 54.840 0.001 0.000 0.760 346 L CB -0.650 41.427 42.059 0.030 0.000 0.910 346 L HN 0.219 nan 8.230 nan 0.000 0.437 347 A N 0.620 123.437 122.820 -0.005 0.000 1.902 347 A HA -0.120 4.215 4.320 0.026 0.000 0.217 347 A C 2.424 179.983 177.584 -0.043 0.000 1.181 347 A CA 1.714 53.744 52.037 -0.012 0.000 0.623 347 A CB -1.275 17.731 19.000 0.011 0.000 0.818 347 A HN 0.418 nan 8.150 nan 0.000 0.443 348 G N 0.042 108.822 108.800 -0.033 0.000 2.446 348 G HA2 -0.235 3.740 3.960 0.026 0.000 0.217 348 G HA3 -0.235 3.740 3.960 0.026 0.000 0.217 348 G C 1.529 176.393 174.900 -0.060 0.000 1.168 348 G CA 1.270 46.347 45.100 -0.037 0.000 0.771 348 G HN 0.482 nan 8.290 nan 0.000 0.551 349 I N 1.201 121.728 120.570 -0.071 0.000 2.353 349 I HA -0.094 4.092 4.170 0.026 0.000 0.248 349 I C 3.016 179.034 176.117 -0.164 0.000 1.119 349 I CA 1.678 62.924 61.300 -0.090 0.000 1.417 349 I CB -0.106 37.855 38.000 -0.065 0.000 1.078 349 I HN 0.344 nan 8.210 nan 0.000 0.421 350 T N -3.114 111.289 114.554 -0.251 0.000 3.051 350 T HA 0.128 4.494 4.350 0.026 0.000 0.255 350 T C 1.447 175.886 174.700 -0.434 0.000 1.085 350 T CA 0.396 62.185 62.100 -0.519 0.000 1.109 350 T CB 0.146 68.424 68.868 -0.983 0.000 0.921 350 T HN 0.094 nan 8.240 nan 0.000 0.488 351 V N 0.925 120.711 119.914 -0.214 0.000 2.950 351 V HA 0.061 4.196 4.120 0.026 0.000 0.231 351 V C 2.786 178.848 176.094 -0.052 0.000 1.205 351 V CA 1.183 63.423 62.300 -0.100 0.000 1.239 351 V CB -0.280 31.524 31.823 -0.033 0.000 1.050 351 V HN 0.383 nan 8.190 nan 0.000 0.498 352 T N 0.944 115.471 114.554 -0.046 0.000 2.812 352 T HA -0.109 4.256 4.350 0.026 0.000 0.264 352 T C 1.768 176.459 174.700 -0.015 0.000 1.042 352 T CA 1.613 63.700 62.100 -0.023 0.000 1.140 352 T CB -0.261 68.595 68.868 -0.019 0.000 0.870 352 T HN 0.322 nan 8.240 nan 0.000 0.445 353 N N 1.433 120.114 118.700 -0.031 0.000 2.106 353 N HA -0.016 4.740 4.740 0.026 0.000 0.188 353 N C -0.995 174.529 175.510 0.022 0.000 1.029 353 N CA 1.000 54.039 53.050 -0.018 0.000 0.848 353 N CB -1.533 36.921 38.487 -0.054 0.000 1.007 353 N HN 0.299 nan 8.380 nan 0.000 0.423 354 P HA -0.071 nan 4.420 nan 0.000 0.216 354 P C 1.089 178.447 177.300 0.097 0.000 1.150 354 P CA 1.574 64.719 63.100 0.076 0.000 0.837 354 P CB -0.060 31.651 31.700 0.017 0.000 0.786 355 A N -0.063 122.781 122.820 0.040 0.000 1.865 355 A HA -0.243 4.092 4.320 0.026 0.000 0.217 355 A C 2.439 180.038 177.584 0.024 0.000 1.191 355 A CA 1.820 53.870 52.037 0.020 0.000 0.623 355 A CB -1.325 17.678 19.000 0.004 0.000 0.826 355 A HN 0.004 nan 8.150 nan 0.000 0.444 356 R N -1.837 118.685 120.500 0.038 0.000 2.096 356 R HA -0.197 4.159 4.340 0.026 0.000 0.240 356 R C 2.005 178.349 176.300 0.075 0.000 1.139 356 R CA 2.021 58.145 56.100 0.040 0.000 0.952 356 R CB -0.486 29.839 30.300 0.041 0.000 0.854 356 R HN 0.525 nan 8.270 nan 0.000 0.436 357 F N 1.013 120.933 119.950 -0.051 0.000 2.102 357 F HA -0.151 4.390 4.527 0.024 0.000 0.298 357 F C 1.823 177.587 175.800 -0.061 0.000 1.105 357 F CA 1.538 59.504 58.000 -0.056 0.000 1.239 357 F CB -0.261 38.709 39.000 -0.051 0.000 0.991 357 F HN -0.010 nan 8.300 nan 0.000 0.474 358 L N -0.630 120.529 121.223 -0.107 0.000 2.341 358 L HA 0.019 4.374 4.340 0.026 0.000 0.214 358 L C 1.022 177.785 176.870 -0.180 0.000 1.115 358 L CA 0.069 54.776 54.840 -0.222 0.000 0.820 358 L CB -0.640 41.367 42.059 -0.086 0.000 0.944 358 L HN -0.139 nan 8.230 nan 0.000 0.452 359 S N 1.322 116.953 115.700 -0.115 0.000 2.737 359 S HA 0.031 4.517 4.470 0.026 0.000 0.315 359 S C -2.160 172.363 174.600 -0.128 0.000 1.236 359 S CA -0.766 57.375 58.200 -0.099 0.000 1.093 359 S CB 0.030 63.193 63.200 -0.062 0.000 0.832 359 S HN -0.014 nan 8.310 nan 0.000 0.507 360 P HA 0.156 nan 4.420 nan 0.000 0.271 360 P C -0.791 176.450 177.300 -0.098 0.000 1.233 360 P CA 0.031 63.057 63.100 -0.124 0.000 0.764 360 P CB 0.450 32.084 31.700 -0.109 0.000 0.825 361 T N 4.720 119.212 114.554 -0.103 0.000 2.930 361 T HA 0.290 4.656 4.350 0.026 0.000 0.313 361 T C -0.197 174.458 174.700 -0.075 0.000 1.019 361 T CA -0.599 61.453 62.100 -0.080 0.000 1.004 361 T CB 0.300 69.124 68.868 -0.074 0.000 0.987 361 T HN -0.002 nan 8.240 nan 0.000 0.456 362 L N 2.598 123.785 121.223 -0.060 0.000 2.439 362 L HA 0.373 4.728 4.340 0.026 0.000 0.269 362 L C 1.067 177.911 176.870 -0.043 0.000 1.179 362 L CA -0.113 54.697 54.840 -0.050 0.000 0.828 362 L CB -0.017 42.017 42.059 -0.041 0.000 1.106 362 L HN 0.516 nan 8.230 nan 0.000 0.467 363 R N 2.310 122.788 120.500 -0.038 0.000 2.484 363 R HA 0.368 4.723 4.340 0.026 0.000 0.293 363 R C 0.506 176.792 176.300 -0.024 0.000 1.023 363 R CA 0.718 56.800 56.100 -0.030 0.000 1.037 363 R CB 0.054 30.339 30.300 -0.025 0.000 0.951 363 R HN 0.895 nan 8.270 nan 0.000 0.418 364 A N 0.000 122.807 122.820 -0.022 0.000 2.254 364 A HA 0.000 4.335 4.320 0.026 0.000 0.244 364 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 364 A CB 0.000 18.991 19.000 -0.014 0.000 0.831 364 A HN 0.000 nan 8.150 nan 0.000 0.486