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 1dhk_1_A DATA FIRST_RESID 2 DATA SEQUENCE YAPQTQSGRT SIVHLFEWRW VDIALEcERY LGPKGFGGVQ VSPPNENVVV DATA SEQUENCE TNPSRPWWER YQPVSYKLcT RSGNENEFRD MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGSGAAAGT GTTcGSYCNP GSREFPAVPY SAWDFNDGKc KTASGGIESY DATA SEQUENCE NDPYQVRDcQ LVGLLDLALE KDYVRSMIAD YLNKLIDIGV AGFRIDASKH DATA SEQUENCE MWPGDIKAVL DKLHNLNTNW FPAGSRPFIF QEVIDLGGEA IQSSEYFGNG DATA SEQUENCE RVTEFKYGAK LGTVVRKWSG EKMSYLKNWG EGWGFMPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KVAVGFMLAH PYGFTRVMSS YRWARNFVNG DATA SEQUENCE EDVNDWIGPP NNNGVIKEVT INADTTcGND WVcEHRWREI RNMVWFRNVV DATA SEQUENCE DGQPFANWWD NGSNQVAFGR GNRGFIVFNN DDWQLSSTLQ TGLPGGTYcD DATA SEQUENCE VISGDKVGNS cTGIKVYVSS DGTAQFSISN SAEDPFIAIH AESKL 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 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.970 175.900 0.117 0.000 1.272 2 Y CA 0.000 58.213 58.100 0.189 0.000 1.940 2 Y CB 0.000 38.496 38.460 0.060 0.000 1.050 3 A N 1.682 124.580 122.820 0.130 0.000 2.409 3 A HA 0.196 nan 4.320 nan 0.000 0.267 3 A C -1.274 176.053 177.584 -0.429 0.000 1.127 3 A CA -1.847 50.114 52.037 -0.127 0.000 0.795 3 A CB -0.526 18.451 19.000 -0.038 0.000 1.061 3 A HN -0.166 8.081 8.150 0.162 0.000 0.502 4 P HA -0.168 nan 4.420 nan 0.000 0.222 4 P C -0.723 176.333 177.300 -0.407 0.000 1.147 4 P CA 0.712 62.916 63.100 -1.494 0.000 0.790 4 P CB 0.254 30.927 31.700 -1.711 0.000 0.780 5 Q N -6.502 113.190 119.800 -0.181 0.000 2.503 5 Q HA -0.249 nan 4.340 nan 0.000 0.267 5 Q C -0.513 175.577 176.000 0.149 0.000 1.030 5 Q CA 0.684 56.525 55.803 0.063 0.000 1.041 5 Q CB -2.835 25.972 28.738 0.115 0.000 1.406 5 Q HN 0.500 8.584 8.270 -0.239 0.043 0.524 6 T N -7.169 107.416 114.554 0.051 0.000 2.828 6 T HA 0.157 nan 4.350 nan 0.000 0.290 6 T C -0.469 174.256 174.700 0.042 0.000 1.019 6 T CA -2.176 59.975 62.100 0.085 0.000 1.031 6 T CB 0.638 69.561 68.868 0.092 0.000 1.001 6 T HN -0.397 7.773 8.240 -0.060 0.034 0.531 7 Q N 1.682 121.493 119.800 0.017 0.000 2.364 7 Q HA -0.072 nan 4.340 nan 0.000 0.267 7 Q C 0.386 176.378 176.000 -0.015 0.000 0.999 7 Q CA 0.570 56.367 55.803 -0.011 0.000 0.886 7 Q CB 1.076 29.799 28.738 -0.024 0.000 1.243 7 Q HN 0.369 8.653 8.270 0.024 0.000 0.415 8 S N 6.052 121.740 115.700 -0.019 0.000 4.454 8 S HA -0.369 nan 4.470 nan 0.000 0.400 8 S C 0.591 175.157 174.600 -0.056 0.000 0.563 8 S CA 1.961 60.141 58.200 -0.033 0.000 1.318 8 S CB -1.068 62.115 63.200 -0.028 0.000 1.958 8 S HN 0.813 9.115 8.310 -0.013 0.000 0.349 9 G N 0.901 109.659 108.800 -0.071 0.000 2.194 9 G HA2 -0.373 nan 3.960 nan 0.000 0.236 9 G HA3 -0.373 nan 3.960 nan 0.000 0.236 9 G C -0.517 174.291 174.900 -0.152 0.000 0.987 9 G CA -0.228 44.798 45.100 -0.123 0.000 0.635 9 G HN 0.524 8.781 8.290 -0.055 0.000 0.520 10 R N 2.038 122.482 120.500 -0.093 0.000 2.254 10 R HA 0.154 nan 4.340 nan 0.000 0.318 10 R C -1.063 175.211 176.300 -0.044 0.000 1.031 10 R CA -0.378 55.669 56.100 -0.089 0.000 0.905 10 R CB 0.849 31.136 30.300 -0.022 0.000 1.050 10 R HN -0.182 7.997 8.270 -0.056 0.058 0.456 11 T N -1.429 113.047 114.554 -0.130 0.000 3.040 11 T HA 0.253 nan 4.350 nan 0.000 0.266 11 T C -0.763 173.631 174.700 -0.511 0.000 1.005 11 T CA -1.079 60.908 62.100 -0.187 0.000 0.906 11 T CB 0.745 69.482 68.868 -0.218 0.000 1.082 11 T HN 0.238 8.360 8.240 -0.196 0.000 0.531 12 S N 0.177 115.664 115.700 -0.355 0.000 2.595 12 S HA 0.751 nan 4.470 nan 0.000 0.281 12 S C -2.314 172.237 174.600 -0.082 0.000 1.117 12 S CA -0.512 57.432 58.200 -0.426 0.000 0.873 12 S CB 3.438 66.448 63.200 -0.318 0.000 1.108 12 S HN -0.527 7.666 8.310 -0.194 0.000 0.477 13 I N -3.802 116.750 120.570 -0.029 0.000 2.785 13 I HA 0.904 nan 4.170 nan 0.000 0.302 13 I C -2.358 173.839 176.117 0.133 0.000 1.069 13 I CA -1.990 59.394 61.300 0.139 0.000 1.045 13 I CB 3.736 41.813 38.000 0.128 0.000 1.236 13 I HN 0.115 8.222 8.210 -0.171 0.000 0.429 14 V N 1.770 121.783 119.914 0.166 0.000 2.680 14 V HA 0.660 nan 4.120 nan 0.000 0.309 14 V C -2.209 173.933 176.094 0.080 0.000 1.052 14 V CA -3.053 59.308 62.300 0.102 0.000 0.908 14 V CB 3.569 35.400 31.823 0.012 0.000 1.001 14 V HN 0.412 8.708 8.190 0.177 0.000 0.431 15 H N 9.094 128.145 119.070 -0.032 0.000 2.820 15 H HA 0.408 nan 4.556 nan 0.000 0.278 15 H C -0.602 174.676 175.328 -0.084 0.000 1.142 15 H CA -2.436 53.614 56.048 0.004 0.000 1.346 15 H CB -0.420 29.374 29.762 0.054 0.000 1.438 15 H HN 0.593 8.970 8.280 0.162 0.000 0.473 16 L N 9.116 130.249 121.223 -0.150 0.000 2.399 16 L HA -0.014 nan 4.340 nan 0.000 0.257 16 L C -1.118 175.636 176.870 -0.193 0.000 1.236 16 L CA -1.716 52.743 54.840 -0.635 0.000 1.144 16 L CB -1.308 40.050 42.059 -1.167 0.000 1.379 16 L HN -0.224 8.015 8.230 0.015 0.000 0.414 17 F N 4.979 124.688 119.950 -0.402 0.000 2.571 17 F HA -0.437 nan 4.527 nan 0.000 0.390 17 F C -0.407 175.616 175.800 0.372 0.000 1.043 17 F CA 1.074 58.921 58.000 -0.256 0.000 1.164 17 F CB -0.186 38.566 39.000 -0.414 0.000 1.049 17 F HN -0.225 7.901 8.300 -0.217 0.044 0.552 18 E N 1.392 121.621 120.200 0.049 0.000 3.286 18 E HA -0.514 nan 4.350 nan 0.000 0.292 18 E C -0.800 175.930 176.600 0.217 0.000 0.928 18 E CA 1.666 58.079 56.400 0.021 0.000 0.982 18 E CB -1.595 27.973 29.700 -0.221 0.000 1.500 18 E HN 0.313 8.788 8.360 0.191 0.000 0.441 19 W N -1.313 119.940 121.300 -0.078 0.000 2.184 19 W HA -0.120 nan 4.660 nan 0.000 0.338 19 W C 0.104 176.477 176.519 -0.242 0.000 1.257 19 W CA 0.159 57.347 57.345 -0.263 0.000 1.243 19 W CB 0.500 29.809 29.460 -0.252 0.000 1.122 19 W HN -0.856 7.546 8.180 0.455 0.051 0.585 20 R N -0.123 120.316 120.500 -0.102 0.000 2.531 20 R HA -0.037 nan 4.340 nan 0.000 0.273 20 R C 1.275 177.621 176.300 0.077 0.000 1.070 20 R CA -0.152 55.819 56.100 -0.215 0.000 1.112 20 R CB 0.597 30.784 30.300 -0.189 0.000 1.049 20 R HN 0.388 8.521 8.270 -0.229 0.000 0.508 21 W N 1.698 123.053 121.300 0.092 0.000 2.342 21 W HA -0.374 nan 4.660 nan 0.000 0.297 21 W C 1.567 178.106 176.519 0.034 0.000 1.213 21 W CA 2.472 59.862 57.345 0.075 0.000 1.251 21 W CB -0.295 29.228 29.460 0.106 0.000 1.136 21 W HN 0.665 8.488 8.180 -0.415 0.107 0.526 22 V N -1.146 118.907 119.914 0.231 0.000 2.407 22 V HA -0.521 nan 4.120 nan 0.000 0.248 22 V C 1.236 177.383 176.094 0.088 0.000 1.055 22 V CA 3.942 66.316 62.300 0.123 0.000 1.049 22 V CB -0.747 31.114 31.823 0.064 0.000 0.662 22 V HN 0.253 8.552 8.190 0.183 0.000 0.455 23 D N -0.118 120.322 120.400 0.068 0.000 2.149 23 D HA -0.194 nan 4.640 nan 0.000 0.201 23 D C 2.409 178.852 176.300 0.239 0.000 0.972 23 D CA 3.633 57.660 54.000 0.046 0.000 0.835 23 D CB -0.509 40.174 40.800 -0.195 0.000 0.966 23 D HN -0.710 7.692 8.370 0.053 0.000 0.476 24 I N 0.051 120.803 120.570 0.303 0.000 2.252 24 I HA -0.496 nan 4.170 nan 0.000 0.245 24 I C 1.476 177.652 176.117 0.097 0.000 1.102 24 I CA 3.816 65.247 61.300 0.218 0.000 1.385 24 I CB -0.277 37.837 38.000 0.189 0.000 1.064 24 I HN -0.346 8.044 8.210 0.300 0.000 0.414 25 A N -0.056 122.814 122.820 0.084 0.000 1.883 25 A HA -0.322 nan 4.320 nan 0.000 0.217 25 A C 2.087 179.694 177.584 0.039 0.000 1.186 25 A CA 3.373 55.426 52.037 0.027 0.000 0.624 25 A CB -0.946 18.072 19.000 0.029 0.000 0.822 25 A HN -0.161 8.066 8.150 0.128 0.000 0.444 26 L N -2.860 118.402 121.223 0.064 0.000 2.056 26 L HA -0.420 nan 4.340 nan 0.000 0.207 26 L C 2.199 179.122 176.870 0.087 0.000 1.078 26 L CA 2.785 57.662 54.840 0.062 0.000 0.749 26 L CB -0.369 41.720 42.059 0.051 0.000 0.901 26 L HN -0.509 7.767 8.230 0.076 0.000 0.433 27 E N -0.195 120.082 120.200 0.127 0.000 2.110 27 E HA -0.304 nan 4.350 nan 0.000 0.193 27 E C 2.257 178.920 176.600 0.104 0.000 0.988 27 E CA 3.122 59.613 56.400 0.152 0.000 0.804 27 E CB -0.485 29.329 29.700 0.190 0.000 0.745 27 E HN -0.060 8.319 8.360 0.151 0.071 0.458 28 c N -0.464 118.163 118.600 0.045 0.000 2.413 28 c HA -0.332 nan 4.570 nan 0.000 0.276 28 c C 2.303 176.416 174.090 0.038 0.000 1.236 28 c CA 4.559 60.898 56.329 0.015 0.000 1.735 28 c CB -1.545 40.947 42.510 -0.031 0.000 2.031 28 c HN 0.182 8.423 8.230 0.039 0.012 0.474 29 E N -1.061 119.164 120.200 0.042 0.000 2.072 29 E HA -0.237 nan 4.350 nan 0.000 0.190 29 E C 2.237 178.877 176.600 0.067 0.000 0.982 29 E CA 2.596 59.022 56.400 0.044 0.000 0.803 29 E CB -0.035 29.686 29.700 0.035 0.000 0.755 29 E HN -0.607 7.777 8.360 0.039 0.000 0.453 30 R N -3.551 117.005 120.500 0.094 0.000 2.276 30 R HA -0.096 nan 4.340 nan 0.000 0.196 30 R C 0.698 177.117 176.300 0.199 0.000 0.961 30 R CA 1.559 57.731 56.100 0.120 0.000 1.024 30 R CB 0.863 31.229 30.300 0.111 0.000 0.940 30 R HN -0.112 8.215 8.270 0.095 0.000 0.480 31 Y N -1.278 119.045 120.300 0.038 0.000 3.299 31 Y HA 0.053 nan 4.550 nan 0.000 0.195 31 Y C -0.920 175.017 175.900 0.062 0.000 0.972 31 Y CA 1.898 60.025 58.100 0.046 0.000 1.633 31 Y CB 2.081 40.560 38.460 0.031 0.000 1.465 31 Y HN -0.478 7.876 8.280 0.193 0.042 0.367 32 L N -0.013 121.268 121.223 0.097 0.000 2.042 32 L HA -0.478 nan 4.340 nan 0.000 0.210 32 L C 2.149 179.088 176.870 0.115 0.000 1.076 32 L CA 3.660 58.507 54.840 0.012 0.000 0.749 32 L CB -0.381 41.655 42.059 -0.039 0.000 0.893 32 L HN 0.104 8.463 8.230 0.215 0.000 0.432 33 G N -1.946 106.897 108.800 0.072 0.000 2.453 33 G HA2 -0.123 nan 3.960 nan 0.000 0.215 33 G HA3 -0.123 nan 3.960 nan 0.000 0.215 33 G C -1.315 173.640 174.900 0.090 0.000 1.201 33 G CA 2.733 47.877 45.100 0.074 0.000 0.784 33 G HN 0.200 8.525 8.290 0.058 0.000 0.545 34 P HA -0.128 nan 4.420 nan 0.000 0.216 34 P C 0.663 177.999 177.300 0.061 0.000 1.150 34 P CA 1.932 65.057 63.100 0.041 0.000 0.837 34 P CB -0.097 31.599 31.700 -0.005 0.000 0.786 35 K N -5.972 114.438 120.400 0.016 0.000 2.505 35 K HA 0.080 nan 4.320 nan 0.000 0.192 35 K C 0.934 177.782 176.600 0.413 0.000 1.025 35 K CA -0.928 55.414 56.287 0.093 0.000 1.086 35 K CB -0.646 31.753 32.500 -0.169 0.000 0.840 35 K HN -0.012 8.187 8.250 -0.056 0.017 0.514 36 G N -0.971 108.060 108.800 0.385 0.000 2.160 36 G HA2 -0.352 nan 3.960 nan 0.000 0.251 36 G HA3 -0.352 nan 3.960 nan 0.000 0.251 36 G C -0.134 174.810 174.900 0.073 0.000 1.008 36 G CA 0.558 45.792 45.100 0.223 0.000 0.724 36 G HN -0.489 7.898 8.290 0.297 0.081 0.514 37 F N 0.195 120.175 119.950 0.051 0.000 2.443 37 F HA -0.021 nan 4.527 nan 0.000 0.353 37 F C 0.701 176.521 175.800 0.034 0.000 1.101 37 F CA 0.357 58.382 58.000 0.042 0.000 1.226 37 F CB 0.327 39.362 39.000 0.059 0.000 1.140 37 F HN -0.396 8.229 8.300 0.541 0.000 0.557 38 G N 2.039 110.942 108.800 0.171 0.000 2.430 38 G HA2 -0.050 nan 3.960 nan 0.000 0.216 38 G HA3 -0.050 nan 3.960 nan 0.000 0.216 38 G C -1.321 173.721 174.900 0.237 0.000 1.146 38 G CA 0.560 45.761 45.100 0.167 0.000 0.793 38 G HN 0.328 8.680 8.290 0.104 0.000 0.537 39 G N -3.333 105.642 108.800 0.291 0.000 2.488 39 G HA2 0.452 nan 3.960 nan 0.000 0.301 39 G HA3 0.452 nan 3.960 nan 0.000 0.301 39 G C -2.887 172.174 174.900 0.268 0.000 1.339 39 G CA 0.425 45.722 45.100 0.329 0.000 0.803 39 G HN -0.858 7.608 8.290 0.294 0.000 0.482 40 V N -1.601 118.462 119.914 0.248 0.000 2.638 40 V HA 0.607 nan 4.120 nan 0.000 0.306 40 V C -2.111 174.147 176.094 0.274 0.000 1.052 40 V CA -1.367 61.025 62.300 0.153 0.000 0.885 40 V CB 3.893 35.710 31.823 -0.010 0.000 0.999 40 V HN 0.547 8.880 8.190 0.239 0.000 0.424 41 Q N 5.829 125.793 119.800 0.273 0.000 2.303 41 Q HA 0.734 nan 4.340 nan 0.000 0.257 41 Q C -1.214 174.985 176.000 0.333 0.000 0.941 41 Q CA -1.102 54.887 55.803 0.310 0.000 0.931 41 Q CB 2.283 31.144 28.738 0.204 0.000 1.215 41 Q HN 0.587 8.881 8.270 0.221 0.108 0.437 42 V N 1.175 121.273 119.914 0.308 0.000 2.834 42 V HA 0.610 nan 4.120 nan 0.000 0.313 42 V C -1.076 175.301 176.094 0.473 0.000 1.060 42 V CA -3.163 59.384 62.300 0.411 0.000 0.989 42 V CB 1.592 33.623 31.823 0.346 0.000 1.041 42 V HN 0.257 8.602 8.190 0.259 0.000 0.459 43 S N 2.897 118.938 115.700 0.570 0.000 2.589 43 S HA 0.147 nan 4.470 nan 0.000 0.265 43 S C -1.488 173.354 174.600 0.403 0.000 1.342 43 S CA -0.459 58.021 58.200 0.466 0.000 1.005 43 S CB -0.678 62.743 63.200 0.368 0.000 0.909 43 S HN 0.337 9.013 8.310 0.611 0.000 0.555 44 P HA 0.086 nan 4.420 nan 0.000 0.260 44 P C -1.126 176.333 177.300 0.265 0.000 1.185 44 P CA -0.699 62.492 63.100 0.152 0.000 0.763 44 P CB -0.294 31.363 31.700 -0.073 0.000 0.776 45 P HA -0.062 nan 4.420 nan 0.000 0.245 45 P C -1.269 176.125 177.300 0.157 0.000 1.206 45 P CA 0.445 63.728 63.100 0.305 0.000 0.781 45 P CB 0.360 31.958 31.700 -0.171 0.000 0.994 46 N N 0.128 118.901 118.700 0.122 0.000 2.508 46 N HA -0.140 nan 4.740 nan 0.000 0.285 46 N C -0.819 174.688 175.510 -0.004 0.000 1.144 46 N CA -1.326 51.741 53.050 0.028 0.000 0.978 46 N CB 0.955 39.391 38.487 -0.086 0.000 1.180 46 N HN -0.596 7.816 8.380 0.149 0.057 0.484 47 E N -0.247 119.930 120.200 -0.038 0.000 2.529 47 E HA -0.277 nan 4.350 nan 0.000 0.259 47 E C -0.670 175.899 176.600 -0.052 0.000 0.966 47 E CA 1.001 57.378 56.400 -0.038 0.000 0.937 47 E CB 0.887 30.560 29.700 -0.045 0.000 0.923 47 E HN -0.011 8.319 8.360 -0.050 0.000 0.468 48 N N 1.882 120.566 118.700 -0.027 0.000 2.380 48 N HA 0.567 nan 4.740 nan 0.000 0.290 48 N C -1.865 173.641 175.510 -0.006 0.000 1.236 48 N CA -1.133 51.907 53.050 -0.016 0.000 0.780 48 N CB 3.422 41.903 38.487 -0.011 0.000 1.438 48 N HN -0.251 8.117 8.380 -0.020 0.000 0.491 49 V N -1.133 118.789 119.914 0.013 0.000 2.811 49 V HA 0.196 nan 4.120 nan 0.000 0.302 49 V C -0.236 175.848 176.094 -0.018 0.000 1.063 49 V CA 0.059 62.364 62.300 0.008 0.000 1.088 49 V CB 0.771 32.615 31.823 0.034 0.000 0.982 49 V HN -0.332 7.875 8.190 0.029 0.000 0.485 50 V N 8.331 128.226 119.914 -0.032 0.000 2.432 50 V HA 0.083 nan 4.120 nan 0.000 0.275 50 V C -0.476 175.576 176.094 -0.070 0.000 1.043 50 V CA -0.346 61.920 62.300 -0.056 0.000 0.925 50 V CB -0.010 31.784 31.823 -0.049 0.000 0.985 50 V HN 0.078 8.253 8.190 -0.026 0.000 0.466 51 V N 8.301 128.144 119.914 -0.119 0.000 2.370 51 V HA 0.289 nan 4.120 nan 0.000 0.283 51 V C 0.365 176.360 176.094 -0.166 0.000 1.023 51 V CA -0.842 61.369 62.300 -0.147 0.000 0.857 51 V CB 1.420 33.090 31.823 -0.254 0.000 0.985 51 V HN 0.434 8.871 8.190 -0.143 -0.333 0.443 52 T N 3.182 117.659 114.554 -0.129 0.000 3.022 52 T HA 0.188 nan 4.350 nan 0.000 0.250 52 T C -0.215 174.390 174.700 -0.158 0.000 1.060 52 T CA 0.856 62.882 62.100 -0.124 0.000 1.013 52 T CB 0.390 69.209 68.868 -0.082 0.000 0.982 52 T HN 0.322 8.501 8.240 -0.103 0.000 0.508 53 N N 0.495 119.088 118.700 -0.178 0.000 2.607 53 N HA 0.433 nan 4.740 nan 0.000 0.271 53 N C -2.963 172.400 175.510 -0.244 0.000 1.142 53 N CA -2.050 50.871 53.050 -0.216 0.000 0.810 53 N CB 0.915 39.321 38.487 -0.135 0.000 1.306 53 N HN -0.168 8.121 8.380 -0.151 0.000 0.536 54 P HA 0.077 nan 4.420 nan 0.000 0.272 54 P C -1.409 175.555 177.300 -0.560 0.000 1.240 54 P CA -0.589 62.007 63.100 -0.840 0.000 0.791 54 P CB 1.190 31.811 31.700 -1.798 0.000 0.978 55 S N 0.977 116.424 115.700 -0.422 0.000 2.465 55 S HA -0.133 nan 4.470 nan 0.000 0.307 55 S C -0.085 174.512 174.600 -0.005 0.000 1.187 55 S CA 0.631 58.764 58.200 -0.112 0.000 1.141 55 S CB -0.788 62.427 63.200 0.025 0.000 1.108 55 S HN 0.160 8.142 8.310 -0.548 0.000 0.525 56 R N 2.520 122.947 120.500 -0.121 0.000 3.127 56 R HA -0.361 nan 4.340 nan 0.000 0.247 56 R C -2.358 173.867 176.300 -0.125 0.000 0.896 56 R CA -0.454 55.567 56.100 -0.131 0.000 0.624 56 R CB -2.907 27.347 30.300 -0.076 0.000 1.154 56 R HN 0.178 8.347 8.270 -0.168 0.000 0.474 57 P HA 0.148 nan 4.420 nan 0.000 0.272 57 P C 1.323 178.381 177.300 -0.403 0.000 1.240 57 P CA -0.671 62.178 63.100 -0.419 0.000 0.791 57 P CB 0.462 31.344 31.700 -1.363 0.000 0.978 58 W N -0.772 120.470 121.300 -0.096 0.000 2.374 58 W HA -0.177 nan 4.660 nan 0.000 0.288 58 W C 1.385 178.069 176.519 0.276 0.000 1.218 58 W CA 2.684 60.109 57.345 0.134 0.000 1.245 58 W CB -1.026 28.689 29.460 0.425 0.000 1.126 58 W HN 0.058 8.282 8.180 0.074 0.000 0.545 59 W N -1.900 119.051 121.300 -0.582 0.000 2.825 59 W HA -0.112 nan 4.660 nan 0.000 0.243 59 W C 0.935 177.437 176.519 -0.029 0.000 1.293 59 W CA -0.033 57.039 57.345 -0.456 0.000 1.403 59 W CB -1.195 27.637 29.460 -1.046 0.000 1.134 59 W HN -0.159 7.023 8.180 -1.630 0.020 0.666 60 E N 1.479 121.612 120.200 -0.112 0.000 2.204 60 E HA -0.318 nan 4.350 nan 0.000 0.194 60 E C 1.760 178.412 176.600 0.086 0.000 0.989 60 E CA 2.451 58.844 56.400 -0.012 0.000 0.824 60 E CB -0.921 28.666 29.700 -0.188 0.000 0.756 60 E HN -0.443 7.607 8.360 -0.432 0.051 0.477 61 R N -2.480 118.075 120.500 0.092 0.000 2.328 61 R HA -0.213 nan 4.340 nan 0.000 0.207 61 R C 0.708 176.903 176.300 -0.175 0.000 1.056 61 R CA 1.497 57.578 56.100 -0.031 0.000 1.016 61 R CB 0.016 30.280 30.300 -0.059 0.000 0.872 61 R HN -0.753 7.566 8.270 0.131 0.030 0.471 62 Y N -4.139 116.311 120.300 0.249 0.000 2.658 62 Y HA 0.084 nan 4.550 nan 0.000 0.276 62 Y C -0.226 175.856 175.900 0.303 0.000 1.167 62 Y CA -0.555 57.721 58.100 0.294 0.000 1.230 62 Y CB 0.055 38.729 38.460 0.357 0.000 1.144 62 Y HN -0.732 7.595 8.280 0.391 0.187 0.529 63 Q N -0.517 119.434 119.800 0.251 0.000 2.798 63 Q HA 0.434 nan 4.340 nan 0.000 0.250 63 Q C -2.666 173.389 176.000 0.090 0.000 1.006 63 Q CA -3.161 52.764 55.803 0.202 0.000 0.759 63 Q CB 0.935 29.775 28.738 0.170 0.000 1.201 63 Q HN -0.452 7.830 8.270 0.168 0.089 0.486 64 P HA 0.111 nan 4.420 nan 0.000 0.269 64 P C -1.449 175.771 177.300 -0.133 0.000 1.215 64 P CA 0.578 63.627 63.100 -0.085 0.000 0.780 64 P CB 0.615 32.226 31.700 -0.147 0.000 0.898 65 V N -8.245 111.587 119.914 -0.135 0.000 3.497 65 V HA 0.476 nan 4.120 nan 0.000 0.272 65 V C -1.394 174.632 176.094 -0.112 0.000 1.474 65 V CA -0.677 61.612 62.300 -0.017 0.000 1.025 65 V CB 1.347 33.225 31.823 0.092 0.000 0.820 65 V HN 0.325 8.426 8.190 -0.150 0.000 0.437 66 S N -1.241 114.268 115.700 -0.319 0.000 2.655 66 S HA 0.201 nan 4.470 nan 0.000 0.266 66 S C -1.470 172.748 174.600 -0.637 0.000 1.149 66 S CA -0.526 57.393 58.200 -0.469 0.000 0.818 66 S CB 1.618 64.697 63.200 -0.202 0.000 1.130 66 S HN -0.696 7.430 8.310 -0.307 0.000 0.476 67 Y N -2.648 117.484 120.300 -0.280 0.000 2.607 67 Y HA 0.209 nan 4.550 nan 0.000 0.266 67 Y C -0.612 175.160 175.900 -0.213 0.000 1.178 67 Y CA -0.841 56.987 58.100 -0.453 0.000 1.226 67 Y CB -0.086 38.017 38.460 -0.594 0.000 1.144 67 Y HN 0.159 8.205 8.280 -0.390 0.000 0.528 68 K N 0.332 120.712 120.400 -0.034 0.000 2.350 68 K HA -0.068 nan 4.320 nan 0.000 0.279 68 K C -0.448 176.167 176.600 0.025 0.000 1.027 68 K CA -0.334 55.961 56.287 0.014 0.000 0.969 68 K CB 0.557 33.061 32.500 0.006 0.000 0.954 68 K HN -0.560 7.561 8.250 -0.096 0.072 0.474 69 L N 4.395 125.641 121.223 0.038 0.000 2.384 69 L HA -0.002 nan 4.340 nan 0.000 0.258 69 L C -1.944 174.984 176.870 0.098 0.000 1.266 69 L CA -0.803 54.050 54.840 0.022 0.000 1.162 69 L CB -2.072 39.938 42.059 -0.082 0.000 1.375 69 L HN 0.491 8.748 8.230 0.045 0.000 0.420 70 c N 4.202 122.859 118.600 0.094 0.000 2.892 70 c HA 0.452 nan 4.570 nan 0.000 0.360 70 c C -2.028 172.099 174.090 0.061 0.000 1.054 70 c CA -0.869 55.515 56.329 0.091 0.000 1.326 70 c CB 1.181 43.724 42.510 0.056 0.000 1.806 70 c HN -0.088 8.157 8.230 0.070 0.027 0.490 71 T N 4.171 118.760 114.554 0.058 0.000 2.654 71 T HA 0.538 nan 4.350 nan 0.000 0.289 71 T C 0.920 175.565 174.700 -0.091 0.000 1.062 71 T CA -1.174 60.920 62.100 -0.010 0.000 1.041 71 T CB 2.589 71.461 68.868 0.007 0.000 1.417 71 T HN 0.539 8.834 8.240 0.091 0.000 0.510 72 R N -0.255 120.169 120.500 -0.127 0.000 2.189 72 R HA -0.143 nan 4.340 nan 0.000 0.223 72 R C 0.932 177.065 176.300 -0.279 0.000 1.092 72 R CA 2.839 58.844 56.100 -0.159 0.000 0.989 72 R CB -0.143 30.079 30.300 -0.130 0.000 0.876 72 R HN 0.552 8.761 8.270 -0.103 0.000 0.457 73 S N -2.962 112.449 115.700 -0.483 0.000 2.461 73 S HA -0.067 nan 4.470 nan 0.000 0.228 73 S C -0.811 173.191 174.600 -0.997 0.000 1.005 73 S CA 2.087 59.730 58.200 -0.929 0.000 0.942 73 S CB 1.158 63.252 63.200 -1.844 0.000 0.776 73 S HN -0.614 7.415 8.310 -0.411 0.034 0.514 74 G N -1.774 106.689 108.800 -0.561 0.000 2.362 74 G HA2 -0.174 nan 3.960 nan 0.000 0.288 74 G HA3 -0.174 nan 3.960 nan 0.000 0.288 74 G C -3.064 171.944 174.900 0.179 0.000 1.305 74 G CA -0.325 44.686 45.100 -0.148 0.000 0.910 74 G HN -0.610 7.291 8.290 -0.388 0.156 0.518 75 N N -1.054 117.820 118.700 0.290 0.000 2.671 75 N HA 0.550 nan 4.740 nan 0.000 0.303 75 N C 0.456 176.169 175.510 0.338 0.000 1.277 75 N CA -2.281 50.926 53.050 0.263 0.000 0.933 75 N CB 1.736 40.317 38.487 0.156 0.000 1.190 75 N HN 0.295 9.172 8.380 0.277 -0.330 0.600 76 E N -0.023 120.310 120.200 0.221 0.000 2.085 76 E HA -0.460 nan 4.350 nan 0.000 0.194 76 E C 1.928 178.663 176.600 0.224 0.000 0.994 76 E CA 3.926 60.448 56.400 0.202 0.000 0.801 76 E CB -0.080 29.697 29.700 0.128 0.000 0.743 76 E HN 0.342 8.802 8.360 0.167 0.000 0.453 77 N N -0.514 118.295 118.700 0.182 0.000 2.142 77 N HA -0.288 nan 4.740 nan 0.000 0.186 77 N C 2.416 178.026 175.510 0.165 0.000 1.023 77 N CA 3.398 56.538 53.050 0.150 0.000 0.852 77 N CB -0.126 38.429 38.487 0.114 0.000 0.998 77 N HN -0.563 8.007 8.380 0.165 -0.091 0.424 78 E N 1.215 121.551 120.200 0.228 0.000 2.106 78 E HA -0.352 nan 4.350 nan 0.000 0.192 78 E C 2.169 178.919 176.600 0.249 0.000 0.984 78 E CA 2.965 59.523 56.400 0.262 0.000 0.806 78 E CB -0.142 29.767 29.700 0.349 0.000 0.750 78 E HN -0.146 8.698 8.360 0.245 -0.338 0.458 79 F N 0.805 120.797 119.950 0.071 0.000 2.146 79 F HA -0.332 nan 4.527 nan 0.000 0.298 79 F C 1.325 176.998 175.800 -0.211 0.000 1.096 79 F CA 3.627 61.424 58.000 -0.338 0.000 1.275 79 F CB 0.312 39.057 39.000 -0.425 0.000 1.008 79 F HN 0.049 8.523 8.300 0.442 0.092 0.480 80 R N -1.637 118.887 120.500 0.040 0.000 2.081 80 R HA -0.463 nan 4.340 nan 0.000 0.235 80 R C 1.959 178.201 176.300 -0.096 0.000 1.131 80 R CA 3.818 59.905 56.100 -0.021 0.000 0.960 80 R CB -0.461 29.895 30.300 0.093 0.000 0.856 80 R HN 0.004 8.393 8.270 0.198 0.000 0.436 81 D N -0.188 120.191 120.400 -0.035 0.000 2.123 81 D HA -0.264 nan 4.640 nan 0.000 0.196 81 D C 1.935 178.177 176.300 -0.097 0.000 0.992 81 D CA 3.230 57.215 54.000 -0.025 0.000 0.833 81 D CB -0.012 40.805 40.800 0.029 0.000 0.954 81 D HN -0.144 8.238 8.370 0.020 0.000 0.455 82 M N -0.300 119.202 119.600 -0.163 0.000 2.086 82 M HA -0.383 nan 4.480 nan 0.000 0.261 82 M C 1.864 177.956 176.300 -0.346 0.000 1.067 82 M CA 4.104 59.271 55.300 -0.222 0.000 1.116 82 M CB 0.093 32.537 32.600 -0.260 0.000 1.348 82 M HN -0.404 7.798 8.290 -0.148 0.000 0.407 83 V N -1.366 118.238 119.914 -0.517 0.000 2.343 83 V HA -0.528 nan 4.120 nan 0.000 0.247 83 V C 2.092 177.880 176.094 -0.510 0.000 1.051 83 V CA 4.679 66.645 62.300 -0.556 0.000 1.036 83 V CB -1.280 30.181 31.823 -0.604 0.000 0.654 83 V HN -0.114 7.709 8.190 -0.612 0.000 0.451 84 T N 1.953 116.311 114.554 -0.327 0.000 2.674 84 T HA -0.307 nan 4.350 nan 0.000 0.265 84 T C 1.939 176.542 174.700 -0.163 0.000 1.039 84 T CA 4.926 66.913 62.100 -0.187 0.000 1.150 84 T CB -0.503 68.407 68.868 0.070 0.000 0.864 84 T HN 0.097 8.187 8.240 -0.250 0.000 0.427 85 R N 0.675 121.102 120.500 -0.122 0.000 2.096 85 R HA -0.306 nan 4.340 nan 0.000 0.235 85 R C 2.274 178.498 176.300 -0.126 0.000 1.127 85 R CA 3.591 59.643 56.100 -0.080 0.000 0.968 85 R CB -0.239 30.032 30.300 -0.047 0.000 0.861 85 R HN -0.034 8.163 8.270 -0.122 0.000 0.440 86 c N -1.303 117.175 118.600 -0.202 0.000 2.453 86 c HA -0.222 nan 4.570 nan 0.000 0.277 86 c C 2.203 176.129 174.090 -0.274 0.000 1.262 86 c CA 4.234 60.438 56.329 -0.207 0.000 1.718 86 c CB -1.675 40.695 42.510 -0.233 0.000 2.031 86 c HN 0.279 8.367 8.230 -0.237 0.000 0.480 87 N N -0.071 118.340 118.700 -0.482 0.000 2.149 87 N HA -0.255 nan 4.740 nan 0.000 0.188 87 N C 2.607 177.895 175.510 -0.371 0.000 1.019 87 N CA 3.088 55.717 53.050 -0.703 0.000 0.857 87 N CB -0.670 36.788 38.487 -1.714 0.000 0.997 87 N HN -0.028 8.024 8.380 -0.547 0.000 0.426 88 N N -0.217 118.387 118.700 -0.161 0.000 2.289 88 N HA -0.173 nan 4.740 nan 0.000 0.184 88 N C 1.157 176.673 175.510 0.010 0.000 1.016 88 N CA 2.521 55.605 53.050 0.057 0.000 0.872 88 N CB 0.190 38.737 38.487 0.100 0.000 0.973 88 N HN -0.053 8.189 8.380 -0.211 0.012 0.433 89 V N -8.754 111.138 119.914 -0.038 0.000 3.342 89 V HA 0.516 nan 4.120 nan 0.000 0.322 89 V C -0.115 175.966 176.094 -0.023 0.000 1.370 89 V CA -1.845 60.447 62.300 -0.014 0.000 1.170 89 V CB -1.651 30.170 31.823 -0.002 0.000 1.101 89 V HN -0.672 7.335 8.190 -0.081 0.135 0.442 90 G N -1.046 107.717 108.800 -0.060 0.000 2.147 90 G HA2 -0.339 nan 3.960 nan 0.000 0.244 90 G HA3 -0.339 nan 3.960 nan 0.000 0.244 90 G C -0.768 174.099 174.900 -0.055 0.000 1.005 90 G CA 0.741 45.803 45.100 -0.063 0.000 0.713 90 G HN -0.374 7.668 8.290 -0.085 0.197 0.515 91 V N -0.239 119.625 119.914 -0.084 0.000 2.384 91 V HA 0.160 nan 4.120 nan 0.000 0.287 91 V C -0.571 175.445 176.094 -0.130 0.000 1.020 91 V CA -0.911 61.360 62.300 -0.048 0.000 0.850 91 V CB 0.253 32.061 31.823 -0.026 0.000 0.987 91 V HN -0.217 7.900 8.190 -0.122 0.000 0.436 92 R N 5.817 126.264 120.500 -0.088 0.000 2.577 92 R HA 0.224 nan 4.340 nan 0.000 0.269 92 R C -1.209 174.897 176.300 -0.323 0.000 1.084 92 R CA -3.029 52.932 56.100 -0.231 0.000 1.163 92 R CB 1.375 31.536 30.300 -0.231 0.000 1.100 92 R HN 0.217 8.498 8.270 0.018 0.000 0.547 93 I N 0.455 120.715 120.570 -0.518 0.000 2.406 93 I HA 0.584 nan 4.170 nan 0.000 0.290 93 I C -1.505 174.234 176.117 -0.629 0.000 0.999 93 I CA -1.779 59.262 61.300 -0.432 0.000 1.124 93 I CB 0.831 38.589 38.000 -0.404 0.000 1.289 93 I HN 0.333 8.226 8.210 -0.528 0.000 0.441 94 Y N 5.256 125.537 120.300 -0.031 0.000 2.341 94 Y HA 0.363 nan 4.550 nan 0.000 0.338 94 Y C -1.462 174.421 175.900 -0.027 0.000 0.965 94 Y CA -1.550 56.525 58.100 -0.040 0.000 1.108 94 Y CB 1.777 40.355 38.460 0.196 0.000 1.180 94 Y HN 0.798 9.138 8.280 0.100 0.000 0.458 95 V N 3.641 123.556 119.914 0.002 0.000 2.509 95 V HA 0.093 nan 4.120 nan 0.000 0.284 95 V C -0.899 175.299 176.094 0.173 0.000 1.047 95 V CA -0.804 61.582 62.300 0.142 0.000 0.952 95 V CB 1.151 33.099 31.823 0.209 0.000 0.988 95 V HN 0.527 8.569 8.190 -0.246 0.000 0.469 96 D N 7.040 127.544 120.400 0.174 0.000 2.374 96 D HA 0.106 nan 4.640 nan 0.000 0.240 96 D C -1.024 175.373 176.300 0.162 0.000 1.229 96 D CA -0.790 53.297 54.000 0.144 0.000 0.895 96 D CB 0.575 41.495 40.800 0.201 0.000 1.046 96 D HN -0.053 8.442 8.370 0.209 0.000 0.498 97 A N 6.652 129.541 122.820 0.115 0.000 2.343 97 A HA 0.284 nan 4.320 nan 0.000 0.305 97 A C -1.405 176.226 177.584 0.078 0.000 1.308 97 A CA -0.654 51.434 52.037 0.086 0.000 0.949 97 A CB 1.117 20.065 19.000 -0.087 0.000 1.148 97 A HN 0.708 8.897 8.150 0.065 0.000 0.545 98 V N 6.179 126.156 119.914 0.106 0.000 2.284 98 V HA 0.125 nan 4.120 nan 0.000 0.260 98 V C -0.152 175.916 176.094 -0.044 0.000 1.084 98 V CA 0.074 62.394 62.300 0.033 0.000 0.894 98 V CB -1.130 30.719 31.823 0.043 0.000 1.119 98 V HN 0.493 8.777 8.190 0.156 0.000 0.484 99 I N 0.958 121.476 120.570 -0.086 0.000 4.240 99 I HA 0.256 nan 4.170 nan 0.000 0.331 99 I C -0.864 175.185 176.117 -0.113 0.000 1.381 99 I CA -0.483 60.771 61.300 -0.077 0.000 1.136 99 I CB 0.935 38.893 38.000 -0.070 0.000 1.137 99 I HN -0.405 7.760 8.210 -0.074 0.000 0.411 100 N N -0.865 117.728 118.700 -0.177 0.000 2.416 100 N HA -0.187 nan 4.740 nan 0.000 0.177 100 N C -1.350 174.144 175.510 -0.025 0.000 1.036 100 N CA 1.747 54.760 53.050 -0.063 0.000 0.901 100 N CB 1.017 39.552 38.487 0.080 0.000 0.976 100 N HN 0.259 8.484 8.380 -0.257 0.000 0.444 101 H N -7.879 111.198 119.070 0.011 0.000 2.960 101 H HA 0.470 nan 4.556 nan 0.000 0.323 101 H C -1.678 173.632 175.328 -0.030 0.000 1.326 101 H CA -1.781 54.268 56.048 0.001 0.000 1.124 101 H CB 2.605 32.377 29.762 0.016 0.000 1.853 101 H HN -0.954 6.908 8.280 -0.637 0.035 0.536 102 M N -0.794 118.887 119.600 0.135 0.000 2.348 102 M HA 0.412 nan 4.480 nan 0.000 0.226 102 M C -0.283 176.069 176.300 0.087 0.000 0.780 102 M CA -2.071 53.176 55.300 -0.088 0.000 1.699 102 M CB 2.970 35.237 32.600 -0.556 0.000 1.192 102 M HN 0.081 8.504 8.290 0.223 0.000 0.859 103 C N -2.840 116.479 119.300 0.031 0.000 2.480 103 C HA 0.593 nan 4.460 nan 0.000 0.344 103 C C 0.213 175.250 174.990 0.078 0.000 1.380 103 C CA -2.938 56.145 59.018 0.109 0.000 2.386 103 C CB 1.683 29.507 27.740 0.140 0.000 2.210 103 C HN 0.237 8.419 8.230 -0.081 0.000 0.640 104 G N -1.450 107.378 108.800 0.046 0.000 2.380 104 G HA2 -0.020 nan 3.960 nan 0.000 0.242 104 G HA3 -0.020 nan 3.960 nan 0.000 0.242 104 G C 0.924 175.821 174.900 -0.006 0.000 1.298 104 G CA -0.042 45.056 45.100 -0.003 0.000 0.878 104 G HN -0.155 8.459 8.290 0.062 -0.287 0.542 105 S N 6.262 121.939 115.700 -0.039 0.000 2.469 105 S HA -0.277 nan 4.470 nan 0.000 0.238 105 S C 1.184 175.746 174.600 -0.062 0.000 0.998 105 S CA 2.871 61.034 58.200 -0.063 0.000 0.957 105 S CB -0.304 62.849 63.200 -0.078 0.000 0.764 105 S HN 0.608 8.888 8.310 -0.049 0.000 0.514 106 G N -0.957 107.813 108.800 -0.049 0.000 3.141 106 G HA2 0.118 nan 3.960 nan 0.000 0.218 106 G HA3 0.118 nan 3.960 nan 0.000 0.218 106 G C -0.916 173.959 174.900 -0.042 0.000 1.170 106 G CA -0.744 44.328 45.100 -0.047 0.000 0.769 106 G HN 0.108 8.324 8.290 -0.044 0.048 0.546 107 A N 1.214 124.012 122.820 -0.036 0.000 2.445 107 A HA 0.033 nan 4.320 nan 0.000 0.242 107 A C -1.494 176.052 177.584 -0.063 0.000 1.075 107 A CA -0.158 51.859 52.037 -0.033 0.000 0.777 107 A CB 0.976 19.971 19.000 -0.009 0.000 1.013 107 A HN -0.459 7.482 8.150 -0.031 0.189 0.493 108 A N 1.362 124.146 122.820 -0.060 0.000 2.401 108 A HA 0.114 nan 4.320 nan 0.000 0.259 108 A C -0.341 177.176 177.584 -0.111 0.000 1.103 108 A CA -0.416 51.578 52.037 -0.072 0.000 0.789 108 A CB 0.486 19.455 19.000 -0.051 0.000 1.035 108 A HN 0.296 8.419 8.150 -0.046 0.000 0.491 109 A N 2.296 125.037 122.820 -0.131 0.000 2.445 109 A HA 0.185 nan 4.320 nan 0.000 0.242 109 A C -0.438 177.062 177.584 -0.140 0.000 1.075 109 A CA 0.293 52.202 52.037 -0.214 0.000 0.777 109 A CB 0.442 19.342 19.000 -0.166 0.000 1.013 109 A HN 0.160 8.248 8.150 -0.102 0.000 0.493 110 G N 0.287 108.939 108.800 -0.246 0.000 2.350 110 G HA2 -0.185 nan 3.960 nan 0.000 0.276 110 G HA3 -0.185 nan 3.960 nan 0.000 0.276 110 G C -2.533 172.349 174.900 -0.029 0.000 1.313 110 G CA 0.235 45.322 45.100 -0.023 0.000 0.903 110 G HN -0.060 7.903 8.290 -0.545 0.000 0.490 111 T N 0.860 115.438 114.554 0.041 0.000 3.252 111 T HA 0.271 nan 4.350 nan 0.000 0.286 111 T C 0.343 175.048 174.700 0.008 0.000 1.013 111 T CA -0.027 62.100 62.100 0.046 0.000 0.914 111 T CB -0.514 68.414 68.868 0.100 0.000 1.131 111 T HN 0.019 8.292 8.240 0.055 0.000 0.529 112 G N 4.193 112.984 108.800 -0.015 0.000 3.316 112 G HA2 0.135 nan 3.960 nan 0.000 0.255 112 G HA3 0.135 nan 3.960 nan 0.000 0.255 112 G C -1.834 173.052 174.900 -0.023 0.000 0.880 112 G CA 0.088 45.176 45.100 -0.020 0.000 1.956 112 G HN 0.184 8.398 8.290 -0.027 0.060 0.634 113 T N -1.389 113.156 114.554 -0.015 0.000 2.916 113 T HA 0.644 nan 4.350 nan 0.000 0.292 113 T C 1.572 176.265 174.700 -0.012 0.000 1.064 113 T CA -1.874 60.219 62.100 -0.013 0.000 1.011 113 T CB 3.024 71.888 68.868 -0.007 0.000 1.152 113 T HN -0.423 7.747 8.240 -0.008 0.065 0.510 114 T N -4.625 109.920 114.554 -0.015 0.000 3.007 114 T HA -0.105 nan 4.350 nan 0.000 0.270 114 T C 0.310 175.007 174.700 -0.005 0.000 1.107 114 T CA 2.498 64.588 62.100 -0.016 0.000 1.118 114 T CB -0.301 68.555 68.868 -0.021 0.000 0.889 114 T HN 0.514 8.745 8.240 -0.016 0.000 0.506 115 c N 1.125 119.726 118.600 0.001 0.000 3.255 115 c HA 0.422 nan 4.570 nan 0.000 0.282 115 c C 0.051 174.150 174.090 0.015 0.000 1.441 115 c CA -0.965 55.370 56.329 0.010 0.000 1.785 115 c CB -0.151 42.367 42.510 0.014 0.000 2.583 115 c HN -0.284 8.114 8.230 -0.002 -0.169 0.615 116 G N 1.373 110.181 108.800 0.014 0.000 2.168 116 G HA2 -0.359 nan 3.960 nan 0.000 0.263 116 G HA3 -0.359 nan 3.960 nan 0.000 0.263 116 G C 0.248 175.172 174.900 0.041 0.000 0.977 116 G CA 0.527 45.641 45.100 0.024 0.000 0.659 116 G HN -0.554 7.629 8.290 0.007 0.111 0.533 117 S N 0.908 116.630 115.700 0.035 0.000 2.579 117 S HA -0.003 nan 4.470 nan 0.000 0.275 117 S C -0.801 173.844 174.600 0.075 0.000 1.345 117 S CA 0.680 58.913 58.200 0.055 0.000 1.031 117 S CB 1.189 64.408 63.200 0.032 0.000 0.892 117 S HN -0.531 8.010 8.310 0.021 -0.218 0.529 118 Y N 4.449 124.737 120.300 -0.020 0.000 2.320 118 Y HA 0.244 nan 4.550 nan 0.000 0.324 118 Y C -1.739 174.121 175.900 -0.066 0.000 1.190 118 Y CA -0.218 57.858 58.100 -0.041 0.000 1.215 118 Y CB 1.809 40.242 38.460 -0.045 0.000 1.221 118 Y HN 0.014 8.413 8.280 0.198 0.000 0.486 119 C N 3.535 122.227 119.300 -1.014 0.000 3.239 119 C HA 0.468 nan 4.460 nan 0.000 0.329 119 C C -2.571 171.777 174.990 -1.071 0.000 1.252 119 C CA -2.280 56.210 59.018 -0.881 0.000 1.323 119 C CB 3.727 31.165 27.740 -0.502 0.000 1.663 119 C HN 0.098 7.549 8.230 -1.299 0.000 0.487 120 N N 1.255 119.436 118.700 -0.866 0.000 2.762 120 N HA 0.587 nan 4.740 nan 0.000 0.252 120 N C -1.593 173.579 175.510 -0.564 0.000 1.269 120 N CA -3.349 49.358 53.050 -0.573 0.000 0.799 120 N CB 0.982 39.272 38.487 -0.327 0.000 1.173 120 N HN 0.406 8.125 8.380 -0.921 0.109 0.516 121 P HA -0.186 nan 4.420 nan 0.000 0.216 121 P C 1.257 178.402 177.300 -0.258 0.000 1.153 121 P CA 2.784 65.678 63.100 -0.343 0.000 0.858 121 P CB 0.367 31.982 31.700 -0.141 0.000 0.789 122 G N -3.041 105.636 108.800 -0.206 0.000 2.469 122 G HA2 -0.264 nan 3.960 nan 0.000 0.220 122 G HA3 -0.264 nan 3.960 nan 0.000 0.220 122 G C 0.889 175.694 174.900 -0.158 0.000 1.136 122 G CA 1.946 46.955 45.100 -0.152 0.000 0.759 122 G HN 0.070 8.294 8.290 -0.206 -0.057 0.562 123 S N 0.231 115.819 115.700 -0.187 0.000 2.582 123 S HA 0.126 nan 4.470 nan 0.000 0.234 123 S C -1.102 173.370 174.600 -0.213 0.000 0.961 123 S CA -1.373 56.733 58.200 -0.158 0.000 0.953 123 S CB 0.099 63.232 63.200 -0.112 0.000 0.800 123 S HN -0.709 7.608 8.310 -0.222 -0.140 0.471 124 R N -2.411 117.903 120.500 -0.310 0.000 3.416 124 R HA -0.460 nan 4.340 nan 0.000 0.263 124 R C -1.109 175.058 176.300 -0.222 0.000 1.053 124 R CA 0.948 56.827 56.100 -0.368 0.000 0.705 124 R CB -2.666 27.374 30.300 -0.433 0.000 1.124 124 R HN -0.168 7.699 8.270 -0.314 0.215 0.444 125 E N -1.042 118.888 120.200 -0.450 0.000 2.113 125 E HA 0.246 nan 4.350 nan 0.000 0.273 125 E C -0.927 175.281 176.600 -0.653 0.000 0.924 125 E CA -0.678 55.520 56.400 -0.338 0.000 0.764 125 E CB 1.609 31.176 29.700 -0.222 0.000 1.104 125 E HN -0.252 7.657 8.360 -0.565 0.112 0.406 126 F N 3.765 123.748 119.950 0.055 0.000 2.622 126 F HA 0.427 nan 4.527 nan 0.000 0.338 126 F C -1.536 174.276 175.800 0.019 0.000 1.334 126 F CA -2.776 55.246 58.000 0.036 0.000 1.179 126 F CB 0.199 39.277 39.000 0.131 0.000 1.471 126 F HN 0.573 9.002 8.300 0.215 0.000 0.576 127 P HA -0.211 nan 4.420 nan 0.000 0.221 127 P C -0.456 176.885 177.300 0.069 0.000 1.145 127 P CA 1.793 64.951 63.100 0.095 0.000 0.795 127 P CB -0.530 31.242 31.700 0.120 0.000 0.775 128 A N -3.616 119.238 122.820 0.058 0.000 2.206 128 A HA -0.017 nan 4.320 nan 0.000 0.211 128 A C 1.192 178.745 177.584 -0.053 0.000 1.158 128 A CA 1.424 53.468 52.037 0.012 0.000 0.761 128 A CB 0.117 19.121 19.000 0.006 0.000 0.801 128 A HN 0.172 8.326 8.150 0.084 0.046 0.473 129 V N -1.217 118.638 119.914 -0.099 0.000 2.326 129 V HA 0.055 nan 4.120 nan 0.000 0.238 129 V C -1.423 174.580 176.094 -0.152 0.000 1.038 129 V CA 1.638 63.783 62.300 -0.257 0.000 1.032 129 V CB -1.298 30.127 31.823 -0.663 0.000 0.675 129 V HN -0.307 7.704 8.190 -0.028 0.163 0.467 130 P HA 0.455 nan 4.420 nan 0.000 0.292 130 P C -2.639 174.694 177.300 0.055 0.000 1.300 130 P CA -1.090 62.015 63.100 0.007 0.000 0.900 130 P CB 1.797 33.559 31.700 0.102 0.000 1.139 131 Y N -0.196 120.228 120.300 0.208 0.000 2.512 131 Y HA 0.455 nan 4.550 nan 0.000 0.348 131 Y C -1.136 174.825 175.900 0.102 0.000 0.990 131 Y CA -1.706 56.508 58.100 0.191 0.000 1.033 131 Y CB 4.073 42.653 38.460 0.200 0.000 1.259 131 Y HN 0.158 8.494 8.280 0.285 0.116 0.461 132 S N 0.584 116.281 115.700 -0.006 0.000 2.709 132 S HA 0.612 nan 4.470 nan 0.000 0.302 132 S C 0.373 174.731 174.600 -0.402 0.000 1.127 132 S CA -2.858 55.043 58.200 -0.499 0.000 0.905 132 S CB 3.134 65.408 63.200 -1.544 0.000 1.151 132 S HN 0.511 9.124 8.310 -0.034 -0.323 0.510 133 A N 1.716 124.291 122.820 -0.407 0.000 2.009 133 A HA -0.249 nan 4.320 nan 0.000 0.222 133 A C 1.654 179.317 177.584 0.130 0.000 1.175 133 A CA 3.282 55.288 52.037 -0.053 0.000 0.651 133 A CB -0.513 18.473 19.000 -0.022 0.000 0.815 133 A HN 0.930 8.771 8.150 -0.516 0.000 0.459 134 W N -6.731 114.700 121.300 0.219 0.000 3.077 134 W HA -0.079 nan 4.660 nan 0.000 0.245 134 W C 0.301 176.897 176.519 0.128 0.000 1.316 134 W CA -0.884 56.550 57.345 0.149 0.000 1.537 134 W CB -0.747 28.764 29.460 0.086 0.000 1.131 134 W HN -0.760 6.885 8.180 -0.842 0.030 0.695 135 D N -0.020 120.409 120.400 0.047 0.000 2.342 135 D HA 0.155 nan 4.640 nan 0.000 0.221 135 D C -1.332 174.664 176.300 -0.508 0.000 1.101 135 D CA 0.934 54.842 54.000 -0.154 0.000 0.837 135 D CB -0.020 40.625 40.800 -0.259 0.000 0.938 135 D HN 0.267 8.417 8.370 -0.052 0.189 0.508 136 F N -1.041 118.899 119.950 -0.017 0.000 2.598 136 F HA 0.331 nan 4.527 nan 0.000 0.327 136 F C -0.137 175.683 175.800 0.034 0.000 1.057 136 F CA -1.010 56.977 58.000 -0.021 0.000 0.957 136 F CB 2.954 41.938 39.000 -0.026 0.000 1.278 136 F HN -0.846 7.531 8.300 0.267 0.083 0.484 137 N N 0.565 119.401 118.700 0.226 0.000 2.370 137 N HA -0.027 nan 4.740 nan 0.000 0.198 137 N C 0.840 176.436 175.510 0.144 0.000 1.156 137 N CA 0.554 53.702 53.050 0.163 0.000 0.839 137 N CB -0.178 38.398 38.487 0.148 0.000 0.989 137 N HN 0.658 9.195 8.380 0.262 0.000 0.468 138 D N 0.258 120.748 120.400 0.150 0.000 2.149 138 D HA -0.299 nan 4.640 nan 0.000 0.194 138 D C 1.483 177.835 176.300 0.087 0.000 1.001 138 D CA 3.233 57.293 54.000 0.100 0.000 0.849 138 D CB -0.469 40.380 40.800 0.081 0.000 0.939 138 D HN 0.174 8.583 8.370 0.201 0.082 0.449 139 G N -2.584 106.275 108.800 0.098 0.000 2.623 139 G HA2 -0.168 nan 3.960 nan 0.000 0.214 139 G HA3 -0.168 nan 3.960 nan 0.000 0.214 139 G C 0.122 175.066 174.900 0.073 0.000 1.138 139 G CA 0.108 45.256 45.100 0.079 0.000 0.794 139 G HN 0.200 8.552 8.290 0.119 0.010 0.535 140 K N 0.152 120.605 120.400 0.089 0.000 2.211 140 K HA -0.048 nan 4.320 nan 0.000 0.201 140 K C 0.055 176.713 176.600 0.096 0.000 1.052 140 K CA -0.229 56.113 56.287 0.091 0.000 0.973 140 K CB 0.972 33.541 32.500 0.115 0.000 0.766 140 K HN -0.518 7.637 8.250 0.103 0.156 0.466 141 c N 1.480 120.139 118.600 0.098 0.000 2.596 141 c HA -0.060 nan 4.570 nan 0.000 0.414 141 c C 1.146 175.276 174.090 0.068 0.000 1.396 141 c CA 0.944 57.328 56.329 0.092 0.000 1.698 141 c CB 0.363 42.919 42.510 0.077 0.000 2.572 141 c HN -0.274 8.014 8.230 0.098 0.000 0.604 142 K N 6.266 126.708 120.400 0.070 0.000 2.418 142 K HA -0.001 nan 4.320 nan 0.000 0.195 142 K C -0.035 176.587 176.600 0.037 0.000 1.035 142 K CA 0.499 56.813 56.287 0.045 0.000 1.003 142 K CB -0.274 32.249 32.500 0.040 0.000 0.793 142 K HN 0.617 8.923 8.250 0.093 0.000 0.494 143 T N -4.875 109.703 114.554 0.040 0.000 2.882 143 T HA 0.120 nan 4.350 nan 0.000 0.287 143 T C 0.555 175.269 174.700 0.023 0.000 1.014 143 T CA -1.131 60.987 62.100 0.030 0.000 1.049 143 T CB 1.294 70.180 68.868 0.030 0.000 1.001 143 T HN -0.755 7.471 8.240 0.048 0.043 0.525 144 A N 3.237 126.068 122.820 0.018 0.000 2.014 144 A HA -0.081 nan 4.320 nan 0.000 0.218 144 A C 1.145 178.735 177.584 0.010 0.000 1.163 144 A CA 1.858 53.903 52.037 0.013 0.000 0.652 144 A CB -0.075 18.932 19.000 0.011 0.000 0.808 144 A HN 0.749 8.911 8.150 0.019 0.000 0.449 145 S N -2.407 113.299 115.700 0.010 0.000 2.478 145 S HA -0.030 nan 4.470 nan 0.000 0.222 145 S C 1.304 175.906 174.600 0.003 0.000 1.008 145 S CA 0.302 58.504 58.200 0.004 0.000 0.928 145 S CB 0.695 63.897 63.200 0.003 0.000 0.781 145 S HN -0.417 8.039 8.310 0.013 -0.137 0.518 146 G N 1.218 110.024 108.800 0.011 0.000 2.176 146 G HA2 -0.344 nan 3.960 nan 0.000 0.253 146 G HA3 -0.344 nan 3.960 nan 0.000 0.253 146 G C -0.852 174.053 174.900 0.009 0.000 0.979 146 G CA -0.140 44.969 45.100 0.014 0.000 0.641 146 G HN -0.293 7.866 8.290 0.016 0.141 0.530 147 G N -1.564 107.238 108.800 0.003 0.000 2.597 147 G HA2 0.816 nan 3.960 nan 0.000 0.317 147 G HA3 0.816 nan 3.960 nan 0.000 0.317 147 G C -1.408 173.494 174.900 0.002 0.000 1.230 147 G CA -2.378 42.719 45.100 -0.006 0.000 0.996 147 G HN -0.542 7.670 8.290 0.006 0.081 0.490 148 I N -0.382 120.184 120.570 -0.008 0.000 2.533 148 I HA -0.341 nan 4.170 nan 0.000 0.284 148 I C -0.245 175.898 176.117 0.045 0.000 1.109 148 I CA 1.782 63.075 61.300 -0.011 0.000 1.412 148 I CB -0.233 37.719 38.000 -0.080 0.000 1.396 148 I HN -0.379 7.818 8.210 -0.022 0.000 0.543 149 E N 6.641 126.871 120.200 0.050 0.000 2.465 149 E HA 0.179 nan 4.350 nan 0.000 0.209 149 E C -0.495 176.166 176.600 0.102 0.000 0.951 149 E CA -0.007 56.436 56.400 0.070 0.000 0.997 149 E CB 1.799 31.527 29.700 0.046 0.000 1.025 149 E HN 0.533 9.243 8.360 0.031 -0.330 0.500 150 S N -0.811 114.954 115.700 0.108 0.000 2.649 150 S HA 0.192 nan 4.470 nan 0.000 0.274 150 S C -0.442 174.245 174.600 0.144 0.000 1.176 150 S CA -0.278 58.006 58.200 0.140 0.000 0.988 150 S CB 1.260 64.513 63.200 0.088 0.000 1.071 150 S HN -0.557 7.946 8.310 0.064 -0.154 0.478 151 Y N 6.514 126.820 120.300 0.009 0.000 2.529 151 Y HA -0.032 nan 4.550 nan 0.000 0.290 151 Y C -0.061 175.831 175.900 -0.013 0.000 1.177 151 Y CA 0.638 58.735 58.100 -0.005 0.000 1.305 151 Y CB -0.245 38.208 38.460 -0.012 0.000 1.047 151 Y HN 0.482 9.009 8.280 0.412 0.000 0.522 152 N N -1.314 117.457 118.700 0.118 0.000 2.336 152 N HA -0.020 nan 4.740 nan 0.000 0.189 152 N C -1.256 174.283 175.510 0.048 0.000 1.113 152 N CA 0.354 53.447 53.050 0.071 0.000 0.858 152 N CB 1.065 39.592 38.487 0.067 0.000 0.970 152 N HN -0.760 7.610 8.380 0.128 0.088 0.471 153 D N -0.558 119.864 120.400 0.036 0.000 2.462 153 D HA 0.484 nan 4.640 nan 0.000 0.245 153 D C -1.520 174.773 176.300 -0.013 0.000 1.122 153 D CA -3.239 50.796 54.000 0.059 0.000 0.864 153 D CB 1.398 42.254 40.800 0.094 0.000 1.098 153 D HN -0.743 7.568 8.370 0.026 0.075 0.541 154 P HA -0.238 nan 4.420 nan 0.000 0.216 154 P C 0.929 178.021 177.300 -0.347 0.000 1.150 154 P CA 1.839 64.761 63.100 -0.297 0.000 0.843 154 P CB 0.275 31.757 31.700 -0.363 0.000 0.787 155 Y N -4.025 116.314 120.300 0.064 0.000 2.242 155 Y HA -0.382 nan 4.550 nan 0.000 0.291 155 Y C 2.647 178.589 175.900 0.070 0.000 1.137 155 Y CA 4.055 62.267 58.100 0.188 0.000 1.181 155 Y CB -0.899 37.687 38.460 0.210 0.000 0.989 155 Y HN -0.501 8.010 8.280 0.121 -0.158 0.527 156 Q N -0.763 119.118 119.800 0.135 0.000 2.046 156 Q HA -0.305 nan 4.340 nan 0.000 0.200 156 Q C 2.522 178.489 176.000 -0.055 0.000 0.975 156 Q CA 3.455 59.285 55.803 0.045 0.000 0.836 156 Q CB -0.027 28.722 28.738 0.019 0.000 0.896 156 Q HN -0.469 8.042 8.270 0.147 -0.153 0.428 157 V N -1.213 118.596 119.914 -0.175 0.000 2.626 157 V HA -0.344 nan 4.120 nan 0.000 0.252 157 V C 2.235 178.264 176.094 -0.107 0.000 1.067 157 V CA 4.011 66.166 62.300 -0.242 0.000 1.081 157 V CB -1.061 30.490 31.823 -0.455 0.000 0.686 157 V HN -0.338 7.742 8.190 -0.183 0.000 0.468 158 R N -1.860 118.509 120.500 -0.218 0.000 2.128 158 R HA -0.039 nan 4.340 nan 0.000 0.211 158 R C 1.389 177.697 176.300 0.013 0.000 1.067 158 R CA 2.622 58.574 56.100 -0.247 0.000 1.010 158 R CB 0.522 30.303 30.300 -0.866 0.000 0.922 158 R HN -0.403 7.693 8.270 -0.248 0.024 0.457 159 D N -3.295 117.179 120.400 0.124 0.000 2.389 159 D HA 0.177 nan 4.640 nan 0.000 0.206 159 D C -0.471 175.905 176.300 0.128 0.000 1.055 159 D CA 0.646 54.765 54.000 0.198 0.000 0.856 159 D CB 1.387 42.366 40.800 0.298 0.000 0.957 159 D HN -0.175 8.256 8.370 0.101 0.000 0.509 160 c N -2.210 116.436 118.600 0.077 0.000 2.354 160 c HA 0.287 nan 4.570 nan 0.000 0.381 160 c C -0.725 173.373 174.090 0.014 0.000 1.240 160 c CA -1.490 54.867 56.329 0.047 0.000 2.089 160 c CB 2.282 44.810 42.510 0.030 0.000 2.234 160 c HN -0.511 7.754 8.230 0.058 0.000 0.544 161 Q N -0.189 119.610 119.800 -0.003 0.000 2.286 161 Q HA -0.039 nan 4.340 nan 0.000 0.267 161 Q C -0.810 175.129 176.000 -0.102 0.000 1.028 161 Q CA -0.387 55.392 55.803 -0.040 0.000 0.901 161 Q CB 0.312 29.028 28.738 -0.036 0.000 1.183 161 Q HN 0.182 8.456 8.270 0.007 0.000 0.392 162 L N 5.582 126.695 121.223 -0.183 0.000 2.325 162 L HA 0.100 nan 4.340 nan 0.000 0.284 162 L C -0.345 176.384 176.870 -0.235 0.000 1.089 162 L CA 0.526 55.191 54.840 -0.291 0.000 0.836 162 L CB 0.640 42.389 42.059 -0.516 0.000 1.184 162 L HN 0.601 8.731 8.230 -0.166 0.000 0.444 163 V N 1.664 121.482 119.914 -0.159 0.000 5.359 163 V HA -0.362 nan 4.120 nan 0.000 0.278 163 V C 0.188 176.191 176.094 -0.151 0.000 0.622 163 V CA 0.345 62.557 62.300 -0.147 0.000 0.649 163 V CB -3.171 28.547 31.823 -0.175 0.000 0.408 163 V HN 0.850 8.971 8.190 -0.116 0.000 0.918 164 G N -1.809 106.919 108.800 -0.119 0.000 2.184 164 G HA2 -0.476 nan 3.960 nan 0.000 0.264 164 G HA3 -0.476 nan 3.960 nan 0.000 0.264 164 G C -0.900 173.938 174.900 -0.104 0.000 0.975 164 G CA 0.295 45.336 45.100 -0.099 0.000 0.642 164 G HN 0.109 8.327 8.290 -0.105 0.010 0.536 165 L N -0.255 120.878 121.223 -0.150 0.000 2.331 165 L HA 0.092 nan 4.340 nan 0.000 0.278 165 L C -0.162 176.683 176.870 -0.042 0.000 1.106 165 L CA -0.425 54.328 54.840 -0.144 0.000 0.824 165 L CB 0.475 42.294 42.059 -0.399 0.000 1.142 165 L HN -0.364 7.575 8.230 -0.190 0.177 0.443 166 L N 3.526 124.757 121.223 0.014 0.000 2.562 166 L HA -0.218 nan 4.340 nan 0.000 0.271 166 L C -0.354 176.674 176.870 0.263 0.000 1.167 166 L CA 0.562 55.435 54.840 0.055 0.000 0.917 166 L CB 0.103 42.085 42.059 -0.128 0.000 1.187 166 L HN -0.004 8.231 8.230 0.009 0.000 0.482 167 D N 5.404 125.958 120.400 0.256 0.000 2.316 167 D HA 0.154 nan 4.640 nan 0.000 0.245 167 D C -0.868 175.554 176.300 0.202 0.000 1.171 167 D CA -0.286 53.845 54.000 0.218 0.000 0.856 167 D CB 1.000 41.881 40.800 0.135 0.000 1.090 167 D HN 0.020 8.502 8.370 0.186 0.000 0.476 168 L N 5.270 126.491 121.223 -0.004 0.000 2.453 168 L HA 0.050 nan 4.340 nan 0.000 0.272 168 L C -0.159 176.617 176.870 -0.155 0.000 1.182 168 L CA -0.340 54.311 54.840 -0.315 0.000 0.858 168 L CB 0.314 42.147 42.059 -0.376 0.000 1.120 168 L HN -0.088 8.161 8.230 0.032 0.000 0.474 169 A N 6.979 129.677 122.820 -0.204 0.000 2.990 169 A HA 0.108 nan 4.320 nan 0.000 0.282 169 A C 0.598 178.166 177.584 -0.027 0.000 1.688 169 A CA -0.615 51.396 52.037 -0.044 0.000 1.391 169 A CB -1.076 17.921 19.000 -0.005 0.000 1.112 169 A HN 0.885 8.695 8.150 -0.399 0.101 0.588 170 L N 2.317 123.545 121.223 0.008 0.000 2.642 170 L HA -0.249 nan 4.340 nan 0.000 0.236 170 L C 0.427 177.323 176.870 0.043 0.000 1.169 170 L CA 1.857 56.711 54.840 0.023 0.000 0.851 170 L CB -1.080 41.011 42.059 0.053 0.000 0.968 170 L HN -0.338 7.878 8.230 0.034 0.034 0.453 171 E N -2.102 118.126 120.200 0.047 0.000 2.385 171 E HA -0.143 nan 4.350 nan 0.000 0.194 171 E C 0.112 176.732 176.600 0.032 0.000 1.013 171 E CA 0.345 56.761 56.400 0.027 0.000 0.866 171 E CB -0.512 29.188 29.700 -0.001 0.000 0.832 171 E HN 0.119 8.442 8.360 0.054 0.069 0.500 172 K N 1.703 122.133 120.400 0.051 0.000 2.322 172 K HA 0.018 nan 4.320 nan 0.000 0.283 172 K C 0.291 176.943 176.600 0.088 0.000 1.042 172 K CA 0.002 56.340 56.287 0.085 0.000 0.958 172 K CB 0.457 33.036 32.500 0.133 0.000 0.984 172 K HN -0.667 7.571 8.250 0.047 0.040 0.473 173 D N 4.601 125.057 120.400 0.094 0.000 2.178 173 D HA -0.296 nan 4.640 nan 0.000 0.201 173 D C 0.777 177.146 176.300 0.115 0.000 0.980 173 D CA 2.943 56.993 54.000 0.082 0.000 0.842 173 D CB -0.121 40.723 40.800 0.074 0.000 0.948 173 D HN 0.612 9.036 8.370 0.091 0.000 0.472 174 Y N -0.928 119.413 120.300 0.069 0.000 2.114 174 Y HA -0.360 nan 4.550 nan 0.000 0.284 174 Y C 1.180 177.152 175.900 0.119 0.000 1.143 174 Y CA 3.479 61.638 58.100 0.098 0.000 1.135 174 Y CB -0.396 38.149 38.460 0.141 0.000 0.980 174 Y HN -0.248 8.185 8.280 0.289 0.020 0.499 175 V N -0.736 119.197 119.914 0.032 0.000 2.295 175 V HA -0.483 nan 4.120 nan 0.000 0.246 175 V C 2.322 178.379 176.094 -0.062 0.000 1.049 175 V CA 4.130 66.419 62.300 -0.018 0.000 1.024 175 V CB -1.110 30.701 31.823 -0.021 0.000 0.648 175 V HN -0.041 8.273 8.190 0.207 0.000 0.447 176 R N -1.767 118.709 120.500 -0.041 0.000 2.091 176 R HA -0.463 nan 4.340 nan 0.000 0.238 176 R C 2.620 178.865 176.300 -0.092 0.000 1.136 176 R CA 3.903 59.970 56.100 -0.055 0.000 0.959 176 R CB -0.518 29.767 30.300 -0.024 0.000 0.856 176 R HN 0.120 8.389 8.270 -0.003 0.000 0.437 177 S N 0.540 116.180 115.700 -0.101 0.000 2.383 177 S HA -0.260 nan 4.470 nan 0.000 0.227 177 S C 2.147 176.643 174.600 -0.174 0.000 1.026 177 S CA 3.174 61.305 58.200 -0.116 0.000 0.981 177 S CB -0.161 62.996 63.200 -0.072 0.000 0.818 177 S HN 0.146 8.210 8.310 -0.081 0.197 0.472 178 M N 1.643 121.087 119.600 -0.259 0.000 2.117 178 M HA -0.298 nan 4.480 nan 0.000 0.262 178 M C 2.324 178.486 176.300 -0.229 0.000 1.065 178 M CA 2.363 57.511 55.300 -0.253 0.000 1.114 178 M CB -0.810 31.599 32.600 -0.320 0.000 1.361 178 M HN -0.177 7.844 8.290 -0.319 0.078 0.408 179 I N -0.973 119.472 120.570 -0.209 0.000 2.252 179 I HA -0.504 nan 4.170 nan 0.000 0.245 179 I C 1.378 177.330 176.117 -0.275 0.000 1.102 179 I CA 3.926 65.052 61.300 -0.291 0.000 1.385 179 I CB -0.613 37.276 38.000 -0.186 0.000 1.064 179 I HN -0.076 8.048 8.210 -0.143 0.000 0.414 180 A N -0.149 122.536 122.820 -0.224 0.000 1.940 180 A HA -0.419 nan 4.320 nan 0.000 0.219 180 A C 1.897 179.335 177.584 -0.244 0.000 1.176 180 A CA 3.576 55.472 52.037 -0.234 0.000 0.631 180 A CB -1.131 17.768 19.000 -0.168 0.000 0.814 180 A HN 0.181 8.220 8.150 -0.185 0.000 0.446 181 D N -1.128 119.159 120.400 -0.187 0.000 2.144 181 D HA -0.248 nan 4.640 nan 0.000 0.199 181 D C 2.043 178.263 176.300 -0.133 0.000 0.984 181 D CA 3.407 57.322 54.000 -0.141 0.000 0.834 181 D CB -0.226 40.523 40.800 -0.086 0.000 0.955 181 D HN -0.180 8.074 8.370 -0.176 0.010 0.465 182 Y N 1.423 121.523 120.300 -0.333 0.000 2.114 182 Y HA -0.343 nan 4.550 nan 0.000 0.284 182 Y C 1.557 177.277 175.900 -0.300 0.000 1.143 182 Y CA 2.844 60.725 58.100 -0.364 0.000 1.135 182 Y CB -0.057 37.963 38.460 -0.734 0.000 0.980 182 Y HN -0.739 7.358 8.280 -0.167 0.083 0.499 183 L N -2.492 118.339 121.223 -0.653 0.000 2.083 183 L HA -0.535 nan 4.340 nan 0.000 0.209 183 L C 2.412 179.069 176.870 -0.355 0.000 1.083 183 L CA 3.018 57.418 54.840 -0.733 0.000 0.752 183 L CB -0.758 40.769 42.059 -0.886 0.000 0.899 183 L HN 0.172 8.109 8.230 -0.488 0.000 0.433 184 N N -1.027 117.468 118.700 -0.342 0.000 2.244 184 N HA -0.265 nan 4.740 nan 0.000 0.183 184 N C 2.016 177.423 175.510 -0.171 0.000 1.016 184 N CA 3.106 55.937 53.050 -0.366 0.000 0.866 184 N CB -0.534 37.553 38.487 -0.666 0.000 0.980 184 N HN 0.264 8.322 8.380 -0.359 0.106 0.430 185 K N 1.179 121.503 120.400 -0.126 0.000 2.097 185 K HA -0.266 nan 4.320 nan 0.000 0.206 185 K C 2.329 178.932 176.600 0.005 0.000 1.049 185 K CA 3.173 59.445 56.287 -0.025 0.000 0.933 185 K CB -0.149 32.347 32.500 -0.006 0.000 0.717 185 K HN -0.531 7.599 8.250 -0.175 0.015 0.442 186 L N -1.029 120.165 121.223 -0.048 0.000 2.027 186 L HA -0.261 nan 4.340 nan 0.000 0.206 186 L C 2.326 179.236 176.870 0.068 0.000 1.074 186 L CA 2.523 57.385 54.840 0.037 0.000 0.745 186 L CB -0.708 41.368 42.059 0.028 0.000 0.898 186 L HN -0.674 7.370 8.230 -0.154 0.094 0.433 187 I N 0.017 120.628 120.570 0.069 0.000 2.163 187 I HA -0.613 nan 4.170 nan 0.000 0.243 187 I C 2.565 178.739 176.117 0.094 0.000 1.085 187 I CA 4.265 65.591 61.300 0.045 0.000 1.347 187 I CB -0.421 37.610 38.000 0.051 0.000 1.044 187 I HN 0.062 8.309 8.210 0.063 0.000 0.408 188 D N 0.007 120.482 120.400 0.126 0.000 2.178 188 D HA -0.222 nan 4.640 nan 0.000 0.201 188 D C 1.762 178.170 176.300 0.181 0.000 0.980 188 D CA 3.032 57.132 54.000 0.167 0.000 0.842 188 D CB -0.407 40.493 40.800 0.166 0.000 0.948 188 D HN -0.154 8.272 8.370 0.094 0.000 0.472 189 I N -4.531 116.132 120.570 0.154 0.000 2.493 189 I HA -0.285 nan 4.170 nan 0.000 0.254 189 I C 0.112 176.330 176.117 0.167 0.000 1.160 189 I CA 1.754 63.151 61.300 0.162 0.000 1.445 189 I CB 0.595 38.693 38.000 0.164 0.000 1.086 189 I HN -0.626 7.539 8.210 0.126 0.121 0.433 190 G N -4.703 104.183 108.800 0.143 0.000 2.234 190 G HA2 -0.206 nan 3.960 nan 0.000 0.153 190 G HA3 -0.206 nan 3.960 nan 0.000 0.153 190 G C -0.688 174.183 174.900 -0.048 0.000 1.013 190 G CA -0.720 44.454 45.100 0.123 0.000 0.712 190 G HN -0.717 7.500 8.290 0.120 0.145 0.491 191 V N 1.539 121.374 119.914 -0.132 0.000 2.763 191 V HA -0.117 nan 4.120 nan 0.000 0.306 191 V C -0.839 175.011 176.094 -0.406 0.000 1.059 191 V CA 1.125 63.245 62.300 -0.299 0.000 1.138 191 V CB -0.361 31.283 31.823 -0.298 0.000 0.940 191 V HN -0.673 7.480 8.190 -0.062 0.000 0.489 192 A N 5.149 127.656 122.820 -0.522 0.000 2.147 192 A HA 0.329 nan 4.320 nan 0.000 0.211 192 A C -1.162 176.177 177.584 -0.407 0.000 1.160 192 A CA 1.134 52.845 52.037 -0.543 0.000 0.781 192 A CB 2.016 20.768 19.000 -0.413 0.000 0.842 192 A HN 0.696 8.481 8.150 -0.607 0.000 0.475 193 G N -5.679 102.804 108.800 -0.527 0.000 2.342 193 G HA2 0.528 nan 3.960 nan 0.000 0.297 193 G HA3 0.528 nan 3.960 nan 0.000 0.297 193 G C -3.170 171.265 174.900 -0.775 0.000 1.313 193 G CA 0.616 45.493 45.100 -0.373 0.000 0.830 193 G HN -0.870 6.984 8.290 -0.727 0.000 0.506 194 F N -3.697 116.218 119.950 -0.059 0.000 2.599 194 F HA 0.742 nan 4.527 nan 0.000 0.311 194 F C -2.074 173.295 175.800 -0.718 0.000 1.076 194 F CA -1.499 56.346 58.000 -0.259 0.000 0.937 194 F CB 5.107 43.963 39.000 -0.240 0.000 1.282 194 F HN 0.444 8.685 8.300 -0.098 0.000 0.460 195 R N 1.936 122.063 120.500 -0.622 0.000 2.229 195 R HA 0.561 nan 4.340 nan 0.000 0.328 195 R C -1.171 174.914 176.300 -0.358 0.000 1.009 195 R CA -1.136 54.338 56.100 -1.044 0.000 0.864 195 R CB 1.548 31.413 30.300 -0.724 0.000 1.085 195 R HN 0.862 8.864 8.270 -0.258 0.113 0.453 196 I N 8.552 128.951 120.570 -0.285 0.000 2.281 196 I HA 0.117 nan 4.170 nan 0.000 0.293 196 I C -1.240 174.854 176.117 -0.039 0.000 1.085 196 I CA -2.723 58.505 61.300 -0.120 0.000 1.257 196 I CB -2.114 35.824 38.000 -0.103 0.000 1.430 196 I HN 0.776 8.654 8.210 -0.372 0.109 0.489 197 D N 8.702 129.125 120.400 0.038 0.000 2.443 197 D HA -0.161 nan 4.640 nan 0.000 0.239 197 D C 0.125 176.492 176.300 0.113 0.000 1.136 197 D CA 0.907 54.985 54.000 0.131 0.000 0.879 197 D CB 1.253 42.212 40.800 0.265 0.000 1.195 197 D HN -0.113 8.279 8.370 0.037 0.000 0.443 198 A N 5.129 128.035 122.820 0.144 0.000 2.745 198 A HA -0.376 nan 4.320 nan 0.000 0.296 198 A C 1.270 178.912 177.584 0.098 0.000 1.500 198 A CA 1.090 53.243 52.037 0.192 0.000 0.766 198 A CB -1.481 17.698 19.000 0.299 0.000 1.030 198 A HN 0.610 9.172 8.150 0.147 -0.324 0.489 199 S N 0.129 115.803 115.700 -0.043 0.000 2.419 199 S HA -0.349 nan 4.470 nan 0.000 0.235 199 S C 1.910 176.341 174.600 -0.283 0.000 1.019 199 S CA 3.604 61.704 58.200 -0.167 0.000 0.982 199 S CB -0.320 62.689 63.200 -0.317 0.000 0.789 199 S HN -0.109 8.177 8.310 -0.040 0.000 0.490 200 K N 1.608 121.797 120.400 -0.353 0.000 2.280 200 K HA -0.280 nan 4.320 nan 0.000 0.202 200 K C 1.462 177.789 176.600 -0.454 0.000 1.047 200 K CA 2.493 58.533 56.287 -0.411 0.000 0.942 200 K CB -0.116 32.098 32.500 -0.477 0.000 0.739 200 K HN -0.674 7.384 8.250 -0.271 0.030 0.457 201 H N -3.746 115.259 119.070 -0.110 0.000 2.524 201 H HA 0.018 nan 4.556 nan 0.000 0.280 201 H C -0.292 174.955 175.328 -0.134 0.000 1.018 201 H CA 0.066 56.035 56.048 -0.132 0.000 1.165 201 H CB -0.302 29.425 29.762 -0.059 0.000 1.411 201 H HN -0.423 7.630 8.280 -0.114 0.159 0.569 202 M N -1.280 118.286 119.600 -0.056 0.000 2.572 202 M HA 0.236 nan 4.480 nan 0.000 0.299 202 M C -2.069 174.175 176.300 -0.094 0.000 1.205 202 M CA -1.101 54.183 55.300 -0.027 0.000 0.876 202 M CB 4.440 37.087 32.600 0.079 0.000 1.728 202 M HN -0.569 7.516 8.290 -0.048 0.176 0.458 203 W N 0.780 122.101 121.300 0.034 0.000 2.238 203 W HA 0.184 nan 4.660 nan 0.000 0.321 203 W C -1.206 175.285 176.519 -0.047 0.000 1.293 203 W CA -0.417 56.906 57.345 -0.038 0.000 1.204 203 W CB -0.812 28.616 29.460 -0.053 0.000 1.167 203 W HN 0.687 8.997 8.180 0.217 0.000 0.553 204 P HA -0.272 nan 4.420 nan 0.000 0.216 204 P C 1.444 178.760 177.300 0.026 0.000 1.150 204 P CA 3.821 66.849 63.100 -0.120 0.000 0.843 204 P CB 0.069 31.538 31.700 -0.386 0.000 0.787 205 G N -4.271 104.570 108.800 0.068 0.000 2.408 205 G HA2 -0.243 nan 3.960 nan 0.000 0.217 205 G HA3 -0.243 nan 3.960 nan 0.000 0.217 205 G C 1.411 176.347 174.900 0.061 0.000 1.150 205 G CA 1.827 46.957 45.100 0.050 0.000 0.776 205 G HN 0.385 8.729 8.290 0.110 0.012 0.542 206 D N 2.773 123.241 120.400 0.113 0.000 2.117 206 D HA -0.150 nan 4.640 nan 0.000 0.198 206 D C 2.254 178.590 176.300 0.059 0.000 0.982 206 D CA 2.932 56.987 54.000 0.092 0.000 0.828 206 D CB -0.292 40.599 40.800 0.152 0.000 0.967 206 D HN -0.821 7.564 8.370 0.189 0.098 0.464 207 I N -0.066 120.549 120.570 0.075 0.000 2.226 207 I HA -0.556 nan 4.170 nan 0.000 0.245 207 I C 1.606 177.733 176.117 0.016 0.000 1.100 207 I CA 3.887 65.213 61.300 0.044 0.000 1.374 207 I CB -0.133 37.920 38.000 0.088 0.000 1.057 207 I HN -0.376 7.900 8.210 0.111 0.000 0.413 208 K N -0.033 120.384 120.400 0.029 0.000 2.063 208 K HA -0.383 nan 4.320 nan 0.000 0.208 208 K C 1.756 178.356 176.600 -0.001 0.000 1.048 208 K CA 2.796 59.092 56.287 0.014 0.000 0.928 208 K CB -0.758 31.755 32.500 0.021 0.000 0.713 208 K HN -0.122 8.156 8.250 0.045 0.000 0.442 209 A N -1.864 120.958 122.820 0.002 0.000 1.908 209 A HA -0.227 nan 4.320 nan 0.000 0.218 209 A C 2.529 180.098 177.584 -0.025 0.000 1.181 209 A CA 3.076 55.110 52.037 -0.006 0.000 0.627 209 A CB -0.753 18.247 19.000 0.000 0.000 0.818 209 A HN -0.350 7.723 8.150 0.014 0.084 0.445 210 V N -0.696 119.195 119.914 -0.039 0.000 2.307 210 V HA -0.353 nan 4.120 nan 0.000 0.245 210 V C 2.566 178.606 176.094 -0.090 0.000 1.045 210 V CA 3.937 66.191 62.300 -0.077 0.000 1.024 210 V CB -0.683 31.078 31.823 -0.103 0.000 0.651 210 V HN -0.591 7.583 8.190 -0.026 0.000 0.449 211 L N -0.824 120.354 121.223 -0.074 0.000 2.079 211 L HA -0.386 nan 4.340 nan 0.000 0.210 211 L C 2.537 179.381 176.870 -0.044 0.000 1.081 211 L CA 2.556 57.355 54.840 -0.068 0.000 0.752 211 L CB -1.559 40.471 42.059 -0.048 0.000 0.896 211 L HN 0.241 8.436 8.230 -0.058 0.000 0.433 212 D N -0.842 119.540 120.400 -0.029 0.000 2.309 212 D HA -0.175 nan 4.640 nan 0.000 0.212 212 D C 1.309 177.603 176.300 -0.010 0.000 0.968 212 D CA 2.624 56.617 54.000 -0.012 0.000 0.882 212 D CB -0.505 40.292 40.800 -0.004 0.000 0.918 212 D HN -0.080 8.264 8.370 -0.027 0.010 0.503 213 K N -3.081 117.301 120.400 -0.031 0.000 2.404 213 K HA -0.046 nan 4.320 nan 0.000 0.194 213 K C 0.052 176.626 176.600 -0.045 0.000 1.023 213 K CA 0.114 56.384 56.287 -0.029 0.000 1.094 213 K CB 0.640 33.109 32.500 -0.053 0.000 0.841 213 K HN -0.460 7.587 8.250 -0.047 0.175 0.523 214 L N -1.025 120.165 121.223 -0.056 0.000 2.395 214 L HA 0.042 nan 4.340 nan 0.000 0.269 214 L C 0.502 177.400 176.870 0.046 0.000 1.133 214 L CA -0.563 54.230 54.840 -0.078 0.000 0.812 214 L CB 0.530 42.547 42.059 -0.070 0.000 1.125 214 L HN -0.517 7.506 8.230 -0.047 0.179 0.452 215 H N 4.403 123.464 119.070 -0.016 0.000 2.597 215 H HA -0.082 nan 4.556 nan 0.000 0.370 215 H C -1.061 174.257 175.328 -0.016 0.000 1.281 215 H CA -0.230 55.812 56.048 -0.010 0.000 1.422 215 H CB 1.020 30.780 29.762 -0.003 0.000 1.524 215 H HN 0.654 9.213 8.280 -0.188 -0.392 0.607 216 N N -1.059 117.714 118.700 0.122 0.000 2.381 216 N HA 0.176 nan 4.740 nan 0.000 0.254 216 N C -0.505 175.018 175.510 0.022 0.000 1.264 216 N CA -0.474 52.599 53.050 0.039 0.000 0.942 216 N CB 0.778 39.280 38.487 0.026 0.000 1.190 216 N HN 0.016 8.461 8.380 0.109 0.000 0.495 217 L N -0.139 121.040 121.223 -0.073 0.000 2.467 217 L HA -0.130 nan 4.340 nan 0.000 0.270 217 L C 0.185 177.107 176.870 0.087 0.000 1.205 217 L CA 0.043 54.785 54.840 -0.163 0.000 0.828 217 L CB 0.328 41.958 42.059 -0.716 0.000 1.101 217 L HN 0.263 8.436 8.230 -0.095 0.000 0.479 218 N N 1.117 119.961 118.700 0.239 0.000 2.417 218 N HA -0.125 nan 4.740 nan 0.000 0.272 218 N C 1.326 177.054 175.510 0.365 0.000 1.304 218 N CA 0.690 53.939 53.050 0.332 0.000 0.906 218 N CB 1.475 40.249 38.487 0.478 0.000 1.135 218 N HN 0.324 8.811 8.380 0.180 0.000 0.483 219 T N 1.534 116.179 114.554 0.153 0.000 3.077 219 T HA -0.202 nan 4.350 nan 0.000 0.269 219 T C 1.077 175.743 174.700 -0.057 0.000 1.146 219 T CA 1.698 63.846 62.100 0.080 0.000 1.091 219 T CB -0.805 68.076 68.868 0.022 0.000 0.892 219 T HN 0.329 8.629 8.240 0.099 0.000 0.533 220 N N -0.133 118.440 118.700 -0.212 0.000 2.244 220 N HA -0.155 nan 4.740 nan 0.000 0.183 220 N C 0.780 175.885 175.510 -0.675 0.000 1.016 220 N CA 2.662 55.342 53.050 -0.616 0.000 0.866 220 N CB 0.559 38.312 38.487 -1.223 0.000 0.980 220 N HN 0.176 8.783 8.380 -0.128 -0.305 0.430 221 W N -5.777 115.442 121.300 -0.136 0.000 2.661 221 W HA 0.127 nan 4.660 nan 0.000 0.288 221 W C -1.011 175.154 176.519 -0.590 0.000 1.014 221 W CA 0.604 57.702 57.345 -0.411 0.000 1.396 221 W CB 1.833 30.907 29.460 -0.643 0.000 0.963 221 W HN -0.474 7.738 8.180 0.088 0.021 0.584 222 F N -1.518 118.535 119.950 0.172 0.000 2.522 222 F HA 0.170 nan 4.527 nan 0.000 0.324 222 F C -2.333 173.494 175.800 0.044 0.000 1.077 222 F CA -2.711 55.346 58.000 0.094 0.000 0.944 222 F CB 0.364 39.415 39.000 0.086 0.000 1.175 222 F HN -0.555 7.925 8.300 0.299 0.000 0.468 223 P HA -0.029 nan 4.420 nan 0.000 0.269 223 P C -1.209 176.157 177.300 0.110 0.000 1.215 223 P CA -0.424 62.745 63.100 0.115 0.000 0.780 223 P CB 0.373 32.128 31.700 0.092 0.000 0.898 224 A N 1.897 124.756 122.820 0.065 0.000 2.511 224 A HA -0.048 nan 4.320 nan 0.000 0.242 224 A C 0.603 178.213 177.584 0.044 0.000 1.069 224 A CA 0.811 52.877 52.037 0.049 0.000 0.763 224 A CB -0.079 18.936 19.000 0.026 0.000 1.001 224 A HN 0.162 8.342 8.150 0.049 0.000 0.498 225 G N 3.174 111.996 108.800 0.036 0.000 2.141 225 G HA2 -0.259 nan 3.960 nan 0.000 0.242 225 G HA3 -0.259 nan 3.960 nan 0.000 0.242 225 G C -0.391 174.525 174.900 0.027 0.000 0.982 225 G CA -0.064 45.053 45.100 0.028 0.000 0.662 225 G HN 0.553 8.864 8.290 0.036 0.000 0.527 226 S N 2.006 117.725 115.700 0.031 0.000 2.505 226 S HA 0.019 nan 4.470 nan 0.000 0.276 226 S C -0.627 173.951 174.600 -0.036 0.000 1.274 226 S CA 0.935 59.140 58.200 0.008 0.000 1.053 226 S CB 0.508 63.723 63.200 0.024 0.000 0.919 226 S HN -0.611 7.684 8.310 0.047 0.043 0.490 227 R N 4.715 125.200 120.500 -0.026 0.000 2.457 227 R HA 0.415 nan 4.340 nan 0.000 0.284 227 R C -2.434 173.836 176.300 -0.050 0.000 1.024 227 R CA -3.584 52.498 56.100 -0.029 0.000 1.025 227 R CB -0.325 29.969 30.300 -0.011 0.000 1.063 227 R HN 0.377 8.643 8.270 -0.007 0.000 0.493 228 P HA 0.138 nan 4.420 nan 0.000 0.271 228 P C -1.752 175.588 177.300 0.067 0.000 1.216 228 P CA -0.094 62.981 63.100 -0.042 0.000 0.776 228 P CB 0.512 32.217 31.700 0.008 0.000 0.881 229 F N 4.971 124.889 119.950 -0.052 0.000 2.484 229 F HA -0.040 nan 4.527 nan 0.000 0.360 229 F C -1.592 174.242 175.800 0.057 0.000 1.101 229 F CA 0.258 58.257 58.000 -0.001 0.000 1.251 229 F CB 1.312 40.355 39.000 0.072 0.000 1.132 229 F HN 0.056 8.474 8.300 0.197 0.000 0.570 230 I N 6.587 126.888 120.570 -0.448 0.000 2.447 230 I HA 0.565 nan 4.170 nan 0.000 0.287 230 I C -2.089 173.737 176.117 -0.485 0.000 1.023 230 I CA -1.624 59.433 61.300 -0.404 0.000 1.083 230 I CB 2.198 40.087 38.000 -0.186 0.000 1.245 230 I HN -0.100 7.903 8.210 -0.346 0.000 0.434 231 F N 4.434 124.044 119.950 -0.567 0.000 2.507 231 F HA 0.705 nan 4.527 nan 0.000 0.328 231 F C -2.206 173.501 175.800 -0.154 0.000 1.136 231 F CA -2.960 54.817 58.000 -0.372 0.000 0.930 231 F CB 1.641 40.397 39.000 -0.408 0.000 1.166 231 F HN 0.694 8.596 8.300 -0.665 0.000 0.436 232 Q N 3.534 123.355 119.800 0.036 0.000 2.257 232 Q HA 0.290 nan 4.340 nan 0.000 0.255 232 Q C -1.275 174.750 176.000 0.041 0.000 0.920 232 Q CA -1.482 54.308 55.803 -0.022 0.000 0.927 232 Q CB 1.949 30.657 28.738 -0.049 0.000 1.229 232 Q HN 0.909 9.130 8.270 0.097 0.108 0.433 233 E N 4.982 125.202 120.200 0.034 0.000 2.070 233 E HA 0.228 nan 4.350 nan 0.000 0.282 233 E C -1.768 174.852 176.600 0.033 0.000 1.104 233 E CA 0.145 56.630 56.400 0.142 0.000 0.876 233 E CB 0.815 30.612 29.700 0.163 0.000 1.055 233 E HN 0.112 8.465 8.360 -0.013 0.000 0.401 234 V N 7.798 127.765 119.914 0.087 0.000 2.569 234 V HA 0.227 nan 4.120 nan 0.000 0.301 234 V C -1.141 174.992 176.094 0.066 0.000 1.044 234 V CA -0.942 61.317 62.300 -0.068 0.000 0.874 234 V CB 2.512 34.199 31.823 -0.226 0.000 1.002 234 V HN 0.384 8.731 8.190 0.262 0.000 0.424 235 I N 8.014 128.513 120.570 -0.120 0.000 2.287 235 I HA 0.045 nan 4.170 nan 0.000 0.290 235 I C -1.581 174.496 176.117 -0.067 0.000 1.069 235 I CA -0.621 60.534 61.300 -0.241 0.000 1.237 235 I CB 0.701 38.395 38.000 -0.510 0.000 1.418 235 I HN 0.123 8.240 8.210 -0.155 0.000 0.481 236 D N 7.400 127.826 120.400 0.045 0.000 2.389 236 D HA 0.203 nan 4.640 nan 0.000 0.256 236 D C -0.840 175.507 176.300 0.078 0.000 1.239 236 D CA -1.035 52.995 54.000 0.051 0.000 0.925 236 D CB 0.835 41.674 40.800 0.064 0.000 1.145 236 D HN 0.035 8.488 8.370 0.138 0.000 0.542 237 L N 2.535 123.791 121.223 0.055 0.000 2.628 237 L HA 0.127 nan 4.340 nan 0.000 0.229 237 L C 0.573 177.481 176.870 0.064 0.000 1.137 237 L CA -1.054 53.828 54.840 0.071 0.000 0.909 237 L CB 0.021 42.117 42.059 0.060 0.000 1.137 237 L HN 0.321 8.567 8.230 0.027 0.000 0.470 238 G N -1.902 106.928 108.800 0.051 0.000 2.176 238 G HA2 -0.212 nan 3.960 nan 0.000 0.232 238 G HA3 -0.212 nan 3.960 nan 0.000 0.232 238 G C 0.317 175.234 174.900 0.028 0.000 0.986 238 G CA 0.102 45.227 45.100 0.043 0.000 0.643 238 G HN -0.458 7.999 8.290 0.047 -0.138 0.522 239 G N -0.134 108.679 108.800 0.022 0.000 3.591 239 G HA2 0.038 nan 3.960 nan 0.000 0.282 239 G HA3 0.038 nan 3.960 nan 0.000 0.282 239 G C -1.011 173.900 174.900 0.019 0.000 1.238 239 G CA -0.496 44.613 45.100 0.015 0.000 0.993 239 G HN 0.274 8.577 8.290 0.022 0.000 0.542 240 E N -3.524 116.690 120.200 0.024 0.000 2.449 240 E HA 0.148 nan 4.350 nan 0.000 0.278 240 E C -1.232 175.382 176.600 0.023 0.000 1.059 240 E CA -0.900 55.520 56.400 0.034 0.000 0.854 240 E CB 0.706 30.442 29.700 0.059 0.000 1.465 240 E HN -0.816 7.489 8.360 0.023 0.069 0.462 241 A N -0.945 121.888 122.820 0.021 0.000 1.902 241 A HA -0.130 nan 4.320 nan 0.000 0.217 241 A C 0.104 177.672 177.584 -0.026 0.000 1.181 241 A CA 2.135 54.170 52.037 -0.002 0.000 0.623 241 A CB 0.298 19.293 19.000 -0.008 0.000 0.818 241 A HN 0.489 8.662 8.150 0.039 0.000 0.443 242 I N -1.587 118.960 120.570 -0.037 0.000 2.428 242 I HA -0.067 nan 4.170 nan 0.000 0.289 242 I C -0.913 175.202 176.117 -0.005 0.000 1.019 242 I CA -0.256 61.018 61.300 -0.044 0.000 1.351 242 I CB 0.437 38.392 38.000 -0.076 0.000 1.412 242 I HN -0.485 7.710 8.210 -0.026 0.000 0.513 243 Q N 4.398 124.197 119.800 -0.001 0.000 2.345 243 Q HA 0.345 nan 4.340 nan 0.000 0.268 243 Q C 0.848 176.861 176.000 0.022 0.000 1.054 243 Q CA -1.839 53.961 55.803 -0.004 0.000 0.835 243 Q CB 3.337 32.048 28.738 -0.045 0.000 1.339 243 Q HN -0.162 8.383 8.270 -0.021 -0.287 0.447 244 S N 3.787 119.494 115.700 0.011 0.000 2.400 244 S HA -0.360 nan 4.470 nan 0.000 0.232 244 S C 1.884 176.295 174.600 -0.315 0.000 1.025 244 S CA 3.429 61.644 58.200 0.025 0.000 0.993 244 S CB -0.333 62.943 63.200 0.126 0.000 0.808 244 S HN 0.743 9.392 8.310 0.022 -0.326 0.478 245 S N 2.561 117.861 115.700 -0.665 0.000 2.419 245 S HA -0.262 nan 4.470 nan 0.000 0.235 245 S C 2.177 176.330 174.600 -0.743 0.000 1.019 245 S CA 2.580 59.952 58.200 -1.380 0.000 0.982 245 S CB -0.513 62.283 63.200 -0.675 0.000 0.789 245 S HN 0.268 8.340 8.310 -0.359 0.023 0.490 246 E N 2.159 122.137 120.200 -0.370 0.000 2.333 246 E HA -0.235 nan 4.350 nan 0.000 0.198 246 E C 1.267 177.593 176.600 -0.456 0.000 1.007 246 E CA 2.249 58.427 56.400 -0.369 0.000 0.845 246 E CB -0.155 29.283 29.700 -0.437 0.000 0.766 246 E HN -0.461 7.707 8.360 -0.262 0.035 0.507 247 Y N -4.915 115.305 120.300 -0.134 0.000 2.467 247 Y HA 0.098 nan 4.550 nan 0.000 0.250 247 Y C 0.869 176.907 175.900 0.230 0.000 1.155 247 Y CA -0.309 57.813 58.100 0.036 0.000 1.249 247 Y CB 0.213 38.702 38.460 0.049 0.000 1.146 247 Y HN -0.325 7.774 8.280 -0.019 0.170 0.524 248 F N 0.694 120.766 119.950 0.204 0.000 2.250 248 F HA -0.250 nan 4.527 nan 0.000 0.301 248 F C 1.829 177.790 175.800 0.267 0.000 1.077 248 F CA 1.243 59.374 58.000 0.219 0.000 1.348 248 F CB -1.250 37.835 39.000 0.141 0.000 1.040 248 F HN -0.627 7.527 8.300 0.032 0.165 0.509 249 G N -3.574 105.439 108.800 0.356 0.000 2.650 249 G HA2 -0.194 nan 3.960 nan 0.000 0.214 249 G HA3 -0.194 nan 3.960 nan 0.000 0.214 249 G C 0.251 175.265 174.900 0.189 0.000 1.136 249 G CA 0.548 45.807 45.100 0.265 0.000 0.789 249 G HN 0.357 8.774 8.290 0.266 0.032 0.536 250 N N -0.963 117.839 118.700 0.169 0.000 2.388 250 N HA 0.143 nan 4.740 nan 0.000 0.176 250 N C 0.080 175.548 175.510 -0.070 0.000 1.062 250 N CA 0.203 53.288 53.050 0.057 0.000 0.895 250 N CB 1.688 40.234 38.487 0.098 0.000 1.018 250 N HN -0.472 7.897 8.380 0.242 0.156 0.456 251 G N -1.798 106.990 108.800 -0.020 0.000 2.356 251 G HA2 -0.071 nan 3.960 nan 0.000 0.266 251 G HA3 -0.071 nan 3.960 nan 0.000 0.266 251 G C -1.868 173.149 174.900 0.194 0.000 1.312 251 G CA -0.124 44.839 45.100 -0.228 0.000 0.922 251 G HN -0.925 7.494 8.290 0.215 0.000 0.480 252 R N -0.875 119.712 120.500 0.145 0.000 2.637 252 R HA 0.504 nan 4.340 nan 0.000 0.269 252 R C -1.057 175.367 176.300 0.206 0.000 1.089 252 R CA 0.514 56.742 56.100 0.213 0.000 1.177 252 R CB 1.364 31.768 30.300 0.172 0.000 1.091 252 R HN 0.203 8.460 8.270 -0.023 0.000 0.540 253 V N -0.405 119.648 119.914 0.233 0.000 2.876 253 V HA 0.635 nan 4.120 nan 0.000 0.312 253 V C -0.560 175.663 176.094 0.214 0.000 1.085 253 V CA -1.673 60.775 62.300 0.248 0.000 0.945 253 V CB 3.460 35.499 31.823 0.360 0.000 1.017 253 V HN 0.653 8.963 8.190 0.199 0.000 0.428 254 T N 2.149 116.846 114.554 0.237 0.000 2.853 254 T HA 0.085 nan 4.350 nan 0.000 0.298 254 T C -0.226 174.582 174.700 0.180 0.000 0.978 254 T CA -0.715 61.528 62.100 0.239 0.000 1.152 254 T CB -0.157 68.895 68.868 0.307 0.000 0.914 254 T HN 0.459 8.843 8.240 0.241 0.000 0.539 255 E N 7.173 127.368 120.200 -0.008 0.000 1.986 255 E HA 0.165 nan 4.350 nan 0.000 0.264 255 E C -0.056 176.368 176.600 -0.293 0.000 1.023 255 E CA -2.575 53.774 56.400 -0.085 0.000 0.834 255 E CB -0.351 29.279 29.700 -0.116 0.000 1.111 255 E HN 0.032 8.364 8.360 -0.048 0.000 0.417 256 F N 6.341 126.243 119.950 -0.079 0.000 2.502 256 F HA -0.261 nan 4.527 nan 0.000 0.298 256 F C 0.942 176.652 175.800 -0.150 0.000 1.111 256 F CA 2.966 60.911 58.000 -0.091 0.000 1.445 256 F CB 0.140 39.175 39.000 0.059 0.000 1.081 256 F HN -0.077 8.434 8.300 0.352 0.000 0.558 257 K N -0.576 119.779 120.400 -0.076 0.000 2.148 257 K HA -0.390 nan 4.320 nan 0.000 0.204 257 K C 1.582 177.971 176.600 -0.352 0.000 1.050 257 K CA 2.880 59.080 56.287 -0.145 0.000 0.942 257 K CB -0.402 32.010 32.500 -0.147 0.000 0.724 257 K HN -0.234 8.207 8.250 -0.078 -0.238 0.446 258 Y N 0.875 120.683 120.300 -0.819 0.000 2.030 258 Y HA -0.480 nan 4.550 nan 0.000 0.274 258 Y C 1.735 177.515 175.900 -0.200 0.000 1.153 258 Y CA 4.279 61.951 58.100 -0.714 0.000 1.115 258 Y CB -0.388 37.669 38.460 -0.671 0.000 0.969 258 Y HN -0.698 7.212 8.280 -0.575 0.025 0.488 259 G N -3.567 105.228 108.800 -0.007 0.000 2.432 259 G HA2 -0.454 nan 3.960 nan 0.000 0.219 259 G HA3 -0.454 nan 3.960 nan 0.000 0.219 259 G C 0.602 175.518 174.900 0.026 0.000 1.135 259 G CA 1.615 46.729 45.100 0.023 0.000 0.767 259 G HN 0.418 8.583 8.290 -0.208 0.000 0.550 260 A N 1.486 124.331 122.820 0.042 0.000 1.898 260 A HA -0.190 nan 4.320 nan 0.000 0.216 260 A C 1.968 179.601 177.584 0.081 0.000 1.181 260 A CA 2.886 54.966 52.037 0.072 0.000 0.620 260 A CB -0.639 18.424 19.000 0.106 0.000 0.819 260 A HN -0.635 7.527 8.150 0.020 0.000 0.442 261 K N -1.336 119.146 120.400 0.137 0.000 2.025 261 K HA -0.232 nan 4.320 nan 0.000 0.207 261 K C 2.394 179.031 176.600 0.062 0.000 1.049 261 K CA 2.390 58.818 56.287 0.235 0.000 0.933 261 K CB -0.372 32.415 32.500 0.478 0.000 0.714 261 K HN -0.316 8.005 8.250 0.117 0.000 0.438 262 L N -1.080 120.123 121.223 -0.034 0.000 2.042 262 L HA -0.329 nan 4.340 nan 0.000 0.210 262 L C 1.790 178.470 176.870 -0.316 0.000 1.076 262 L CA 3.061 57.665 54.840 -0.393 0.000 0.749 262 L CB -0.441 41.370 42.059 -0.413 0.000 0.893 262 L HN 0.236 8.521 8.230 0.091 0.000 0.432 263 G N -2.710 105.980 108.800 -0.183 0.000 2.418 263 G HA2 -0.424 nan 3.960 nan 0.000 0.217 263 G HA3 -0.424 nan 3.960 nan 0.000 0.217 263 G C 1.043 175.761 174.900 -0.303 0.000 1.158 263 G CA 2.451 47.421 45.100 -0.218 0.000 0.771 263 G HN -0.099 8.129 8.290 -0.104 0.000 0.545 264 T N 5.044 119.492 114.554 -0.176 0.000 2.746 264 T HA -0.273 nan 4.350 nan 0.000 0.267 264 T C 2.147 176.760 174.700 -0.145 0.000 1.039 264 T CA 4.654 66.686 62.100 -0.113 0.000 1.142 264 T CB -0.450 68.476 68.868 0.097 0.000 0.866 264 T HN -0.664 7.523 8.240 -0.088 0.000 0.444 265 V N 1.717 121.537 119.914 -0.157 0.000 2.270 265 V HA -0.274 nan 4.120 nan 0.000 0.245 265 V C 2.385 178.294 176.094 -0.308 0.000 1.043 265 V CA 4.585 66.764 62.300 -0.200 0.000 1.014 265 V CB -0.854 30.779 31.823 -0.317 0.000 0.645 265 V HN -0.291 7.805 8.190 -0.156 0.000 0.447 266 V N 0.120 119.797 119.914 -0.394 0.000 2.490 266 V HA -0.357 nan 4.120 nan 0.000 0.250 266 V C 1.661 177.553 176.094 -0.336 0.000 1.061 266 V CA 3.387 65.457 62.300 -0.384 0.000 1.064 266 V CB -0.819 30.772 31.823 -0.386 0.000 0.670 266 V HN 0.074 8.014 8.190 -0.416 0.000 0.461 267 R N -4.432 115.809 120.500 -0.432 0.000 2.275 267 R HA -0.023 nan 4.340 nan 0.000 0.199 267 R C -0.532 175.565 176.300 -0.338 0.000 0.989 267 R CA -0.020 55.747 56.100 -0.555 0.000 1.016 267 R CB 0.445 30.002 30.300 -1.237 0.000 0.918 267 R HN -0.549 7.427 8.270 -0.460 0.018 0.473 268 K N -4.698 115.579 120.400 -0.205 0.000 3.161 268 K HA -0.369 nan 4.320 nan 0.000 0.270 268 K C -0.637 176.089 176.600 0.209 0.000 1.115 268 K CA 0.601 56.873 56.287 -0.024 0.000 0.789 268 K CB -2.068 30.414 32.500 -0.030 0.000 1.256 268 K HN -0.273 7.629 8.250 -0.255 0.194 0.492 269 W N -0.396 120.892 121.300 -0.021 0.000 2.497 269 W HA 0.184 nan 4.660 nan 0.000 0.359 269 W C 0.653 177.182 176.519 0.017 0.000 1.131 269 W CA -1.646 55.697 57.345 -0.003 0.000 1.280 269 W CB 0.623 30.081 29.460 -0.003 0.000 1.319 269 W HN 0.229 8.473 8.180 0.108 0.000 0.626 270 S N -0.775 115.063 115.700 0.231 0.000 3.533 270 S HA -0.359 nan 4.470 nan 0.000 0.347 270 S C 0.276 174.953 174.600 0.128 0.000 1.101 270 S CA 0.999 59.281 58.200 0.138 0.000 1.009 270 S CB -1.012 62.278 63.200 0.149 0.000 0.916 270 S HN 0.633 9.044 8.310 0.169 0.000 0.496 271 G N -3.298 105.578 108.800 0.126 0.000 2.155 271 G HA2 -0.326 nan 3.960 nan 0.000 0.257 271 G HA3 -0.326 nan 3.960 nan 0.000 0.257 271 G C 0.039 175.047 174.900 0.180 0.000 0.983 271 G CA 0.355 45.530 45.100 0.126 0.000 0.676 271 G HN 0.310 8.655 8.290 0.127 0.021 0.528 272 E N 0.462 120.766 120.200 0.174 0.000 2.366 272 E HA -0.000 nan 4.350 nan 0.000 0.266 272 E C -0.848 175.729 176.600 -0.037 0.000 1.051 272 E CA -0.254 56.266 56.400 0.201 0.000 0.884 272 E CB 1.063 30.881 29.700 0.198 0.000 1.006 272 E HN -0.271 8.021 8.360 0.166 0.167 0.417 273 K N 0.606 120.820 120.400 -0.310 0.000 2.435 273 K HA 0.374 nan 4.320 nan 0.000 0.251 273 K C 0.378 176.738 176.600 -0.400 0.000 0.954 273 K CA -1.852 54.154 56.287 -0.468 0.000 0.820 273 K CB 2.617 34.665 32.500 -0.754 0.000 1.292 273 K HN 0.002 8.071 8.250 -0.302 0.000 0.436 274 M N 3.183 122.592 119.600 -0.317 0.000 2.279 274 M HA -0.360 nan 4.480 nan 0.000 0.264 274 M C 1.739 177.980 176.300 -0.099 0.000 1.062 274 M CA 3.728 58.858 55.300 -0.283 0.000 1.099 274 M CB 0.108 32.514 32.600 -0.323 0.000 1.394 274 M HN 0.811 9.290 8.290 -0.304 -0.372 0.426 275 S N 0.916 116.545 115.700 -0.119 0.000 2.469 275 S HA -0.286 nan 4.470 nan 0.000 0.238 275 S C 2.250 177.023 174.600 0.287 0.000 0.998 275 S CA 2.674 60.949 58.200 0.124 0.000 0.957 275 S CB -0.433 62.762 63.200 -0.009 0.000 0.764 275 S HN -0.194 7.929 8.310 -0.264 0.028 0.514 276 Y N 1.061 121.442 120.300 0.134 0.000 2.509 276 Y HA -0.095 nan 4.550 nan 0.000 0.293 276 Y C 0.835 176.894 175.900 0.264 0.000 1.133 276 Y CA -0.557 57.644 58.100 0.168 0.000 1.283 276 Y CB -0.726 37.856 38.460 0.202 0.000 1.001 276 Y HN -0.399 7.664 8.280 -0.090 0.163 0.555 277 L N -2.705 118.653 121.223 0.226 0.000 2.622 277 L HA -0.273 nan 4.340 nan 0.000 0.233 277 L C 1.659 178.401 176.870 -0.213 0.000 1.156 277 L CA 0.812 55.619 54.840 -0.056 0.000 0.866 277 L CB -1.304 40.491 42.059 -0.441 0.000 0.980 277 L HN -0.016 8.152 8.230 0.180 0.171 0.448 278 K N 1.368 121.469 120.400 -0.498 0.000 2.074 278 K HA -0.387 nan 4.320 nan 0.000 0.209 278 K C 0.532 176.788 176.600 -0.572 0.000 1.048 278 K CA 3.087 58.662 56.287 -1.186 0.000 0.926 278 K CB -0.183 31.769 32.500 -0.914 0.000 0.713 278 K HN -0.481 7.576 8.250 -0.160 0.097 0.444 279 N N -5.342 113.240 118.700 -0.196 0.000 2.380 279 N HA 0.112 nan 4.740 nan 0.000 0.255 279 N C -0.443 175.074 175.510 0.011 0.000 1.158 279 N CA -1.613 51.369 53.050 -0.113 0.000 0.878 279 N CB -0.122 38.318 38.487 -0.078 0.000 1.138 279 N HN -0.673 7.680 8.380 -0.032 0.008 0.509 280 W N 2.174 123.248 121.300 -0.378 0.000 2.293 280 W HA -0.385 nan 4.660 nan 0.000 0.342 280 W C -0.291 175.853 176.519 -0.626 0.000 1.274 280 W CA 2.494 59.378 57.345 -0.769 0.000 1.290 280 W CB 0.563 29.503 29.460 -0.866 0.000 1.176 280 W HN -0.247 7.716 8.180 -0.063 0.180 0.570 281 G N 4.985 112.983 108.800 -1.336 0.000 2.395 281 G HA2 -0.346 nan 3.960 nan 0.000 0.201 281 G HA3 -0.346 nan 3.960 nan 0.000 0.201 281 G C -0.107 174.283 174.900 -0.850 0.000 1.206 281 G CA -0.155 44.254 45.100 -1.151 0.000 1.210 281 G HN -0.149 6.914 8.290 -2.045 0.000 0.557 282 E N 4.991 124.981 120.200 -0.350 0.000 2.209 282 E HA -0.282 nan 4.350 nan 0.000 0.196 282 E C 2.433 178.901 176.600 -0.221 0.000 0.993 282 E CA 2.858 59.157 56.400 -0.168 0.000 0.819 282 E CB -0.236 29.459 29.700 -0.010 0.000 0.745 282 E HN 0.504 8.757 8.360 -0.178 0.000 0.477 283 G N -0.856 107.807 108.800 -0.229 0.000 2.448 283 G HA2 -0.233 nan 3.960 nan 0.000 0.219 283 G HA3 -0.233 nan 3.960 nan 0.000 0.219 283 G C 0.222 174.980 174.900 -0.237 0.000 1.127 283 G CA 1.225 46.221 45.100 -0.173 0.000 0.766 283 G HN -0.007 8.102 8.290 -0.243 0.035 0.552 284 W N 0.427 121.282 121.300 -0.742 0.000 3.353 284 W HA 0.117 nan 4.660 nan 0.000 0.304 284 W C -0.139 175.963 176.519 -0.695 0.000 1.273 284 W CA -0.738 56.098 57.345 -0.847 0.000 1.773 284 W CB -0.256 28.361 29.460 -1.405 0.000 1.095 284 W HN -0.470 7.284 8.180 -0.466 0.146 0.676 285 G N -2.510 106.107 108.800 -0.305 0.000 2.132 285 G HA2 -0.380 nan 3.960 nan 0.000 0.228 285 G HA3 -0.380 nan 3.960 nan 0.000 0.228 285 G C -0.753 174.228 174.900 0.136 0.000 1.000 285 G CA -0.148 44.905 45.100 -0.077 0.000 0.693 285 G HN -0.169 7.737 8.290 -0.307 0.200 0.515 286 F N -0.693 119.195 119.950 -0.102 0.000 2.368 286 F HA 0.393 nan 4.527 nan 0.000 0.315 286 F C 0.529 176.371 175.800 0.070 0.000 1.145 286 F CA -1.866 56.088 58.000 -0.077 0.000 1.095 286 F CB 0.899 39.693 39.000 -0.345 0.000 1.286 286 F HN -1.046 7.090 8.300 -0.274 0.000 0.530 287 M N 0.873 120.705 119.600 0.388 0.000 2.157 287 M HA 0.214 nan 4.480 nan 0.000 0.304 287 M C -1.639 174.817 176.300 0.259 0.000 1.171 287 M CA -1.068 54.432 55.300 0.334 0.000 1.157 287 M CB -0.810 32.020 32.600 0.383 0.000 1.403 287 M HN 0.237 9.070 8.290 0.374 -0.319 0.473 288 P HA -0.015 nan 4.420 nan 0.000 0.265 288 P C 0.150 177.394 177.300 -0.093 0.000 1.193 288 P CA 0.006 63.094 63.100 -0.020 0.000 0.765 288 P CB 0.399 31.990 31.700 -0.181 0.000 0.823 289 S N 4.538 120.193 115.700 -0.075 0.000 2.380 289 S HA -0.418 nan 4.470 nan 0.000 0.229 289 S C 1.143 175.537 174.600 -0.342 0.000 1.043 289 S CA 3.753 61.702 58.200 -0.418 0.000 1.038 289 S CB -0.150 62.919 63.200 -0.218 0.000 0.872 289 S HN 0.406 9.076 8.310 0.061 -0.323 0.456 290 D N -2.437 117.824 120.400 -0.232 0.000 2.378 290 D HA -0.127 nan 4.640 nan 0.000 0.227 290 D C 0.581 176.744 176.300 -0.229 0.000 1.012 290 D CA 1.278 55.154 54.000 -0.208 0.000 0.905 290 D CB -0.971 39.705 40.800 -0.208 0.000 0.895 290 D HN 0.369 8.611 8.370 -0.196 0.010 0.532 291 R N -3.471 116.860 120.500 -0.281 0.000 2.476 291 R HA 0.258 nan 4.340 nan 0.000 0.276 291 R C -1.418 174.816 176.300 -0.109 0.000 0.941 291 R CA -1.134 54.807 56.100 -0.265 0.000 1.088 291 R CB 1.076 30.915 30.300 -0.767 0.000 1.216 291 R HN -0.147 7.741 8.270 -0.301 0.201 0.533 292 A N -0.596 122.135 122.820 -0.148 0.000 2.312 292 A HA 0.643 nan 4.320 nan 0.000 0.326 292 A C -2.287 175.255 177.584 -0.070 0.000 1.172 292 A CA -1.452 50.518 52.037 -0.111 0.000 0.821 292 A CB 2.059 20.913 19.000 -0.244 0.000 1.166 292 A HN -0.429 7.415 8.150 -0.231 0.168 0.493 293 L N 4.498 125.713 121.223 -0.012 0.000 2.325 293 L HA 0.789 nan 4.340 nan 0.000 0.281 293 L C -2.062 174.783 176.870 -0.041 0.000 1.004 293 L CA -0.945 53.896 54.840 0.002 0.000 0.823 293 L CB 2.905 44.950 42.059 -0.024 0.000 1.236 293 L HN -0.010 8.234 8.230 0.023 0.000 0.415 294 V N 0.525 120.338 119.914 -0.168 0.000 2.881 294 V HA 0.821 nan 4.120 nan 0.000 0.316 294 V C -2.385 173.581 176.094 -0.213 0.000 1.070 294 V CA -2.879 59.137 62.300 -0.473 0.000 0.976 294 V CB 2.826 34.061 31.823 -0.979 0.000 1.038 294 V HN 0.870 8.964 8.190 -0.160 0.000 0.446 295 F N -3.669 116.051 119.950 -0.383 0.000 2.769 295 F HA 0.442 nan 4.527 nan 0.000 0.313 295 F C -1.445 174.344 175.800 -0.019 0.000 1.146 295 F CA -1.004 56.891 58.000 -0.176 0.000 0.934 295 F CB 1.233 40.145 39.000 -0.147 0.000 1.283 295 F HN -0.486 7.144 8.300 -1.118 0.000 0.443 296 V N -1.515 118.511 119.914 0.187 0.000 2.446 296 V HA -0.063 nan 4.120 nan 0.000 0.244 296 V C -0.957 175.316 176.094 0.298 0.000 1.039 296 V CA 2.545 64.962 62.300 0.195 0.000 1.045 296 V CB 0.033 31.952 31.823 0.160 0.000 0.681 296 V HN 0.829 9.159 8.190 0.232 0.000 0.459 297 D N -6.300 114.367 120.400 0.446 0.000 2.602 297 D HA 0.179 nan 4.640 nan 0.000 0.236 297 D C -1.731 174.790 176.300 0.369 0.000 1.209 297 D CA -2.012 52.240 54.000 0.420 0.000 0.831 297 D CB 2.934 43.936 40.800 0.338 0.000 1.478 297 D HN -0.544 8.098 8.370 0.453 0.000 0.438 298 N N -1.357 117.464 118.700 0.201 0.000 2.577 298 N HA 0.244 nan 4.740 nan 0.000 0.285 298 N C 0.597 176.015 175.510 -0.154 0.000 1.309 298 N CA -1.769 51.251 53.050 -0.051 0.000 0.798 298 N CB 2.609 40.906 38.487 -0.317 0.000 1.463 298 N HN 0.464 9.374 8.380 0.239 -0.386 0.518 299 H N -2.771 116.124 119.070 -0.292 0.000 2.426 299 H HA -0.377 nan 4.556 nan 0.000 0.298 299 H C 0.899 175.810 175.328 -0.694 0.000 1.107 299 H CA 3.978 59.576 56.048 -0.749 0.000 1.298 299 H CB -0.355 28.613 29.762 -1.323 0.000 1.377 299 H HN 0.500 8.802 8.280 0.037 0.000 0.519 300 D N -0.121 119.669 120.400 -1.016 0.000 2.146 300 D HA -0.141 nan 4.640 nan 0.000 0.209 300 D C 2.292 178.446 176.300 -0.244 0.000 0.973 300 D CA 2.552 56.175 54.000 -0.627 0.000 0.860 300 D CB 0.346 40.858 40.800 -0.479 0.000 1.015 300 D HN -0.556 7.197 8.370 -1.218 -0.113 0.465 301 N N 0.283 118.940 118.700 -0.072 0.000 2.571 301 N HA -0.247 nan 4.740 nan 0.000 0.189 301 N C 1.457 177.100 175.510 0.223 0.000 1.154 301 N CA 1.556 54.686 53.050 0.133 0.000 0.907 301 N CB -0.740 37.918 38.487 0.286 0.000 0.977 301 N HN 0.138 8.862 8.380 -0.079 -0.391 0.449 302 Q N -1.815 118.049 119.800 0.106 0.000 2.435 302 Q HA -0.204 nan 4.340 nan 0.000 0.207 302 Q C 0.218 176.358 176.000 0.234 0.000 0.956 302 Q CA 1.200 57.138 55.803 0.225 0.000 0.917 302 Q CB -0.010 28.850 28.738 0.203 0.000 0.997 302 Q HN -0.425 7.774 8.270 -0.028 0.055 0.497 303 R N -1.389 119.101 120.500 -0.016 0.000 2.691 303 R HA -0.033 nan 4.340 nan 0.000 0.259 303 R C 0.631 176.705 176.300 -0.377 0.000 1.048 303 R CA -0.598 55.464 56.100 -0.064 0.000 1.086 303 R CB 1.110 31.306 30.300 -0.174 0.000 1.166 303 R HN -0.611 7.547 8.270 -0.086 0.061 0.526 304 G N 0.328 109.012 108.800 -0.193 0.000 2.148 304 G HA2 -0.315 nan 3.960 nan 0.000 0.254 304 G HA3 -0.315 nan 3.960 nan 0.000 0.254 304 G C -0.022 174.754 174.900 -0.206 0.000 0.981 304 G CA 0.796 45.772 45.100 -0.206 0.000 0.670 304 G HN 0.377 8.901 8.290 0.003 -0.233 0.528 305 H N -1.988 117.147 119.070 0.109 0.000 2.486 305 H HA 0.253 nan 4.556 nan 0.000 0.284 305 H C 1.176 176.545 175.328 0.069 0.000 1.103 305 H CA -1.962 54.142 56.048 0.093 0.000 1.089 305 H CB -0.506 29.312 29.762 0.093 0.000 1.603 305 H HN -0.019 8.129 8.280 -0.155 0.039 0.557 306 G N 1.413 110.296 108.800 0.138 0.000 2.442 306 G HA2 -0.247 nan 3.960 nan 0.000 0.219 306 G HA3 -0.247 nan 3.960 nan 0.000 0.219 306 G C -0.247 174.881 174.900 0.381 0.000 1.141 306 G CA 1.063 46.285 45.100 0.204 0.000 0.763 306 G HN 0.243 8.522 8.290 0.086 0.063 0.554 307 A N -0.158 122.856 122.820 0.324 0.000 2.259 307 A HA 0.082 nan 4.320 nan 0.000 0.208 307 A C 0.194 177.832 177.584 0.089 0.000 1.201 307 A CA -0.299 51.826 52.037 0.147 0.000 0.824 307 A CB -0.334 18.746 19.000 0.133 0.000 0.838 307 A HN -0.210 8.111 8.150 0.311 0.016 0.485 308 G N -0.374 108.507 108.800 0.134 0.000 2.741 308 G HA2 -0.310 nan 3.960 nan 0.000 0.222 308 G HA3 -0.310 nan 3.960 nan 0.000 0.222 308 G C -0.059 174.920 174.900 0.132 0.000 1.364 308 G CA -1.099 44.081 45.100 0.132 0.000 0.866 308 G HN -0.564 7.643 8.290 0.173 0.186 0.555 309 G N -3.740 105.135 108.800 0.125 0.000 2.205 309 G HA2 -0.352 nan 3.960 nan 0.000 0.261 309 G HA3 -0.352 nan 3.960 nan 0.000 0.261 309 G C -1.304 173.714 174.900 0.197 0.000 0.980 309 G CA -0.044 45.086 45.100 0.049 0.000 0.632 309 G HN 0.213 8.599 8.290 0.160 0.000 0.533 310 A N -0.290 122.676 122.820 0.244 0.000 2.305 310 A HA 0.296 nan 4.320 nan 0.000 0.322 310 A C -0.014 177.651 177.584 0.134 0.000 1.187 310 A CA -1.052 51.044 52.037 0.099 0.000 0.825 310 A CB 1.081 19.898 19.000 -0.305 0.000 1.164 310 A HN -0.408 7.795 8.150 0.233 0.088 0.498 311 S N 2.973 118.725 115.700 0.086 0.000 2.496 311 S HA -0.119 nan 4.470 nan 0.000 0.224 311 S C 0.453 174.934 174.600 -0.199 0.000 0.996 311 S CA 0.990 59.098 58.200 -0.153 0.000 0.927 311 S CB 0.133 63.312 63.200 -0.036 0.000 0.774 311 S HN 0.441 8.817 8.310 0.110 0.000 0.524 312 I N 2.895 123.365 120.570 -0.167 0.000 2.821 312 I HA -0.251 nan 4.170 nan 0.000 0.294 312 I C -0.949 175.144 176.117 -0.041 0.000 1.210 312 I CA 0.629 61.878 61.300 -0.085 0.000 1.430 312 I CB -1.099 36.858 38.000 -0.072 0.000 1.356 312 I HN -0.311 7.738 8.210 -0.209 0.035 0.563 313 L N 8.192 129.448 121.223 0.055 0.000 2.325 313 L HA 0.215 nan 4.340 nan 0.000 0.279 313 L C -1.057 175.933 176.870 0.200 0.000 1.054 313 L CA -0.279 54.638 54.840 0.129 0.000 0.804 313 L CB 1.123 43.292 42.059 0.183 0.000 1.200 313 L HN 0.421 8.699 8.230 0.079 0.000 0.436 314 T N -5.090 109.451 114.554 -0.023 0.000 2.778 314 T HA 0.472 nan 4.350 nan 0.000 0.293 314 T C 0.727 174.952 174.700 -0.792 0.000 1.144 314 T CA -1.531 60.303 62.100 -0.443 0.000 1.010 314 T CB 3.270 72.054 68.868 -0.140 0.000 1.325 314 T HN -0.359 7.888 8.240 0.012 0.000 0.515 315 F N -1.458 117.974 119.950 -0.863 0.000 2.307 315 F HA -0.117 nan 4.527 nan 0.000 0.301 315 F C 0.977 176.689 175.800 -0.147 0.000 1.076 315 F CA 1.966 59.691 58.000 -0.459 0.000 1.383 315 F CB -0.543 38.210 39.000 -0.412 0.000 1.055 315 F HN 0.414 8.378 8.300 -0.559 0.000 0.526 316 W N -1.069 119.764 121.300 -0.779 0.000 2.392 316 W HA -0.286 nan 4.660 nan 0.000 0.279 316 W C 1.058 177.482 176.519 -0.158 0.000 1.225 316 W CA 1.211 58.259 57.345 -0.495 0.000 1.233 316 W CB 0.208 29.331 29.460 -0.562 0.000 1.122 316 W HN -0.817 6.668 8.180 -1.077 0.049 0.561 317 D N -1.034 119.432 120.400 0.109 0.000 2.863 317 D HA 0.286 nan 4.640 nan 0.000 0.323 317 D C -0.414 176.007 176.300 0.202 0.000 1.286 317 D CA -0.617 53.462 54.000 0.131 0.000 0.921 317 D CB -1.125 39.732 40.800 0.095 0.000 1.024 317 D HN -0.277 7.965 8.370 0.020 0.140 0.505 318 A N 1.463 124.421 122.820 0.231 0.000 1.896 318 A HA -0.488 nan 4.320 nan 0.000 0.220 318 A C 1.359 179.115 177.584 0.287 0.000 1.206 318 A CA 4.177 56.405 52.037 0.319 0.000 0.647 318 A CB -0.371 18.696 19.000 0.112 0.000 0.828 318 A HN -0.073 8.138 8.150 0.190 0.053 0.455 319 R N -1.384 119.216 120.500 0.166 0.000 2.080 319 R HA -0.277 nan 4.340 nan 0.000 0.236 319 R C 2.300 178.695 176.300 0.158 0.000 1.137 319 R CA 3.145 59.334 56.100 0.148 0.000 0.943 319 R CB -0.542 29.814 30.300 0.092 0.000 0.846 319 R HN -0.025 8.321 8.270 0.127 0.000 0.431 320 L N -2.608 118.686 121.223 0.119 0.000 2.141 320 L HA -0.245 nan 4.340 nan 0.000 0.209 320 L C 2.075 179.008 176.870 0.105 0.000 1.094 320 L CA 2.309 57.181 54.840 0.055 0.000 0.763 320 L CB -0.946 41.110 42.059 -0.005 0.000 0.908 320 L HN -0.471 7.826 8.230 0.112 0.000 0.437 321 Y N 0.337 120.687 120.300 0.084 0.000 2.145 321 Y HA -0.588 nan 4.550 nan 0.000 0.286 321 Y C 1.550 177.548 175.900 0.163 0.000 1.145 321 Y CA 3.902 62.080 58.100 0.130 0.000 1.148 321 Y CB -0.188 38.410 38.460 0.230 0.000 0.981 321 Y HN 0.277 8.746 8.280 0.345 0.017 0.507 322 K N -1.275 119.284 120.400 0.265 0.000 2.097 322 K HA -0.422 nan 4.320 nan 0.000 0.206 322 K C 2.524 179.128 176.600 0.007 0.000 1.049 322 K CA 3.752 60.182 56.287 0.239 0.000 0.933 322 K CB -0.258 32.507 32.500 0.441 0.000 0.717 322 K HN -0.139 8.354 8.250 0.404 0.000 0.442 323 V N -0.646 119.187 119.914 -0.135 0.000 2.307 323 V HA -0.359 nan 4.120 nan 0.000 0.245 323 V C 1.750 177.640 176.094 -0.341 0.000 1.045 323 V CA 4.224 66.238 62.300 -0.477 0.000 1.024 323 V CB -0.917 30.736 31.823 -0.283 0.000 0.651 323 V HN -0.595 7.590 8.190 0.011 0.011 0.449 324 A N -0.914 121.758 122.820 -0.248 0.000 1.877 324 A HA -0.287 nan 4.320 nan 0.000 0.216 324 A C 2.031 179.538 177.584 -0.129 0.000 1.186 324 A CA 3.624 55.524 52.037 -0.229 0.000 0.620 324 A CB -0.761 18.128 19.000 -0.184 0.000 0.822 324 A HN -0.243 7.796 8.150 -0.185 0.000 0.443 325 V N -1.758 118.038 119.914 -0.197 0.000 2.407 325 V HA -0.427 nan 4.120 nan 0.000 0.248 325 V C 2.157 178.241 176.094 -0.016 0.000 1.055 325 V CA 4.288 66.501 62.300 -0.145 0.000 1.049 325 V CB -0.989 30.663 31.823 -0.286 0.000 0.662 325 V HN 0.443 8.464 8.190 -0.280 0.000 0.455 326 G N -0.423 108.370 108.800 -0.012 0.000 2.418 326 G HA2 -0.320 nan 3.960 nan 0.000 0.217 326 G HA3 -0.320 nan 3.960 nan 0.000 0.217 326 G C 0.707 175.691 174.900 0.140 0.000 1.158 326 G CA 2.057 47.196 45.100 0.064 0.000 0.771 326 G HN -0.034 8.194 8.290 -0.087 0.009 0.545 327 F N 3.376 123.335 119.950 0.016 0.000 2.102 327 F HA -0.326 nan 4.527 nan 0.000 0.298 327 F C 1.040 176.924 175.800 0.140 0.000 1.105 327 F CA 3.224 61.251 58.000 0.044 0.000 1.239 327 F CB 0.542 39.273 39.000 -0.449 0.000 0.991 327 F HN -0.195 8.173 8.300 0.113 0.000 0.474 328 M N -0.006 119.737 119.600 0.238 0.000 2.080 328 M HA -0.489 nan 4.480 nan 0.000 0.260 328 M C 1.785 178.179 176.300 0.157 0.000 1.068 328 M CA 3.951 59.428 55.300 0.296 0.000 1.109 328 M CB 0.137 32.912 32.600 0.292 0.000 1.342 328 M HN -0.274 8.156 8.290 0.233 0.000 0.405 329 L N -3.633 117.636 121.223 0.077 0.000 2.191 329 L HA -0.229 nan 4.340 nan 0.000 0.212 329 L C 2.597 179.519 176.870 0.086 0.000 1.103 329 L CA 1.933 56.796 54.840 0.039 0.000 0.769 329 L CB -1.493 40.571 42.059 0.009 0.000 0.908 329 L HN -0.033 8.239 8.230 0.070 0.000 0.438 330 A N -0.892 121.966 122.820 0.063 0.000 1.984 330 A HA -0.059 nan 4.320 nan 0.000 0.214 330 A C -0.342 177.468 177.584 0.378 0.000 1.173 330 A CA 1.688 53.817 52.037 0.152 0.000 0.673 330 A CB 0.217 19.136 19.000 -0.136 0.000 0.830 330 A HN -0.335 7.700 8.150 0.036 0.136 0.453 331 H N 0.676 119.835 119.070 0.150 0.000 2.683 331 H HA 0.234 nan 4.556 nan 0.000 0.339 331 H C -1.035 174.392 175.328 0.165 0.000 1.081 331 H CA -0.414 55.692 56.048 0.098 0.000 1.432 331 H CB 1.623 31.296 29.762 -0.148 0.000 1.462 331 H HN -0.290 8.098 8.280 0.180 0.000 0.557 332 P HA -0.194 nan 4.420 nan 0.000 0.230 332 P C -1.110 176.281 177.300 0.151 0.000 1.158 332 P CA 0.864 63.977 63.100 0.022 0.000 0.769 332 P CB 0.090 31.761 31.700 -0.048 0.000 0.807 333 Y N 1.272 121.752 120.300 0.300 0.000 2.544 333 Y HA -0.457 nan 4.550 nan 0.000 0.330 333 Y C 0.079 176.046 175.900 0.112 0.000 1.136 333 Y CA 1.269 59.511 58.100 0.238 0.000 1.417 333 Y CB 0.398 39.049 38.460 0.318 0.000 1.229 333 Y HN -0.642 8.140 8.280 0.924 0.052 0.532 334 G N 8.053 116.468 108.800 -0.642 0.000 2.877 334 G HA2 -0.448 nan 3.960 nan 0.000 0.279 334 G HA3 -0.448 nan 3.960 nan 0.000 0.279 334 G C -2.594 172.194 174.900 -0.186 0.000 1.431 334 G CA -0.262 44.531 45.100 -0.512 0.000 0.883 334 G HN 0.196 8.051 8.290 -0.726 0.000 0.547 335 F N 0.590 120.389 119.950 -0.251 0.000 2.415 335 F HA 0.431 nan 4.527 nan 0.000 0.348 335 F C -0.992 174.690 175.800 -0.198 0.000 1.119 335 F CA -1.630 56.251 58.000 -0.199 0.000 1.069 335 F CB 2.618 41.507 39.000 -0.184 0.000 1.124 335 F HN -0.187 8.088 8.300 -0.042 0.000 0.472 336 T N 5.559 119.673 114.554 -0.733 0.000 2.882 336 T HA 0.492 nan 4.350 nan 0.000 0.287 336 T C -1.834 172.630 174.700 -0.393 0.000 0.992 336 T CA -1.610 60.215 62.100 -0.459 0.000 1.076 336 T CB 0.718 69.378 68.868 -0.346 0.000 0.961 336 T HN 0.353 7.950 8.240 -1.072 0.000 0.490 337 R N 3.804 124.209 120.500 -0.159 0.000 2.480 337 R HA 0.710 nan 4.340 nan 0.000 0.306 337 R C -0.923 175.390 176.300 0.022 0.000 0.958 337 R CA -1.159 54.898 56.100 -0.072 0.000 0.861 337 R CB 2.643 32.895 30.300 -0.079 0.000 1.171 337 R HN 0.065 8.275 8.270 -0.100 0.000 0.445 338 V N 7.620 127.568 119.914 0.056 0.000 2.481 338 V HA 0.291 nan 4.120 nan 0.000 0.286 338 V C -1.369 174.809 176.094 0.140 0.000 1.042 338 V CA -0.679 61.690 62.300 0.114 0.000 0.928 338 V CB 1.918 33.847 31.823 0.177 0.000 0.986 338 V HN 1.023 9.138 8.190 0.053 0.107 0.462 339 M N 5.987 125.688 119.600 0.169 0.000 2.314 339 M HA 0.406 nan 4.480 nan 0.000 0.342 339 M C -1.450 174.909 176.300 0.098 0.000 1.171 339 M CA -0.783 54.612 55.300 0.159 0.000 1.098 339 M CB 1.730 34.459 32.600 0.215 0.000 1.559 339 M HN 0.378 8.785 8.290 0.194 0.000 0.459 340 S N 3.831 119.555 115.700 0.040 0.000 2.779 340 S HA 0.323 nan 4.470 nan 0.000 0.293 340 S C -1.519 173.148 174.600 0.112 0.000 1.150 340 S CA -0.809 57.417 58.200 0.043 0.000 1.057 340 S CB 1.685 64.845 63.200 -0.067 0.000 1.021 340 S HN 0.095 8.420 8.310 0.025 0.000 0.485 341 S N 7.515 123.245 115.700 0.051 0.000 2.786 341 S HA 0.393 nan 4.470 nan 0.000 0.307 341 S C -2.093 172.583 174.600 0.126 0.000 1.121 341 S CA -1.204 57.027 58.200 0.052 0.000 0.975 341 S CB 2.641 65.722 63.200 -0.199 0.000 1.220 341 S HN 0.625 9.389 8.310 -0.083 -0.504 0.550 342 Y N -2.875 117.488 120.300 0.105 0.000 2.485 342 Y HA 0.726 nan 4.550 nan 0.000 0.345 342 Y C -1.644 174.237 175.900 -0.030 0.000 0.998 342 Y CA -2.802 55.244 58.100 -0.089 0.000 1.059 342 Y CB 3.068 41.309 38.460 -0.365 0.000 1.234 342 Y HN -0.363 7.723 8.280 -0.324 0.000 0.461 343 R N 0.800 121.318 120.500 0.029 0.000 2.457 343 R HA 0.270 nan 4.340 nan 0.000 0.284 343 R C -1.535 175.008 176.300 0.405 0.000 1.024 343 R CA -0.765 55.382 56.100 0.077 0.000 1.025 343 R CB 1.413 31.624 30.300 -0.150 0.000 1.063 343 R HN 0.619 8.857 8.270 -0.052 0.000 0.493 344 W N -0.699 120.802 121.300 0.335 0.000 2.902 344 W HA 0.260 nan 4.660 nan 0.000 0.346 344 W C -1.851 174.822 176.519 0.256 0.000 1.139 344 W CA -2.738 54.751 57.345 0.241 0.000 1.139 344 W CB 1.094 30.675 29.460 0.203 0.000 1.439 344 W HN -0.155 8.091 8.180 0.110 0.000 0.558 345 A N 1.064 124.011 122.820 0.211 0.000 2.395 345 A HA 0.080 nan 4.320 nan 0.000 0.286 345 A C -0.455 177.117 177.584 -0.020 0.000 1.193 345 A CA -0.594 51.476 52.037 0.054 0.000 0.852 345 A CB 0.204 19.238 19.000 0.056 0.000 1.118 345 A HN 0.298 8.608 8.150 0.267 0.000 0.524 346 R N 3.678 124.031 120.500 -0.246 0.000 2.429 346 R HA -0.074 nan 4.340 nan 0.000 0.302 346 R C -1.376 174.704 176.300 -0.367 0.000 1.268 346 R CA -0.184 55.679 56.100 -0.394 0.000 1.090 346 R CB -0.169 29.709 30.300 -0.703 0.000 1.102 346 R HN 0.293 8.402 8.270 -0.269 0.000 0.522 347 N N 3.932 122.457 118.700 -0.292 0.000 2.372 347 N HA 0.249 nan 4.740 nan 0.000 0.291 347 N C -1.775 173.570 175.510 -0.276 0.000 1.024 347 N CA -1.211 51.727 53.050 -0.187 0.000 0.873 347 N CB 2.514 40.988 38.487 -0.023 0.000 1.206 347 N HN -0.337 8.046 8.380 -0.200 -0.123 0.486 348 F N 0.039 120.007 119.950 0.030 0.000 2.399 348 F HA 0.538 nan 4.527 nan 0.000 0.334 348 F C 0.201 176.028 175.800 0.045 0.000 1.097 348 F CA -0.373 57.648 58.000 0.036 0.000 1.076 348 F CB 1.532 40.540 39.000 0.014 0.000 1.162 348 F HN 0.129 8.572 8.300 0.238 0.000 0.495 349 V N 4.503 124.562 119.914 0.243 0.000 2.419 349 V HA 0.119 nan 4.120 nan 0.000 0.287 349 V C -0.529 175.653 176.094 0.148 0.000 1.017 349 V CA -0.241 62.155 62.300 0.160 0.000 0.844 349 V CB 1.009 32.907 31.823 0.125 0.000 1.011 349 V HN 0.578 8.924 8.190 0.259 0.000 0.429 350 N N 8.060 126.829 118.700 0.115 0.000 2.735 350 N HA -0.256 nan 4.740 nan 0.000 0.248 350 N C 0.116 175.677 175.510 0.085 0.000 1.083 350 N CA 0.509 53.607 53.050 0.080 0.000 0.703 350 N CB -1.034 37.492 38.487 0.065 0.000 1.005 350 N HN 0.782 9.227 8.380 0.108 0.000 0.550 351 G N -5.976 102.886 108.800 0.104 0.000 2.157 351 G HA2 -0.425 nan 3.960 nan 0.000 0.248 351 G HA3 -0.425 nan 3.960 nan 0.000 0.248 351 G C -1.387 173.645 174.900 0.219 0.000 0.979 351 G CA -0.093 45.052 45.100 0.076 0.000 0.650 351 G HN 0.110 8.476 8.290 0.126 0.000 0.529 352 E N -0.112 120.285 120.200 0.328 0.000 2.292 352 E HA 0.199 nan 4.350 nan 0.000 0.272 352 E C -1.949 174.798 176.600 0.245 0.000 0.881 352 E CA -1.565 55.014 56.400 0.299 0.000 0.754 352 E CB 3.087 32.886 29.700 0.165 0.000 1.201 352 E HN -0.726 7.770 8.360 0.299 0.043 0.425 353 D N 2.726 123.159 120.400 0.055 0.000 2.389 353 D HA 0.114 nan 4.640 nan 0.000 0.247 353 D C 1.069 177.367 176.300 -0.003 0.000 1.128 353 D CA 0.614 54.474 54.000 -0.234 0.000 0.884 353 D CB 0.511 41.114 40.800 -0.328 0.000 1.194 353 D HN 0.271 8.717 8.370 0.127 0.000 0.441 354 V N -1.902 118.025 119.914 0.022 0.000 3.578 354 V HA 0.349 nan 4.120 nan 0.000 0.290 354 V C -0.400 175.818 176.094 0.206 0.000 1.376 354 V CA -0.694 61.708 62.300 0.169 0.000 1.083 354 V CB -0.631 31.308 31.823 0.193 0.000 0.911 354 V HN 0.145 8.299 8.190 -0.061 0.000 0.433 355 N N 0.530 119.245 118.700 0.025 0.000 2.275 355 N HA 0.191 nan 4.740 nan 0.000 0.236 355 N C 0.318 175.641 175.510 -0.312 0.000 1.154 355 N CA 0.253 53.163 53.050 -0.234 0.000 0.866 355 N CB 0.607 39.067 38.487 -0.045 0.000 1.093 355 N HN -0.262 8.393 8.380 0.017 -0.265 0.515 356 D N 1.373 121.727 120.400 -0.076 0.000 2.348 356 D HA -0.162 nan 4.640 nan 0.000 0.216 356 D C 0.771 177.191 176.300 0.200 0.000 0.970 356 D CA 2.985 56.955 54.000 -0.050 0.000 0.889 356 D CB -0.672 40.200 40.800 0.121 0.000 0.912 356 D HN 0.361 8.711 8.370 0.071 0.063 0.524 357 W N -5.044 116.421 121.300 0.275 0.000 2.737 357 W HA 0.083 nan 4.660 nan 0.000 0.262 357 W C -1.084 175.568 176.519 0.222 0.000 1.282 357 W CA -1.059 56.493 57.345 0.346 0.000 1.386 357 W CB -0.054 29.597 29.460 0.318 0.000 1.099 357 W HN -0.547 7.515 8.180 -0.095 0.062 0.621 358 I N 0.577 120.726 120.570 -0.700 0.000 2.989 358 I HA -0.426 nan 4.170 nan 0.000 0.311 358 I C 0.619 176.763 176.117 0.044 0.000 1.221 358 I CA 1.270 62.186 61.300 -0.640 0.000 1.449 358 I CB -0.352 37.249 38.000 -0.666 0.000 1.325 358 I HN -0.861 6.553 8.210 -1.148 0.107 0.557 359 G N 5.693 114.510 108.800 0.028 0.000 2.535 359 G HA2 0.253 nan 3.960 nan 0.000 0.282 359 G HA3 0.253 nan 3.960 nan 0.000 0.282 359 G C -2.136 172.482 174.900 -0.470 0.000 1.350 359 G CA -1.903 43.195 45.100 -0.003 0.000 1.039 359 G HN 0.128 8.419 8.290 0.001 0.000 0.509 360 P HA 0.053 nan 4.420 nan 0.000 0.270 360 P C -1.974 174.796 177.300 -0.884 0.000 1.227 360 P CA -1.060 61.195 63.100 -1.409 0.000 0.788 360 P CB -0.670 30.604 31.700 -0.709 0.000 0.926 361 P HA -0.059 nan 4.420 nan 0.000 0.262 361 P C -1.773 175.313 177.300 -0.356 0.000 1.182 361 P CA 1.122 63.850 63.100 -0.620 0.000 0.761 361 P CB 0.308 31.504 31.700 -0.841 0.000 0.795 362 N N 0.542 119.106 118.700 -0.225 0.000 2.708 362 N HA 0.309 nan 4.740 nan 0.000 0.257 362 N C -1.892 173.564 175.510 -0.090 0.000 1.373 362 N CA -0.683 52.284 53.050 -0.138 0.000 0.843 362 N CB 3.837 42.245 38.487 -0.132 0.000 1.503 362 N HN -0.191 8.062 8.380 -0.211 0.000 0.504 363 N N 0.537 119.198 118.700 -0.065 0.000 2.626 363 N HA 0.204 nan 4.740 nan 0.000 0.242 363 N C -0.415 175.072 175.510 -0.038 0.000 1.005 363 N CA -0.693 52.330 53.050 -0.045 0.000 0.905 363 N CB 1.415 39.881 38.487 -0.036 0.000 1.128 363 N HN 0.530 8.763 8.380 -0.064 0.108 0.512 364 N N 4.293 122.974 118.700 -0.031 0.000 2.727 364 N HA -0.480 nan 4.740 nan 0.000 0.249 364 N C -0.108 175.383 175.510 -0.032 0.000 1.048 364 N CA 0.643 53.678 53.050 -0.025 0.000 0.714 364 N CB -1.509 36.966 38.487 -0.020 0.000 0.959 364 N HN 0.883 9.245 8.380 -0.030 0.000 0.544 365 G N -6.912 101.863 108.800 -0.042 0.000 2.217 365 G HA2 -0.486 nan 3.960 nan 0.000 0.246 365 G HA3 -0.486 nan 3.960 nan 0.000 0.246 365 G C -0.991 173.872 174.900 -0.062 0.000 0.990 365 G CA 0.099 45.169 45.100 -0.051 0.000 0.627 365 G HN 0.069 8.648 8.290 -0.045 -0.316 0.522 366 V N 3.593 123.473 119.914 -0.057 0.000 2.385 366 V HA 0.150 nan 4.120 nan 0.000 0.269 366 V C 0.009 176.064 176.094 -0.066 0.000 1.043 366 V CA -0.887 61.378 62.300 -0.059 0.000 0.906 366 V CB -0.095 31.700 31.823 -0.046 0.000 0.995 366 V HN -0.335 7.637 8.190 -0.050 0.188 0.467 367 I N 8.711 129.236 120.570 -0.074 0.000 2.821 367 I HA -0.328 nan 4.170 nan 0.000 0.294 367 I C -0.587 175.522 176.117 -0.013 0.000 1.210 367 I CA 1.158 62.426 61.300 -0.054 0.000 1.430 367 I CB -0.337 37.635 38.000 -0.046 0.000 1.356 367 I HN 0.367 8.527 8.210 -0.084 0.000 0.563 368 K N 7.125 127.539 120.400 0.022 0.000 2.295 368 K HA -0.088 nan 4.320 nan 0.000 0.270 368 K C -0.450 176.224 176.600 0.123 0.000 1.011 368 K CA 0.215 56.536 56.287 0.057 0.000 0.953 368 K CB 0.414 32.935 32.500 0.035 0.000 0.956 368 K HN 0.234 8.356 8.250 -0.023 0.115 0.477 369 E N -0.119 120.091 120.200 0.017 0.000 2.392 369 E HA -0.025 nan 4.350 nan 0.000 0.259 369 E C -0.721 175.788 176.600 -0.152 0.000 1.108 369 E CA -0.735 55.600 56.400 -0.108 0.000 0.916 369 E CB 0.847 30.488 29.700 -0.098 0.000 0.989 369 E HN 0.061 8.423 8.360 0.005 0.000 0.432 370 V N 0.924 120.536 119.914 -0.503 0.000 2.389 370 V HA 0.077 nan 4.120 nan 0.000 0.264 370 V C -0.171 175.751 176.094 -0.286 0.000 1.049 370 V CA -0.082 61.814 62.300 -0.673 0.000 0.932 370 V CB -0.722 30.291 31.823 -1.349 0.000 1.011 370 V HN -0.313 7.920 8.190 -0.547 -0.371 0.475 371 T N 3.880 118.368 114.554 -0.109 0.000 2.837 371 T HA 0.353 nan 4.350 nan 0.000 0.285 371 T C -0.931 173.744 174.700 -0.043 0.000 0.984 371 T CA -1.682 60.384 62.100 -0.057 0.000 1.049 371 T CB 0.967 69.828 68.868 -0.012 0.000 0.947 371 T HN 0.126 8.357 8.240 -0.015 0.000 0.472 372 I N 2.696 123.243 120.570 -0.038 0.000 2.321 372 I HA 0.382 nan 4.170 nan 0.000 0.291 372 I C -0.145 175.966 176.117 -0.009 0.000 0.998 372 I CA -2.234 59.050 61.300 -0.026 0.000 1.227 372 I CB -0.078 37.907 38.000 -0.026 0.000 1.368 372 I HN 0.317 8.504 8.210 -0.039 0.000 0.466 373 N N 8.320 127.019 118.700 -0.002 0.000 2.463 373 N HA 0.138 nan 4.740 nan 0.000 0.270 373 N C 0.832 176.345 175.510 0.006 0.000 1.205 373 N CA -0.530 52.522 53.050 0.004 0.000 0.974 373 N CB 1.019 39.512 38.487 0.010 0.000 1.197 373 N HN 0.511 8.783 8.380 -0.002 0.107 0.504 374 A N 1.197 124.022 122.820 0.007 0.000 2.024 374 A HA -0.231 nan 4.320 nan 0.000 0.220 374 A C -0.038 177.553 177.584 0.012 0.000 1.164 374 A CA 2.614 54.657 52.037 0.010 0.000 0.643 374 A CB -0.393 18.611 19.000 0.008 0.000 0.806 374 A HN 0.415 8.569 8.150 0.006 0.000 0.451 375 D N -5.304 115.103 120.400 0.011 0.000 2.325 375 D HA -0.067 nan 4.640 nan 0.000 0.234 375 D C 0.059 176.372 176.300 0.021 0.000 1.122 375 D CA -0.957 53.051 54.000 0.014 0.000 0.850 375 D CB -1.067 39.738 40.800 0.008 0.000 0.921 375 D HN -0.309 8.038 8.370 0.010 0.029 0.513 376 T N -7.336 107.229 114.554 0.018 0.000 6.885 376 T HA -0.332 nan 4.350 nan 0.000 0.286 376 T C 0.382 175.072 174.700 -0.018 0.000 2.119 376 T CA 1.296 63.401 62.100 0.007 0.000 3.358 376 T CB -1.798 67.095 68.868 0.042 0.000 1.764 376 T HN 0.011 8.058 8.240 0.015 0.202 1.202 377 T N -2.484 112.075 114.554 0.009 0.000 2.862 377 T HA 0.312 nan 4.350 nan 0.000 0.276 377 T C -0.836 173.874 174.700 0.017 0.000 0.974 377 T CA -2.102 60.017 62.100 0.031 0.000 0.966 377 T CB 2.378 71.280 68.868 0.057 0.000 1.072 377 T HN -0.495 7.922 8.240 0.014 -0.168 0.538 378 c N 0.576 119.206 118.600 0.048 0.000 2.397 378 c HA 0.908 nan 4.570 nan 0.000 0.343 378 c C 0.355 174.493 174.090 0.080 0.000 1.188 378 c CA -0.680 55.684 56.329 0.058 0.000 1.992 378 c CB 2.203 44.776 42.510 0.105 0.000 2.358 378 c HN 0.586 8.865 8.230 0.081 0.000 0.518 379 G N -0.875 107.973 108.800 0.080 0.000 2.938 379 G HA2 0.290 nan 3.960 nan 0.000 0.258 379 G HA3 0.290 nan 3.960 nan 0.000 0.258 379 G C -1.908 173.063 174.900 0.120 0.000 1.356 379 G CA -0.839 44.303 45.100 0.070 0.000 1.052 379 G HN 0.734 8.957 8.290 0.063 0.104 0.550 380 N N -1.994 116.734 118.700 0.046 0.000 2.714 380 N HA -0.282 nan 4.740 nan 0.000 0.250 380 N C -1.292 174.083 175.510 -0.225 0.000 1.117 380 N CA 1.051 54.090 53.050 -0.018 0.000 0.719 380 N CB -1.320 37.228 38.487 0.101 0.000 1.081 380 N HN 0.433 8.826 8.380 0.022 0.000 0.557 381 D N -9.538 110.771 120.400 -0.152 0.000 3.077 381 D HA -0.325 nan 4.640 nan 0.000 0.212 381 D C -0.798 175.343 176.300 -0.264 0.000 1.125 381 D CA 1.491 55.364 54.000 -0.212 0.000 0.970 381 D CB -1.026 39.630 40.800 -0.240 0.000 1.110 381 D HN 0.232 8.532 8.370 -0.054 0.038 0.419 382 W N -2.440 118.837 121.300 -0.039 0.000 2.322 382 W HA 0.067 nan 4.660 nan 0.000 0.307 382 W C 1.041 177.542 176.519 -0.030 0.000 1.220 382 W CA -0.385 56.953 57.345 -0.012 0.000 1.210 382 W CB 0.217 29.620 29.460 -0.095 0.000 1.223 382 W HN -0.628 7.533 8.180 0.059 0.054 0.511 383 V N 3.038 123.002 119.914 0.082 0.000 2.591 383 V HA -0.200 nan 4.120 nan 0.000 0.249 383 V C -0.279 175.845 176.094 0.051 0.000 1.053 383 V CA 0.716 62.982 62.300 -0.056 0.000 1.068 383 V CB 0.565 32.090 31.823 -0.498 0.000 0.689 383 V HN 0.511 8.627 8.190 0.063 0.112 0.462 384 c N -0.810 117.859 118.600 0.114 0.000 3.896 384 c HA -0.392 nan 4.570 nan 0.000 0.300 384 c C 1.531 175.452 174.090 -0.282 0.000 1.322 384 c CA 0.517 56.888 56.329 0.070 0.000 2.130 384 c CB -3.217 39.305 42.510 0.020 0.000 1.363 384 c HN -0.251 8.115 8.230 0.227 0.000 0.642 385 E N 1.534 121.453 120.200 -0.469 0.000 2.160 385 E HA -0.382 nan 4.350 nan 0.000 0.195 385 E C 1.491 177.826 176.600 -0.442 0.000 0.991 385 E CA 3.447 59.193 56.400 -1.090 0.000 0.810 385 E CB -0.307 28.948 29.700 -0.741 0.000 0.742 385 E HN 0.633 8.826 8.360 -0.278 0.000 0.466 386 H N -3.156 115.818 119.070 -0.160 0.000 2.543 386 H HA -0.105 nan 4.556 nan 0.000 0.286 386 H C 1.388 176.843 175.328 0.212 0.000 1.037 386 H CA 2.253 58.357 56.048 0.094 0.000 1.250 386 H CB -0.532 29.226 29.762 -0.007 0.000 1.373 386 H HN -0.343 8.035 8.280 0.206 0.025 0.580 387 R N -1.498 118.758 120.500 -0.406 0.000 2.312 387 R HA 0.045 nan 4.340 nan 0.000 0.205 387 R C -0.618 175.817 176.300 0.225 0.000 0.904 387 R CA -0.199 55.772 56.100 -0.214 0.000 1.052 387 R CB 0.498 30.492 30.300 -0.511 0.000 1.014 387 R HN 0.050 7.802 8.270 -0.541 0.192 0.503 388 W N 1.829 123.163 121.300 0.058 0.000 2.264 388 W HA -0.035 nan 4.660 nan 0.000 0.331 388 W C 1.059 177.657 176.519 0.132 0.000 1.364 388 W CA -1.244 56.158 57.345 0.096 0.000 1.253 388 W CB -0.512 29.029 29.460 0.134 0.000 1.215 388 W HN -0.255 7.877 8.180 0.205 0.171 0.561 389 R N 4.942 125.616 120.500 0.290 0.000 2.113 389 R HA -0.590 nan 4.340 nan 0.000 0.244 389 R C 1.353 177.776 176.300 0.204 0.000 1.142 389 R CA 4.320 60.540 56.100 0.201 0.000 0.953 389 R CB -0.427 29.934 30.300 0.101 0.000 0.860 389 R HN 0.361 8.765 8.270 0.222 0.000 0.438 390 E N -2.316 118.010 120.200 0.212 0.000 2.118 390 E HA -0.241 nan 4.350 nan 0.000 0.195 390 E C 2.598 179.358 176.600 0.267 0.000 0.992 390 E CA 3.128 59.648 56.400 0.199 0.000 0.804 390 E CB -0.902 28.933 29.700 0.225 0.000 0.741 390 E HN 0.474 8.963 8.360 0.215 0.000 0.458 391 I N -0.702 120.070 120.570 0.336 0.000 2.494 391 I HA -0.319 nan 4.170 nan 0.000 0.250 391 I C 1.339 177.617 176.117 0.269 0.000 1.112 391 I CA 2.586 64.058 61.300 0.286 0.000 1.438 391 I CB 0.027 38.198 38.000 0.286 0.000 1.111 391 I HN -0.633 7.713 8.210 0.416 0.113 0.431 392 R N 0.504 121.206 120.500 0.337 0.000 2.083 392 R HA -0.458 nan 4.340 nan 0.000 0.237 392 R C 2.368 178.811 176.300 0.238 0.000 1.137 392 R CA 4.068 60.384 56.100 0.361 0.000 0.951 392 R CB -0.215 30.326 30.300 0.402 0.000 0.851 392 R HN 0.495 8.982 8.270 0.363 0.000 0.434 393 N N -0.814 118.018 118.700 0.219 0.000 2.309 393 N HA -0.184 nan 4.740 nan 0.000 0.182 393 N C 2.161 177.835 175.510 0.273 0.000 1.018 393 N CA 2.763 55.954 53.050 0.234 0.000 0.876 393 N CB -0.624 37.971 38.487 0.181 0.000 0.972 393 N HN 0.338 8.740 8.380 0.217 0.108 0.434 394 M N -0.827 118.889 119.600 0.193 0.000 2.349 394 M HA -0.065 nan 4.480 nan 0.000 0.266 394 M C 2.001 178.368 176.300 0.112 0.000 1.076 394 M CA 1.996 57.379 55.300 0.139 0.000 1.126 394 M CB -0.821 31.825 32.600 0.076 0.000 1.392 394 M HN -0.755 7.530 8.290 0.185 0.116 0.440 395 V N -0.114 119.822 119.914 0.036 0.000 2.667 395 V HA -0.311 nan 4.120 nan 0.000 0.252 395 V C 1.413 177.449 176.094 -0.096 0.000 1.065 395 V CA 4.815 67.034 62.300 -0.135 0.000 1.083 395 V CB -0.977 30.562 31.823 -0.473 0.000 0.692 395 V HN -0.167 8.062 8.190 0.066 0.000 0.468 396 W N 0.574 121.792 121.300 -0.137 0.000 2.381 396 W HA -0.364 nan 4.660 nan 0.000 0.301 396 W C 1.153 177.557 176.519 -0.192 0.000 1.205 396 W CA 3.166 60.428 57.345 -0.138 0.000 1.285 396 W CB 0.607 30.034 29.460 -0.056 0.000 1.133 396 W HN -0.596 7.625 8.180 0.239 0.102 0.521 397 F N 0.651 120.509 119.950 -0.154 0.000 2.091 397 F HA -0.577 nan 4.527 nan 0.000 0.299 397 F C 1.347 176.975 175.800 -0.287 0.000 1.103 397 F CA 4.411 62.219 58.000 -0.320 0.000 1.228 397 F CB -0.003 38.969 39.000 -0.047 0.000 0.984 397 F HN -0.072 8.354 8.300 0.330 0.072 0.477 398 R N -1.725 118.842 120.500 0.112 0.000 2.105 398 R HA -0.478 nan 4.340 nan 0.000 0.239 398 R C 2.055 178.225 176.300 -0.217 0.000 1.135 398 R CA 3.518 59.612 56.100 -0.011 0.000 0.967 398 R CB -0.312 29.965 30.300 -0.038 0.000 0.861 398 R HN -0.103 8.266 8.270 0.165 0.000 0.442 399 N N -1.289 117.198 118.700 -0.356 0.000 2.142 399 N HA -0.231 nan 4.740 nan 0.000 0.186 399 N C 2.826 178.063 175.510 -0.454 0.000 1.023 399 N CA 2.678 55.463 53.050 -0.443 0.000 0.852 399 N CB 0.116 38.198 38.487 -0.676 0.000 0.998 399 N HN -0.710 7.348 8.380 -0.367 0.102 0.424 400 V N 0.544 120.113 119.914 -0.574 0.000 2.343 400 V HA -0.253 nan 4.120 nan 0.000 0.247 400 V C 1.531 177.414 176.094 -0.351 0.000 1.051 400 V CA 3.764 65.776 62.300 -0.480 0.000 1.036 400 V CB -0.286 31.184 31.823 -0.588 0.000 0.654 400 V HN -0.140 7.642 8.190 -0.680 0.000 0.451 401 V N -8.507 111.172 119.914 -0.393 0.000 3.649 401 V HA 0.119 nan 4.120 nan 0.000 0.275 401 V C -0.640 175.362 176.094 -0.153 0.000 1.281 401 V CA -1.792 60.343 62.300 -0.275 0.000 1.143 401 V CB -0.941 30.673 31.823 -0.348 0.000 0.892 401 V HN -0.311 7.597 8.190 -0.470 0.000 0.441 402 D N 2.585 122.888 120.400 -0.161 0.000 2.662 402 D HA -0.254 nan 4.640 nan 0.000 0.237 402 D C 0.665 176.922 176.300 -0.071 0.000 1.154 402 D CA 2.384 56.319 54.000 -0.108 0.000 0.861 402 D CB -0.592 40.132 40.800 -0.128 0.000 1.146 402 D HN -0.712 7.344 8.370 -0.218 0.183 0.518 403 G N 4.556 113.333 108.800 -0.040 0.000 2.258 403 G HA2 -0.325 nan 3.960 nan 0.000 0.233 403 G HA3 -0.325 nan 3.960 nan 0.000 0.233 403 G C -0.357 174.540 174.900 -0.005 0.000 1.006 403 G CA -0.300 44.787 45.100 -0.022 0.000 0.620 403 G HN 0.265 8.535 8.290 -0.032 0.000 0.511 404 Q N 2.661 122.457 119.800 -0.007 0.000 2.337 404 Q HA 0.281 nan 4.340 nan 0.000 0.270 404 Q C -1.630 174.403 176.000 0.055 0.000 1.002 404 Q CA -2.100 53.713 55.803 0.017 0.000 0.888 404 Q CB -0.211 28.529 28.738 0.002 0.000 1.222 404 Q HN -0.170 8.003 8.270 -0.028 0.080 0.400 405 P HA 0.060 nan 4.420 nan 0.000 0.274 405 P C -1.367 176.040 177.300 0.177 0.000 1.237 405 P CA -0.740 62.428 63.100 0.113 0.000 0.793 405 P CB 0.684 32.444 31.700 0.100 0.000 0.977 406 F N 0.987 120.956 119.950 0.032 0.000 2.543 406 F HA -0.062 nan 4.527 nan 0.000 0.375 406 F C -1.580 174.301 175.800 0.136 0.000 1.075 406 F CA 0.442 58.476 58.000 0.056 0.000 1.225 406 F CB 0.653 39.602 39.000 -0.085 0.000 1.099 406 F HN -0.019 8.451 8.300 0.284 0.000 0.561 407 A N 6.536 129.231 122.820 -0.208 0.000 2.588 407 A HA 0.232 nan 4.320 nan 0.000 0.290 407 A C -2.411 175.150 177.584 -0.037 0.000 1.136 407 A CA -0.585 51.409 52.037 -0.072 0.000 0.681 407 A CB 2.597 21.634 19.000 0.061 0.000 1.282 407 A HN 0.544 8.545 8.150 -0.249 0.000 0.421 408 N N -2.546 116.214 118.700 0.100 0.000 2.714 408 N HA -0.309 nan 4.740 nan 0.000 0.252 408 N C -1.806 173.884 175.510 0.300 0.000 1.014 408 N CA 0.803 53.979 53.050 0.209 0.000 0.735 408 N CB -0.797 37.829 38.487 0.231 0.000 0.924 408 N HN 0.348 8.789 8.380 0.101 0.000 0.540 409 W N -1.646 119.696 121.300 0.070 0.000 2.181 409 W HA -0.180 nan 4.660 nan 0.000 0.335 409 W C -1.482 175.232 176.519 0.325 0.000 1.310 409 W CA -0.270 57.175 57.345 0.168 0.000 1.226 409 W CB 0.884 30.441 29.460 0.162 0.000 1.155 409 W HN -0.715 7.652 8.180 0.310 0.000 0.565 410 W N 8.355 129.276 121.300 -0.633 0.000 3.217 410 W HA 0.106 nan 4.660 nan 0.000 0.323 410 W C -2.917 173.201 176.519 -0.669 0.000 1.216 410 W CA -0.352 56.761 57.345 -0.388 0.000 1.194 410 W CB 3.376 32.761 29.460 -0.126 0.000 1.397 410 W HN 0.408 8.097 8.180 -0.819 0.000 0.537 411 D N 2.535 122.043 120.400 -1.486 0.000 2.654 411 D HA 0.256 nan 4.640 nan 0.000 0.231 411 D C -1.322 174.148 176.300 -1.384 0.000 1.239 411 D CA -0.963 52.226 54.000 -1.352 0.000 0.790 411 D CB 2.442 43.003 40.800 -0.399 0.000 1.480 411 D HN -0.311 7.238 8.370 -1.368 0.000 0.442 412 N N 0.355 118.468 118.700 -0.979 0.000 2.276 412 N HA 0.010 nan 4.740 nan 0.000 0.212 412 N C 1.089 176.519 175.510 -0.132 0.000 1.127 412 N CA -1.292 51.521 53.050 -0.396 0.000 0.834 412 N CB -0.420 38.023 38.487 -0.073 0.000 1.014 412 N HN 0.049 7.914 8.380 -0.858 0.000 0.491 413 G N -0.142 108.567 108.800 -0.153 0.000 2.184 413 G HA2 -0.378 nan 3.960 nan 0.000 0.264 413 G HA3 -0.378 nan 3.960 nan 0.000 0.264 413 G C -0.981 173.900 174.900 -0.032 0.000 0.975 413 G CA 1.390 46.467 45.100 -0.039 0.000 0.642 413 G HN 0.315 8.623 8.290 -0.251 -0.169 0.536 414 S N -0.530 115.134 115.700 -0.060 0.000 3.894 414 S HA 0.364 nan 4.470 nan 0.000 0.189 414 S C -1.414 173.075 174.600 -0.184 0.000 1.096 414 S CA 0.101 58.261 58.200 -0.068 0.000 1.481 414 S CB 1.203 64.465 63.200 0.103 0.000 1.321 414 S HN -0.070 8.396 8.310 -0.101 -0.217 0.828 415 N N 0.787 119.352 118.700 -0.226 0.000 2.338 415 N HA 0.294 nan 4.740 nan 0.000 0.251 415 N C -1.661 173.716 175.510 -0.221 0.000 1.199 415 N CA -0.547 52.349 53.050 -0.258 0.000 0.879 415 N CB 1.599 39.910 38.487 -0.294 0.000 1.159 415 N HN -0.109 8.573 8.380 -0.243 -0.448 0.514 416 Q N -0.610 119.075 119.800 -0.192 0.000 2.333 416 Q HA 0.580 nan 4.340 nan 0.000 0.265 416 Q C -2.193 173.685 176.000 -0.203 0.000 0.989 416 Q CA -0.529 55.225 55.803 -0.080 0.000 0.842 416 Q CB 2.492 31.274 28.738 0.075 0.000 1.262 416 Q HN -0.369 8.034 8.270 -0.212 -0.261 0.451 417 V N 3.695 123.582 119.914 -0.045 0.000 3.078 417 V HA 0.870 nan 4.120 nan 0.000 0.311 417 V C -2.556 173.538 176.094 -0.000 0.000 1.138 417 V CA -1.510 60.658 62.300 -0.220 0.000 1.007 417 V CB 4.737 36.437 31.823 -0.207 0.000 1.045 417 V HN 0.397 8.646 8.190 0.097 0.000 0.432 418 A N 1.752 124.444 122.820 -0.213 0.000 2.589 418 A HA 1.091 nan 4.320 nan 0.000 0.296 418 A C -3.036 174.407 177.584 -0.235 0.000 1.062 418 A CA -0.635 51.251 52.037 -0.251 0.000 0.686 418 A CB 3.330 22.258 19.000 -0.120 0.000 1.282 418 A HN 0.489 8.231 8.150 -0.680 0.000 0.404 419 F N -2.887 116.725 119.950 -0.563 0.000 2.719 419 F HA 0.832 nan 4.527 nan 0.000 0.309 419 F C -2.535 173.020 175.800 -0.409 0.000 1.138 419 F CA -1.170 56.641 58.000 -0.315 0.000 0.943 419 F CB 2.413 41.374 39.000 -0.065 0.000 1.304 419 F HN 0.634 8.240 8.300 -1.157 0.000 0.445 420 G N -2.467 106.418 108.800 0.142 0.000 2.816 420 G HA2 0.736 nan 3.960 nan 0.000 0.288 420 G HA3 0.736 nan 3.960 nan 0.000 0.288 420 G C -2.155 172.893 174.900 0.246 0.000 1.334 420 G CA -1.469 43.776 45.100 0.241 0.000 0.978 420 G HN 0.804 9.107 8.290 0.190 0.102 0.493 421 R N -0.210 120.409 120.500 0.199 0.000 2.407 421 R HA 0.568 nan 4.340 nan 0.000 0.298 421 R C 0.387 176.735 176.300 0.080 0.000 1.166 421 R CA -3.065 53.126 56.100 0.151 0.000 1.006 421 R CB 0.289 30.664 30.300 0.126 0.000 1.145 421 R HN 0.673 8.949 8.270 0.181 0.102 0.538 422 G N 9.249 118.099 108.800 0.084 0.000 2.611 422 G HA2 -0.513 nan 3.960 nan 0.000 0.301 422 G HA3 -0.513 nan 3.960 nan 0.000 0.301 422 G C -0.780 174.149 174.900 0.049 0.000 1.233 422 G CA 1.646 46.780 45.100 0.056 0.000 0.993 422 G HN 0.623 8.973 8.290 0.101 0.000 0.553 423 N N 1.976 120.693 118.700 0.029 0.000 2.282 423 N HA 0.106 nan 4.740 nan 0.000 0.240 423 N C 0.223 175.744 175.510 0.019 0.000 1.182 423 N CA -0.467 52.598 53.050 0.024 0.000 0.874 423 N CB 1.100 39.601 38.487 0.023 0.000 1.126 423 N HN -0.405 8.220 8.380 0.021 -0.233 0.516 424 R N -1.984 118.514 120.500 -0.003 0.000 2.307 424 R HA 0.268 nan 4.340 nan 0.000 0.200 424 R C -0.931 175.325 176.300 -0.074 0.000 0.893 424 R CA 1.179 57.261 56.100 -0.030 0.000 1.042 424 R CB 1.869 32.122 30.300 -0.078 0.000 1.059 424 R HN 0.136 8.336 8.270 -0.002 0.069 0.530 425 G N -3.818 104.939 108.800 -0.070 0.000 2.720 425 G HA2 0.567 nan 3.960 nan 0.000 0.295 425 G HA3 0.567 nan 3.960 nan 0.000 0.295 425 G C -3.401 171.624 174.900 0.210 0.000 1.437 425 G CA 0.184 45.241 45.100 -0.071 0.000 0.886 425 G HN -0.747 7.536 8.290 -0.012 0.000 0.509 426 F N 1.723 121.747 119.950 0.123 0.000 2.608 426 F HA 0.983 nan 4.527 nan 0.000 0.309 426 F C -2.846 172.909 175.800 -0.075 0.000 1.103 426 F CA -1.113 56.882 58.000 -0.009 0.000 0.954 426 F CB 4.519 43.466 39.000 -0.088 0.000 1.267 426 F HN 0.721 9.268 8.300 0.411 0.000 0.444 427 I N 4.900 124.885 120.570 -0.975 0.000 2.686 427 I HA 0.877 nan 4.170 nan 0.000 0.295 427 I C -3.413 172.042 176.117 -1.103 0.000 1.114 427 I CA -1.922 58.838 61.300 -0.899 0.000 1.038 427 I CB 4.539 41.993 38.000 -0.909 0.000 1.238 427 I HN 0.659 7.947 8.210 -1.537 0.000 0.420 428 V N 6.147 125.546 119.914 -0.859 0.000 2.686 428 V HA 0.853 nan 4.120 nan 0.000 0.306 428 V C -2.556 173.234 176.094 -0.506 0.000 1.065 428 V CA -2.197 59.725 62.300 -0.630 0.000 0.894 428 V CB 3.873 35.276 31.823 -0.700 0.000 1.004 428 V HN 0.745 8.487 8.190 -0.746 0.000 0.424 429 F N 7.208 127.092 119.950 -0.110 0.000 2.508 429 F HA 0.739 nan 4.527 nan 0.000 0.325 429 F C -1.851 173.927 175.800 -0.037 0.000 1.090 429 F CA -2.277 55.701 58.000 -0.037 0.000 0.945 429 F CB 3.782 42.725 39.000 -0.094 0.000 1.156 429 F HN 1.144 9.430 8.300 0.156 0.108 0.463 430 N N 2.636 121.430 118.700 0.157 0.000 2.696 430 N HA 0.186 nan 4.740 nan 0.000 0.246 430 N C -1.357 174.134 175.510 -0.032 0.000 1.057 430 N CA -0.962 52.108 53.050 0.034 0.000 0.867 430 N CB 0.576 39.077 38.487 0.022 0.000 1.141 430 N HN 0.403 8.900 8.380 0.195 0.000 0.517 431 N N 3.476 122.108 118.700 -0.113 0.000 2.273 431 N HA 0.116 nan 4.740 nan 0.000 0.231 431 N C -1.327 174.017 175.510 -0.275 0.000 1.134 431 N CA -0.932 52.019 53.050 -0.165 0.000 0.856 431 N CB 1.723 40.095 38.487 -0.191 0.000 1.068 431 N HN 0.576 8.883 8.380 -0.122 0.000 0.510 432 D N 0.047 120.195 120.400 -0.419 0.000 2.332 432 D HA 0.115 nan 4.640 nan 0.000 0.252 432 D C -0.492 175.463 176.300 -0.574 0.000 1.050 432 D CA -0.222 53.321 54.000 -0.761 0.000 0.970 432 D CB 2.015 41.886 40.800 -1.549 0.000 1.141 432 D HN -0.564 7.778 8.370 -0.364 -0.191 0.485 433 D N 0.803 120.911 120.400 -0.486 0.000 2.504 433 D HA 0.119 nan 4.640 nan 0.000 0.243 433 D C -1.151 175.254 176.300 0.175 0.000 1.203 433 D CA 0.957 54.915 54.000 -0.069 0.000 0.847 433 D CB -0.894 39.954 40.800 0.080 0.000 0.973 433 D HN 0.382 8.367 8.370 -0.642 0.000 0.490 434 W N -4.836 116.485 121.300 0.036 0.000 3.025 434 W HA 0.217 nan 4.660 nan 0.000 0.343 434 W C -2.439 174.111 176.519 0.052 0.000 1.246 434 W CA -2.174 55.195 57.345 0.041 0.000 1.178 434 W CB 0.901 30.385 29.460 0.039 0.000 1.463 434 W HN -1.018 6.787 8.180 -0.422 0.122 0.578 435 Q N -1.283 118.724 119.800 0.345 0.000 2.432 435 Q HA 0.040 nan 4.340 nan 0.000 0.264 435 Q C -0.691 175.474 176.000 0.276 0.000 1.035 435 Q CA 0.557 56.497 55.803 0.228 0.000 0.908 435 Q CB 0.925 29.772 28.738 0.181 0.000 1.280 435 Q HN -0.069 8.422 8.270 0.369 0.000 0.455 436 L N 3.511 124.844 121.223 0.182 0.000 2.298 436 L HA 0.357 nan 4.340 nan 0.000 0.284 436 L C -2.152 174.815 176.870 0.162 0.000 1.013 436 L CA -0.855 54.104 54.840 0.198 0.000 0.824 436 L CB 1.722 43.871 42.059 0.151 0.000 1.221 436 L HN 0.504 8.710 8.230 0.136 0.106 0.418 437 S N 6.358 122.156 115.700 0.163 0.000 2.721 437 S HA 0.315 nan 4.470 nan 0.000 0.264 437 S C -1.274 173.376 174.600 0.083 0.000 1.161 437 S CA -0.524 57.742 58.200 0.110 0.000 1.113 437 S CB 0.402 63.660 63.200 0.098 0.000 1.079 437 S HN 0.425 8.859 8.310 0.207 0.000 0.479 438 S N 5.056 120.776 115.700 0.034 0.000 2.565 438 S HA 0.250 nan 4.470 nan 0.000 0.269 438 S C -2.229 172.337 174.600 -0.057 0.000 1.153 438 S CA -0.334 57.837 58.200 -0.047 0.000 0.835 438 S CB 3.685 66.763 63.200 -0.204 0.000 1.122 438 S HN -0.058 8.288 8.310 0.060 0.000 0.462 439 T N 3.847 118.348 114.554 -0.088 0.000 2.749 439 T HA 0.600 nan 4.350 nan 0.000 0.287 439 T C -1.070 173.546 174.700 -0.140 0.000 0.970 439 T CA -0.296 61.759 62.100 -0.076 0.000 0.980 439 T CB 0.513 69.341 68.868 -0.067 0.000 0.924 439 T HN 0.091 8.279 8.240 -0.086 0.000 0.456 440 L N 6.105 127.274 121.223 -0.090 0.000 2.323 440 L HA 0.434 nan 4.340 nan 0.000 0.265 440 L C -1.142 175.622 176.870 -0.177 0.000 1.012 440 L CA -2.521 52.205 54.840 -0.191 0.000 0.820 440 L CB 3.125 45.028 42.059 -0.261 0.000 1.334 440 L HN 0.760 9.018 8.230 0.047 0.000 0.427 441 Q N 1.188 120.878 119.800 -0.182 0.000 2.307 441 Q HA 0.018 nan 4.340 nan 0.000 0.259 441 Q C 0.072 175.798 176.000 -0.456 0.000 0.998 441 Q CA 0.228 55.909 55.803 -0.203 0.000 0.923 441 Q CB 0.088 28.779 28.738 -0.077 0.000 1.196 441 Q HN 0.068 8.260 8.270 -0.130 0.000 0.416 442 T N 2.256 116.433 114.554 -0.629 0.000 3.057 442 T HA 0.205 nan 4.350 nan 0.000 0.254 442 T C 0.867 175.300 174.700 -0.446 0.000 1.094 442 T CA -0.671 60.748 62.100 -1.135 0.000 1.088 442 T CB 0.505 68.829 68.868 -0.907 0.000 0.934 442 T HN 0.674 8.558 8.240 -0.417 0.106 0.497 443 G N 2.683 111.347 108.800 -0.225 0.000 2.184 443 G HA2 -0.324 nan 3.960 nan 0.000 0.264 443 G HA3 -0.324 nan 3.960 nan 0.000 0.264 443 G C -0.414 174.449 174.900 -0.063 0.000 0.975 443 G CA 0.486 45.538 45.100 -0.080 0.000 0.642 443 G HN -0.083 8.376 8.290 -0.231 -0.308 0.536 444 L N 0.043 121.195 121.223 -0.117 0.000 2.375 444 L HA 0.338 nan 4.340 nan 0.000 0.268 444 L C -2.040 174.829 176.870 -0.001 0.000 1.058 444 L CA -3.159 51.638 54.840 -0.071 0.000 0.803 444 L CB 0.393 42.323 42.059 -0.215 0.000 1.212 444 L HN -0.630 7.399 8.230 -0.202 0.079 0.451 445 P HA 0.003 nan 4.420 nan 0.000 0.269 445 P C -0.593 176.796 177.300 0.148 0.000 1.209 445 P CA -0.202 62.956 63.100 0.097 0.000 0.776 445 P CB 0.470 32.235 31.700 0.107 0.000 0.876 446 G N 0.353 109.205 108.800 0.086 0.000 2.484 446 G HA2 0.020 nan 3.960 nan 0.000 0.235 446 G HA3 0.020 nan 3.960 nan 0.000 0.235 446 G C -1.296 173.666 174.900 0.103 0.000 1.282 446 G CA -0.028 45.126 45.100 0.089 0.000 0.857 446 G HN 0.286 8.607 8.290 0.052 0.000 0.571 447 G N 1.540 110.410 108.800 0.116 0.000 2.359 447 G HA2 -0.104 nan 3.960 nan 0.000 0.293 447 G HA3 -0.104 nan 3.960 nan 0.000 0.293 447 G C -2.772 172.153 174.900 0.042 0.000 1.300 447 G CA 0.014 45.119 45.100 0.008 0.000 0.888 447 G HN 0.013 8.384 8.290 0.135 0.000 0.541 448 T N 2.870 117.358 114.554 -0.110 0.000 2.771 448 T HA 0.874 nan 4.350 nan 0.000 0.281 448 T C -1.140 173.409 174.700 -0.252 0.000 0.982 448 T CA 0.142 62.172 62.100 -0.117 0.000 0.978 448 T CB 1.032 69.847 68.868 -0.088 0.000 0.930 448 T HN 0.250 8.379 8.240 -0.184 0.000 0.447 449 Y N 3.566 123.732 120.300 -0.224 0.000 2.485 449 Y HA 0.592 nan 4.550 nan 0.000 0.345 449 Y C -0.821 174.958 175.900 -0.202 0.000 0.998 449 Y CA -2.276 55.718 58.100 -0.177 0.000 1.059 449 Y CB 3.727 42.111 38.460 -0.127 0.000 1.234 449 Y HN 0.990 9.180 8.280 0.030 0.108 0.461 450 c N 3.192 121.779 118.600 -0.022 0.000 2.435 450 c HA 0.166 nan 4.570 nan 0.000 0.375 450 c C -0.767 173.298 174.090 -0.042 0.000 1.281 450 c CA 0.037 56.326 56.329 -0.066 0.000 1.963 450 c CB -0.330 42.133 42.510 -0.079 0.000 2.490 450 c HN 0.522 8.621 8.230 -0.032 0.112 0.557 451 D N 3.482 123.848 120.400 -0.056 0.000 2.371 451 D HA -0.088 nan 4.640 nan 0.000 0.256 451 D C 0.970 177.235 176.300 -0.058 0.000 1.193 451 D CA 0.419 54.388 54.000 -0.051 0.000 0.881 451 D CB 0.938 41.695 40.800 -0.072 0.000 1.143 451 D HN 0.188 8.513 8.370 -0.076 0.000 0.473 452 V N 0.238 120.135 119.914 -0.028 0.000 3.573 452 V HA 0.145 nan 4.120 nan 0.000 0.270 452 V C -0.079 175.991 176.094 -0.040 0.000 1.221 452 V CA 0.659 62.962 62.300 0.006 0.000 1.163 452 V CB -0.819 31.087 31.823 0.139 0.000 0.847 452 V HN 0.348 8.536 8.190 -0.003 0.000 0.468 453 I N -1.853 118.629 120.570 -0.147 0.000 2.494 453 I HA 0.053 nan 4.170 nan 0.000 0.250 453 I C 1.331 177.329 176.117 -0.198 0.000 1.112 453 I CA 0.269 61.408 61.300 -0.268 0.000 1.438 453 I CB 0.296 37.914 38.000 -0.636 0.000 1.111 453 I HN -0.498 7.818 8.210 -0.158 -0.200 0.431 454 S N -2.521 113.080 115.700 -0.166 0.000 2.524 454 S HA 0.016 nan 4.470 nan 0.000 0.216 454 S C 0.529 175.084 174.600 -0.074 0.000 0.987 454 S CA 0.909 59.039 58.200 -0.116 0.000 0.909 454 S CB 0.987 64.123 63.200 -0.107 0.000 0.781 454 S HN -0.445 7.975 8.310 -0.168 -0.212 0.521 455 G N 0.908 109.670 108.800 -0.065 0.000 2.588 455 G HA2 0.240 nan 3.960 nan 0.000 0.281 455 G HA3 0.240 nan 3.960 nan 0.000 0.281 455 G C -2.618 172.260 174.900 -0.037 0.000 1.223 455 G CA 0.181 45.254 45.100 -0.045 0.000 0.871 455 G HN -0.832 7.372 8.290 -0.074 0.042 0.492 456 D N -1.915 118.461 120.400 -0.040 0.000 2.579 456 D HA 0.310 nan 4.640 nan 0.000 0.257 456 D C -1.999 174.267 176.300 -0.057 0.000 1.176 456 D CA -0.713 53.259 54.000 -0.046 0.000 0.914 456 D CB 4.420 45.191 40.800 -0.047 0.000 1.431 456 D HN 0.341 8.686 8.370 -0.042 0.000 0.454 457 K N 0.886 121.245 120.400 -0.069 0.000 2.267 457 K HA 0.363 nan 4.320 nan 0.000 0.282 457 K C -0.778 175.782 176.600 -0.067 0.000 1.078 457 K CA -0.430 55.814 56.287 -0.071 0.000 0.903 457 K CB 0.597 33.049 32.500 -0.079 0.000 1.111 457 K HN 0.211 8.416 8.250 -0.075 0.000 0.475 458 V N 8.580 128.460 119.914 -0.056 0.000 2.350 458 V HA 0.263 nan 4.120 nan 0.000 0.285 458 V C 0.029 176.097 176.094 -0.043 0.000 1.014 458 V CA -1.072 61.199 62.300 -0.049 0.000 0.831 458 V CB 0.505 32.304 31.823 -0.040 0.000 1.000 458 V HN 0.479 8.637 8.190 -0.053 0.000 0.433 459 G N 8.738 117.513 108.800 -0.042 0.000 2.602 459 G HA2 -0.465 nan 3.960 nan 0.000 0.310 459 G HA3 -0.465 nan 3.960 nan 0.000 0.310 459 G C -0.564 174.313 174.900 -0.039 0.000 1.183 459 G CA 1.657 46.735 45.100 -0.036 0.000 0.979 459 G HN 0.421 8.684 8.290 -0.045 0.000 0.545 460 N N 3.351 122.029 118.700 -0.035 0.000 2.268 460 N HA 0.067 nan 4.740 nan 0.000 0.204 460 N C -1.156 174.329 175.510 -0.041 0.000 1.124 460 N CA -0.178 52.849 53.050 -0.038 0.000 0.838 460 N CB 0.778 39.247 38.487 -0.030 0.000 0.994 460 N HN 0.407 8.768 8.380 -0.031 0.000 0.489 461 S N -1.099 114.575 115.700 -0.043 0.000 2.671 461 S HA 0.247 nan 4.470 nan 0.000 0.277 461 S C -1.913 172.656 174.600 -0.051 0.000 1.165 461 S CA -0.852 57.322 58.200 -0.043 0.000 0.822 461 S CB 2.871 66.053 63.200 -0.031 0.000 1.150 461 S HN -0.340 7.872 8.310 -0.042 0.072 0.479 462 c N 0.968 119.536 118.600 -0.053 0.000 2.391 462 c HA 0.717 nan 4.570 nan 0.000 0.339 462 c C 1.104 175.166 174.090 -0.046 0.000 1.205 462 c CA -0.884 55.409 56.329 -0.059 0.000 1.937 462 c CB 2.332 44.797 42.510 -0.075 0.000 2.341 462 c HN 0.423 8.624 8.230 -0.049 0.000 0.516 463 T N -0.567 113.961 114.554 -0.045 0.000 3.065 463 T HA 0.143 nan 4.350 nan 0.000 0.252 463 T C 0.039 174.716 174.700 -0.038 0.000 1.099 463 T CA 0.830 62.908 62.100 -0.036 0.000 1.063 463 T CB 0.617 69.466 68.868 -0.032 0.000 0.948 463 T HN 0.613 8.824 8.240 -0.048 0.000 0.506 464 G N 1.827 110.598 108.800 -0.047 0.000 3.264 464 G HA2 0.445 nan 3.960 nan 0.000 0.168 464 G HA3 0.445 nan 3.960 nan 0.000 0.168 464 G C -1.602 173.265 174.900 -0.055 0.000 1.145 464 G CA -0.961 44.109 45.100 -0.050 0.000 0.855 464 G HN -0.696 7.522 8.290 -0.052 0.040 0.629 465 I N 0.859 121.392 120.570 -0.062 0.000 2.813 465 I HA -0.146 nan 4.170 nan 0.000 0.287 465 I C -0.455 175.598 176.117 -0.106 0.000 1.196 465 I CA 1.294 62.553 61.300 -0.067 0.000 1.421 465 I CB 0.861 38.825 38.000 -0.059 0.000 1.365 465 I HN -0.055 8.115 8.210 -0.066 0.000 0.591 466 K N 4.498 124.803 120.400 -0.157 0.000 2.270 466 K HA 0.662 nan 4.320 nan 0.000 0.255 466 K C -1.310 174.997 176.600 -0.488 0.000 0.936 466 K CA -1.005 55.088 56.287 -0.323 0.000 0.809 466 K CB 2.047 34.312 32.500 -0.392 0.000 1.131 466 K HN -0.129 8.051 8.250 -0.116 0.000 0.427 467 V N 4.316 123.940 119.914 -0.483 0.000 2.448 467 V HA 0.351 nan 4.120 nan 0.000 0.295 467 V C -1.388 174.403 176.094 -0.504 0.000 1.025 467 V CA -1.008 61.024 62.300 -0.447 0.000 0.859 467 V CB 2.730 34.406 31.823 -0.245 0.000 0.988 467 V HN 0.979 8.851 8.190 -0.351 0.108 0.431 468 Y N 5.309 125.526 120.300 -0.139 0.000 2.417 468 Y HA 0.397 nan 4.550 nan 0.000 0.336 468 Y C -0.878 174.954 175.900 -0.113 0.000 0.961 468 Y CA -1.637 56.413 58.100 -0.083 0.000 1.215 468 Y CB -0.060 38.344 38.460 -0.093 0.000 1.120 468 Y HN 0.190 8.381 8.280 -0.148 0.000 0.499 469 V N 5.096 125.053 119.914 0.071 0.000 2.364 469 V HA 0.252 nan 4.120 nan 0.000 0.272 469 V C 0.082 176.194 176.094 0.030 0.000 1.036 469 V CA -1.492 60.809 62.300 0.000 0.000 0.880 469 V CB -0.588 31.220 31.823 -0.025 0.000 0.991 469 V HN 0.720 8.998 8.190 0.147 0.000 0.460 470 S N 7.499 123.192 115.700 -0.012 0.000 2.596 470 S HA 0.094 nan 4.470 nan 0.000 0.260 470 S C 1.276 175.873 174.600 -0.006 0.000 1.336 470 S CA 0.208 58.403 58.200 -0.009 0.000 0.993 470 S CB 0.507 63.689 63.200 -0.030 0.000 0.923 470 S HN 0.428 8.711 8.310 -0.044 0.000 0.567 471 S N 0.912 116.609 115.700 -0.005 0.000 2.402 471 S HA -0.304 nan 4.470 nan 0.000 0.233 471 S C 0.156 174.750 174.600 -0.009 0.000 1.030 471 S CA 2.904 61.102 58.200 -0.003 0.000 1.003 471 S CB -0.183 63.014 63.200 -0.004 0.000 0.813 471 S HN 0.520 8.826 8.310 -0.008 0.000 0.477 472 D N -2.213 118.177 120.400 -0.018 0.000 2.328 472 D HA 0.003 nan 4.640 nan 0.000 0.226 472 D C 1.030 177.307 176.300 -0.038 0.000 1.066 472 D CA -0.806 53.181 54.000 -0.022 0.000 0.861 472 D CB -1.022 39.765 40.800 -0.022 0.000 0.912 472 D HN -0.221 8.107 8.370 -0.021 0.030 0.521 473 G N -1.003 107.769 108.800 -0.046 0.000 2.179 473 G HA2 -0.375 nan 3.960 nan 0.000 0.260 473 G HA3 -0.375 nan 3.960 nan 0.000 0.260 473 G C -0.607 174.214 174.900 -0.131 0.000 0.977 473 G CA 0.409 45.459 45.100 -0.083 0.000 0.641 473 G HN 0.341 8.414 8.290 -0.032 0.198 0.533 474 T N -1.605 112.886 114.554 -0.104 0.000 2.913 474 T HA 0.687 nan 4.350 nan 0.000 0.287 474 T C -2.023 172.595 174.700 -0.137 0.000 1.008 474 T CA -1.727 60.300 62.100 -0.122 0.000 1.067 474 T CB 1.326 70.142 68.868 -0.086 0.000 0.996 474 T HN -0.502 7.895 8.240 -0.075 -0.202 0.513 475 A N 1.705 124.424 122.820 -0.170 0.000 2.549 475 A HA 0.614 nan 4.320 nan 0.000 0.297 475 A C -2.360 175.000 177.584 -0.374 0.000 1.061 475 A CA -0.731 51.129 52.037 -0.296 0.000 0.690 475 A CB 3.313 22.039 19.000 -0.457 0.000 1.287 475 A HN 0.561 8.632 8.150 -0.132 0.000 0.402 476 Q N 0.825 120.396 119.800 -0.381 0.000 2.286 476 Q HA 0.428 nan 4.340 nan 0.000 0.257 476 Q C -0.697 175.003 176.000 -0.499 0.000 0.941 476 Q CA -0.264 55.370 55.803 -0.282 0.000 0.912 476 Q CB 1.148 29.796 28.738 -0.150 0.000 1.192 476 Q HN 0.548 8.633 8.270 -0.308 0.000 0.410 477 F N 5.381 125.290 119.950 -0.067 0.000 2.540 477 F HA 0.218 nan 4.527 nan 0.000 0.317 477 F C -1.255 174.526 175.800 -0.032 0.000 1.104 477 F CA -0.982 56.986 58.000 -0.054 0.000 0.913 477 F CB 3.393 42.345 39.000 -0.079 0.000 1.170 477 F HN 0.741 9.076 8.300 0.057 0.000 0.450 478 S N 2.497 118.292 115.700 0.157 0.000 2.779 478 S HA 0.414 nan 4.470 nan 0.000 0.293 478 S C -1.320 173.340 174.600 0.100 0.000 1.150 478 S CA -0.839 57.424 58.200 0.106 0.000 1.057 478 S CB 0.909 64.146 63.200 0.062 0.000 1.021 478 S HN 0.300 8.705 8.310 0.158 0.000 0.485 479 I N 7.027 127.657 120.570 0.099 0.000 2.439 479 I HA 0.203 nan 4.170 nan 0.000 0.285 479 I C -1.616 174.542 176.117 0.069 0.000 1.021 479 I CA -0.956 60.388 61.300 0.073 0.000 1.091 479 I CB 3.543 41.581 38.000 0.065 0.000 1.242 479 I HN 0.817 8.982 8.210 0.111 0.112 0.439 480 S N 5.419 121.153 115.700 0.055 0.000 2.565 480 S HA 0.034 nan 4.470 nan 0.000 0.276 480 S C 0.781 175.407 174.600 0.043 0.000 1.326 480 S CA -1.364 56.870 58.200 0.056 0.000 1.045 480 S CB 0.890 64.118 63.200 0.047 0.000 0.918 480 S HN 0.568 8.906 8.310 0.046 0.000 0.505 481 N N 6.559 125.283 118.700 0.041 0.000 2.550 481 N HA -0.112 nan 4.740 nan 0.000 0.186 481 N C 0.865 176.390 175.510 0.025 0.000 1.110 481 N CA 2.214 55.274 53.050 0.016 0.000 0.912 481 N CB -0.747 37.740 38.487 0.001 0.000 0.968 481 N HN 0.568 8.985 8.380 0.061 0.000 0.448 482 S N 0.265 115.986 115.700 0.034 0.000 2.556 482 S HA 0.036 nan 4.470 nan 0.000 0.216 482 S C -0.336 174.280 174.600 0.026 0.000 0.970 482 S CA 0.059 58.277 58.200 0.030 0.000 0.912 482 S CB 0.262 63.481 63.200 0.032 0.000 0.790 482 S HN -0.324 7.931 8.310 0.040 0.079 0.504 483 A N 2.815 125.651 122.820 0.027 0.000 2.445 483 A HA 0.001 nan 4.320 nan 0.000 0.242 483 A C 0.091 177.688 177.584 0.022 0.000 1.075 483 A CA -0.078 51.970 52.037 0.018 0.000 0.777 483 A CB 0.689 19.698 19.000 0.015 0.000 1.013 483 A HN -0.521 7.471 8.150 0.031 0.176 0.493 484 E N 0.222 120.426 120.200 0.007 0.000 2.085 484 E HA -0.307 nan 4.350 nan 0.000 0.194 484 E C -0.191 176.429 176.600 0.034 0.000 0.994 484 E CA 1.920 58.325 56.400 0.008 0.000 0.801 484 E CB -0.021 29.669 29.700 -0.017 0.000 0.743 484 E HN 0.569 8.926 8.360 -0.004 0.000 0.453 485 D N -1.220 119.189 120.400 0.016 0.000 2.446 485 D HA 0.302 nan 4.640 nan 0.000 0.251 485 D C -0.958 175.382 176.300 0.067 0.000 1.137 485 D CA -2.636 51.398 54.000 0.057 0.000 0.890 485 D CB 0.805 41.522 40.800 -0.139 0.000 1.071 485 D HN -0.228 8.129 8.370 -0.020 0.000 0.528 486 P HA 0.149 nan 4.420 nan 0.000 0.261 486 P C -2.220 175.244 177.300 0.274 0.000 1.650 486 P CA 0.105 63.310 63.100 0.175 0.000 0.846 486 P CB -2.018 29.763 31.700 0.135 0.000 1.758 487 F N -4.941 114.950 119.950 -0.099 0.000 2.665 487 F HA 0.674 nan 4.527 nan 0.000 0.308 487 F C -2.420 173.220 175.800 -0.268 0.000 1.112 487 F CA -1.892 55.944 58.000 -0.275 0.000 0.972 487 F CB 2.824 41.527 39.000 -0.495 0.000 1.295 487 F HN -0.423 7.746 8.300 -0.036 0.110 0.440 488 I N 1.037 121.417 120.570 -0.317 0.000 2.545 488 I HA 0.448 nan 4.170 nan 0.000 0.292 488 I C -2.067 173.883 176.117 -0.279 0.000 1.040 488 I CA -1.171 59.964 61.300 -0.275 0.000 1.068 488 I CB 4.421 42.386 38.000 -0.058 0.000 1.251 488 I HN 0.616 8.637 8.210 -0.314 0.000 0.424 489 A N 5.701 128.405 122.820 -0.194 0.000 2.398 489 A HA 1.063 nan 4.320 nan 0.000 0.301 489 A C -2.615 175.025 177.584 0.094 0.000 1.041 489 A CA -1.361 50.614 52.037 -0.104 0.000 0.711 489 A CB 2.870 21.732 19.000 -0.232 0.000 1.240 489 A HN 0.750 9.102 8.150 -0.185 -0.314 0.420 490 I N -2.866 117.832 120.570 0.214 0.000 2.828 490 I HA 1.036 nan 4.170 nan 0.000 0.302 490 I C -2.529 173.725 176.117 0.229 0.000 1.101 490 I CA -2.138 59.245 61.300 0.138 0.000 1.031 490 I CB 2.966 40.955 38.000 -0.018 0.000 1.231 490 I HN 0.763 9.126 8.210 0.255 0.000 0.427 491 H N -0.324 118.854 119.070 0.180 0.000 2.990 491 H HA 0.538 nan 4.556 nan 0.000 0.336 491 H C -0.253 175.203 175.328 0.213 0.000 1.306 491 H CA -1.104 54.979 56.048 0.059 0.000 1.118 491 H CB 1.762 31.430 29.762 -0.156 0.000 1.856 491 H HN 0.297 8.477 8.280 -0.166 0.000 0.538 492 A N -0.958 122.047 122.820 0.308 0.000 1.997 492 A HA -0.352 nan 4.320 nan 0.000 0.221 492 A C 2.052 179.771 177.584 0.225 0.000 1.172 492 A CA 3.430 55.627 52.037 0.267 0.000 0.645 492 A CB -0.422 18.667 19.000 0.149 0.000 0.813 492 A HN 0.700 8.885 8.150 0.212 0.092 0.454 493 E N -4.325 116.104 120.200 0.380 0.000 2.479 493 E HA -0.029 nan 4.350 nan 0.000 0.193 493 E C 0.579 177.230 176.600 0.084 0.000 1.049 493 E CA 0.783 57.360 56.400 0.296 0.000 0.870 493 E CB 0.289 30.307 29.700 0.530 0.000 0.944 493 E HN -0.455 8.339 8.360 0.776 0.031 0.492 494 S N -2.739 112.871 115.700 -0.149 0.000 2.554 494 S HA 0.059 nan 4.470 nan 0.000 0.226 494 S C -0.523 173.998 174.600 -0.133 0.000 0.980 494 S CA -0.432 57.657 58.200 -0.184 0.000 0.939 494 S CB 0.962 63.958 63.200 -0.340 0.000 0.832 494 S HN -0.080 7.960 8.310 -0.168 0.170 0.486 495 K N 2.467 122.743 120.400 -0.205 0.000 2.298 495 K HA 0.199 nan 4.320 nan 0.000 0.280 495 K C -1.381 175.025 176.600 -0.323 0.000 1.032 495 K CA 0.222 56.176 56.287 -0.555 0.000 0.958 495 K CB 0.656 32.703 32.500 -0.755 0.000 0.978 495 K HN -1.071 7.041 8.250 -0.108 0.073 0.472 496 L N 0.000 121.031 121.223 -0.320 0.000 2.949 496 L HA 0.000 nan 4.340 nan 0.000 0.249 496 L CA 0.000 54.727 54.840 -0.189 0.000 0.813 496 L CB 0.000 41.968 42.059 -0.151 0.000 0.961 496 L HN 0.000 7.980 8.230 -0.417 0.000 0.502