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 3akz_1_A DATA FIRST_RESID 24 DATA SEQUENCE LVRVRFAPSP TGHLHVGGAR TALFNWMFAR KEGGKFILRI EDTDTERSSR DATA SEQUENCE EYEQQILESL RWCGLDWDEG PDIGGDFGPY RQSERLEIYR EYAEKLVEDK DATA SEQUENCE RAYYVVYDKE DPSKELFTTY EYPHEYKEKG HPVTIKFKVL PGKTSFEDLL DATA SEQUENCE KGYMEFDNST LEDFIIMKSN GFPTYNFAVV VDDHLMRISH VFRGEDHLSN DATA SEQUENCE TPKQLMIYEA FGWEAPVFMH IPLILGSDRT PLSKRHGATS VEHFRREGIL DATA SEQUENCE SRALMNYLAL LGWRVEGDEI FTIEEKLQSF DPKDISNKGV IFDYQKLEWV DATA SEQUENCE NGKHMRRIDL EDLKREFIEW AKYAGKEIPS VDERYFSETL RICREKVNTL DATA SEQUENCE SQLYDIMYPF MNDDYEYEKD YVEKFLKREE AERVLEEAKK AFKDLNSWNM DATA SEQUENCE EEIEKTLRDL SEKGLASKKV VFQLIRGAVT GKLVTPGLFE TIEVLGKERT DATA SEQUENCE LKRLERTLQF LKK 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 24 L HA 0.000 nan 4.340 nan 0.000 0.249 24 L C 0.000 176.943 176.870 0.122 0.000 1.165 24 L CA 0.000 54.869 54.840 0.048 0.000 0.813 24 L CB 0.000 42.061 42.059 0.003 0.000 0.961 25 V N 0.615 120.532 119.914 0.005 0.000 2.495 25 V HA 0.694 4.814 4.120 0.001 0.000 0.298 25 V C -0.553 175.524 176.094 -0.029 0.000 1.031 25 V CA -0.227 62.028 62.300 -0.075 0.000 0.871 25 V CB 1.397 32.913 31.823 -0.512 0.000 0.988 25 V HN 0.651 nan 8.190 nan 0.000 0.432 26 R N 2.901 123.459 120.500 0.097 0.000 2.984 26 R HA 0.397 4.737 4.340 0.001 0.000 0.252 26 R C -0.522 175.857 176.300 0.131 0.000 1.842 26 R CA -0.307 55.835 56.100 0.070 0.000 1.389 26 R CB 1.727 32.044 30.300 0.029 0.000 1.454 26 R HN 0.688 nan 8.270 nan 0.000 0.578 27 V N -0.573 119.429 119.914 0.146 0.000 3.596 27 V HA 0.673 4.793 4.120 0.001 0.000 0.288 27 V C 0.269 176.498 176.094 0.224 0.000 1.021 27 V CA -0.503 61.937 62.300 0.233 0.000 1.020 27 V CB 1.154 33.125 31.823 0.246 0.000 1.243 27 V HN 0.727 nan 8.190 nan 0.000 0.433 28 R N -0.197 120.469 120.500 0.277 0.000 2.780 28 R HA 0.427 4.768 4.340 0.001 0.000 0.280 28 R C -2.288 174.186 176.300 0.291 0.000 1.016 28 R CA -0.635 55.554 56.100 0.148 0.000 0.854 28 R CB 0.829 31.172 30.300 0.072 0.000 1.293 28 R HN 0.878 nan 8.270 nan 0.000 0.483 29 F N 0.918 120.836 119.950 -0.054 0.000 2.577 29 F HA 0.720 5.247 4.527 0.000 0.000 0.344 29 F C -1.066 174.748 175.800 0.024 0.000 1.145 29 F CA -0.554 57.486 58.000 0.066 0.000 0.996 29 F CB 1.879 40.943 39.000 0.107 0.000 1.248 29 F HN 0.815 nan 8.300 nan 0.000 0.447 30 A N 8.416 131.045 122.820 -0.319 0.000 2.838 30 A HA 0.550 4.870 4.320 0.001 0.000 0.337 30 A C -2.779 174.534 177.584 -0.451 0.000 1.383 30 A CA -1.375 50.486 52.037 -0.293 0.000 0.985 30 A CB -0.676 18.273 19.000 -0.084 0.000 1.157 30 A HN 0.420 nan 8.150 nan 0.000 0.497 31 P HA 0.261 nan 4.420 nan 0.000 0.288 31 P C -0.259 176.927 177.300 -0.189 0.000 1.267 31 P CA -0.167 62.654 63.100 -0.466 0.000 0.815 31 P CB 1.644 33.054 31.700 -0.483 0.000 0.989 32 S N 2.016 117.647 115.700 -0.115 0.000 2.410 32 S HA 0.357 4.827 4.470 0.001 0.000 0.304 32 S C -2.359 172.209 174.600 -0.053 0.000 1.095 32 S CA -1.716 56.444 58.200 -0.067 0.000 1.089 32 S CB 0.042 63.209 63.200 -0.056 0.000 0.968 32 S HN 0.219 nan 8.310 nan 0.000 0.480 33 P HA 0.058 nan 4.420 nan 0.000 0.232 33 P C 0.760 178.052 177.300 -0.013 0.000 1.606 33 P CA 0.315 63.426 63.100 0.017 0.000 1.105 33 P CB -0.607 31.122 31.700 0.048 0.000 1.919 34 T N -2.393 112.077 114.554 -0.139 0.000 3.003 34 T HA 0.482 4.832 4.350 0.001 0.000 0.261 34 T C 0.748 175.065 174.700 -0.639 0.000 1.003 34 T CA 0.096 62.030 62.100 -0.276 0.000 0.917 34 T CB 0.508 69.273 68.868 -0.171 0.000 1.084 34 T HN 0.263 nan 8.240 nan 0.000 0.522 35 G N -0.029 108.412 108.800 -0.599 0.000 2.489 35 G HA2 0.501 4.461 3.960 0.001 0.000 0.305 35 G HA3 0.501 4.461 3.960 0.001 0.000 0.305 35 G C -1.867 172.955 174.900 -0.130 0.000 1.311 35 G CA -0.981 43.766 45.100 -0.588 0.000 0.813 35 G HN 0.308 nan 8.290 nan 0.000 0.480 36 H N -0.841 118.219 119.070 -0.017 0.000 2.679 36 H HA 0.371 4.928 4.556 0.001 0.000 0.369 36 H C 0.585 175.987 175.328 0.124 0.000 1.178 36 H CA -0.280 55.834 56.048 0.111 0.000 1.419 36 H CB 1.022 30.847 29.762 0.105 0.000 1.458 36 H HN 0.384 nan 8.280 nan 0.000 0.605 37 L N 3.465 124.849 121.223 0.268 0.000 2.704 37 L HA 0.022 4.363 4.340 0.001 0.000 0.279 37 L C -0.128 176.902 176.870 0.267 0.000 1.147 37 L CA 0.101 55.100 54.840 0.264 0.000 0.994 37 L CB -1.280 40.927 42.059 0.247 0.000 1.332 37 L HN 0.594 nan 8.230 nan 0.000 0.471 38 H N 2.713 121.881 119.070 0.162 0.000 2.972 38 H HA 0.021 4.578 4.556 0.000 0.000 0.343 38 H C 1.292 176.692 175.328 0.120 0.000 1.054 38 H CA 0.651 56.767 56.048 0.114 0.000 1.412 38 H CB 1.040 30.859 29.762 0.095 0.000 1.385 38 H HN 0.532 nan 8.280 nan 0.000 0.600 39 V N 2.476 122.121 119.914 -0.447 0.000 2.688 39 V HA -0.116 4.004 4.120 0.001 0.000 0.256 39 V C 2.038 177.933 176.094 -0.333 0.000 1.084 39 V CA 1.920 64.026 62.300 -0.323 0.000 1.103 39 V CB -1.189 30.386 31.823 -0.414 0.000 0.688 39 V HN 0.804 nan 8.190 nan 0.000 0.480 40 G N 0.777 109.206 108.800 -0.618 0.000 2.394 40 G HA2 0.003 3.963 3.960 0.001 0.000 0.214 40 G HA3 0.003 3.963 3.960 0.001 0.000 0.214 40 G C 1.540 176.508 174.900 0.113 0.000 1.176 40 G CA 0.685 45.728 45.100 -0.094 0.000 0.786 40 G HN 0.705 nan 8.290 nan 0.000 0.533 41 G N 1.187 110.117 108.800 0.218 0.000 2.422 41 G HA2 0.035 3.996 3.960 0.001 0.000 0.218 41 G HA3 0.035 3.996 3.960 0.001 0.000 0.218 41 G C 1.986 176.925 174.900 0.065 0.000 1.146 41 G CA 1.405 46.688 45.100 0.306 0.000 0.769 41 G HN 0.651 nan 8.290 nan 0.000 0.547 42 A N 0.146 122.996 122.820 0.050 0.000 2.186 42 A HA 0.021 4.342 4.320 0.001 0.000 0.219 42 A C 2.230 179.824 177.584 0.016 0.000 1.159 42 A CA 1.790 53.834 52.037 0.011 0.000 0.680 42 A CB -0.293 18.747 19.000 0.068 0.000 0.787 42 A HN 0.441 nan 8.150 nan 0.000 0.467 43 R N -1.934 118.599 120.500 0.055 0.000 2.250 43 R HA 0.034 4.374 4.340 0.001 0.000 0.194 43 R C 1.443 177.837 176.300 0.157 0.000 0.927 43 R CA 1.124 57.284 56.100 0.101 0.000 1.052 43 R CB -0.026 30.326 30.300 0.085 0.000 1.055 43 R HN 0.337 nan 8.270 nan 0.000 0.537 44 T N 0.107 114.760 114.554 0.165 0.000 3.023 44 T HA 0.113 4.463 4.350 0.001 0.000 0.266 44 T C 1.497 176.364 174.700 0.279 0.000 1.093 44 T CA 0.997 63.258 62.100 0.268 0.000 1.129 44 T CB 0.312 69.400 68.868 0.366 0.000 0.899 44 T HN 0.356 nan 8.240 nan 0.000 0.491 45 A N 0.810 123.628 122.820 -0.003 0.000 2.044 45 A HA 0.301 4.621 4.320 0.001 0.000 0.213 45 A C 1.978 179.549 177.584 -0.022 0.000 1.169 45 A CA 0.271 52.235 52.037 -0.122 0.000 0.724 45 A CB -0.371 18.178 19.000 -0.751 0.000 0.840 45 A HN 0.385 nan 8.150 nan 0.000 0.463 46 L N -1.879 119.349 121.223 0.009 0.000 2.376 46 L HA 0.149 4.490 4.340 0.001 0.000 0.219 46 L C 1.761 178.695 176.870 0.107 0.000 1.133 46 L CA 1.360 56.209 54.840 0.014 0.000 0.816 46 L CB -0.617 41.468 42.059 0.044 0.000 0.933 46 L HN 0.371 nan 8.230 nan 0.000 0.449 47 F N -0.290 119.700 119.950 0.066 0.000 2.219 47 F HA -0.039 4.488 4.527 0.001 0.000 0.294 47 F C 2.315 178.199 175.800 0.139 0.000 1.086 47 F CA 1.109 59.209 58.000 0.166 0.000 1.330 47 F CB -0.204 38.982 39.000 0.311 0.000 1.047 47 F HN 0.161 nan 8.300 nan 0.000 0.495 48 N N -0.477 118.381 118.700 0.263 0.000 2.106 48 N HA -0.238 4.502 4.740 0.001 0.000 0.188 48 N C 1.772 177.257 175.510 -0.042 0.000 1.029 48 N CA 1.508 54.667 53.050 0.182 0.000 0.848 48 N CB -0.998 37.797 38.487 0.514 0.000 1.007 48 N HN 0.419 nan 8.380 nan 0.000 0.423 49 W N 2.323 123.267 121.300 -0.593 0.000 2.315 49 W HA -0.104 4.556 4.660 0.000 0.000 0.323 49 W C 2.426 178.642 176.519 -0.506 0.000 1.233 49 W CA 1.646 58.474 57.345 -0.862 0.000 1.267 49 W CB -0.492 28.348 29.460 -1.033 0.000 1.160 49 W HN -0.015 nan 8.180 nan 0.000 0.474 50 M N -1.065 118.273 119.600 -0.436 0.000 2.108 50 M HA -0.223 4.257 4.480 0.001 0.000 0.261 50 M C 2.182 178.147 176.300 -0.558 0.000 1.066 50 M CA 1.939 56.781 55.300 -0.763 0.000 1.107 50 M CB -1.071 30.725 32.600 -1.340 0.000 1.356 50 M HN 0.080 nan 8.290 nan 0.000 0.406 51 F N 1.101 120.779 119.950 -0.455 0.000 2.146 51 F HA -0.052 4.476 4.527 0.001 0.000 0.298 51 F C 2.373 177.972 175.800 -0.334 0.000 1.096 51 F CA 1.273 59.148 58.000 -0.209 0.000 1.275 51 F CB -0.531 38.217 39.000 -0.421 0.000 1.008 51 F HN 0.039 nan 8.300 nan 0.000 0.480 52 A N 0.552 123.110 122.820 -0.437 0.000 1.933 52 A HA -0.140 4.180 4.320 0.001 0.000 0.218 52 A C 2.211 179.494 177.584 -0.503 0.000 1.175 52 A CA 1.359 53.118 52.037 -0.463 0.000 0.628 52 A CB -0.450 18.418 19.000 -0.220 0.000 0.814 52 A HN 0.312 nan 8.150 nan 0.000 0.444 53 R N -0.467 119.676 120.500 -0.595 0.000 2.161 53 R HA 0.065 4.405 4.340 0.001 0.000 0.213 53 R C 1.808 177.857 176.300 -0.418 0.000 1.055 53 R CA 0.837 56.593 56.100 -0.573 0.000 0.996 53 R CB -0.555 29.234 30.300 -0.853 0.000 0.901 53 R HN 0.398 nan 8.270 nan 0.000 0.456 54 K N 1.230 121.408 120.400 -0.371 0.000 2.211 54 K HA -0.099 4.222 4.320 0.001 0.000 0.203 54 K C 1.043 177.475 176.600 -0.280 0.000 1.050 54 K CA 1.236 57.389 56.287 -0.223 0.000 0.945 54 K CB 0.489 32.992 32.500 0.004 0.000 0.732 54 K HN 0.115 nan 8.250 nan 0.000 0.451 55 E N -1.633 118.311 120.200 -0.426 0.000 2.182 55 E HA 0.123 4.473 4.350 0.001 0.000 0.195 55 E C 0.975 177.391 176.600 -0.306 0.000 0.933 55 E CA 1.087 57.246 56.400 -0.401 0.000 0.940 55 E CB 0.340 29.666 29.700 -0.624 0.000 0.945 55 E HN 0.318 nan 8.360 nan 0.000 0.477 56 G N 1.023 109.624 108.800 -0.333 0.000 2.363 56 G HA2 -0.021 3.940 3.960 0.001 0.000 0.213 56 G HA3 -0.021 3.940 3.960 0.001 0.000 0.213 56 G C 0.445 175.225 174.900 -0.200 0.000 1.028 56 G CA -0.075 44.884 45.100 -0.235 0.000 0.822 56 G HN 0.454 nan 8.290 nan 0.000 0.536 57 G N -0.256 108.394 108.800 -0.250 0.000 2.525 57 G HA2 0.567 4.527 3.960 0.001 0.000 0.287 57 G HA3 0.567 4.527 3.960 0.001 0.000 0.287 57 G C -0.409 174.441 174.900 -0.083 0.000 1.350 57 G CA -0.549 44.455 45.100 -0.161 0.000 1.039 57 G HN 0.151 nan 8.290 nan 0.000 0.513 58 K N -0.195 120.205 120.400 -0.001 0.000 2.206 58 K HA 0.255 4.576 4.320 0.001 0.000 0.264 58 K C -1.401 175.301 176.600 0.169 0.000 0.967 58 K CA -0.782 55.553 56.287 0.080 0.000 0.844 58 K CB 1.940 34.499 32.500 0.099 0.000 1.099 58 K HN 0.300 nan 8.250 nan 0.000 0.441 59 F N 5.137 125.127 119.950 0.066 0.000 2.567 59 F HA 0.280 4.808 4.527 0.001 0.000 0.352 59 F C 0.013 175.928 175.800 0.191 0.000 1.229 59 F CA -1.139 56.951 58.000 0.150 0.000 1.228 59 F CB -0.428 38.727 39.000 0.259 0.000 1.568 59 F HN 0.370 nan 8.300 nan 0.000 0.634 60 I N 4.954 125.476 120.570 -0.080 0.000 2.634 60 I HA 0.036 4.206 4.170 0.001 0.000 0.284 60 I C -0.455 175.467 176.117 -0.325 0.000 1.124 60 I CA -0.427 60.782 61.300 -0.153 0.000 1.417 60 I CB 0.894 38.882 38.000 -0.019 0.000 1.396 60 I HN 0.339 nan 8.210 nan 0.000 0.571 61 L N 7.287 128.322 121.223 -0.314 0.000 2.319 61 L HA 0.478 4.819 4.340 0.001 0.000 0.281 61 L C -0.423 176.307 176.870 -0.232 0.000 1.005 61 L CA -0.154 54.519 54.840 -0.278 0.000 0.828 61 L CB 1.046 42.913 42.059 -0.320 0.000 1.227 61 L HN 0.554 nan 8.230 nan 0.000 0.415 62 R N 5.307 125.738 120.500 -0.114 0.000 2.562 62 R HA 0.644 4.984 4.340 0.001 0.000 0.298 62 R C -1.327 174.934 176.300 -0.066 0.000 0.961 62 R CA -0.785 55.298 56.100 -0.027 0.000 0.881 62 R CB 1.240 31.562 30.300 0.036 0.000 1.159 62 R HN 0.560 nan 8.270 nan 0.000 0.450 63 I N 3.535 124.092 120.570 -0.022 0.000 2.359 63 I HA 0.231 4.402 4.170 0.001 0.000 0.294 63 I C -0.255 175.863 176.117 0.001 0.000 0.987 63 I CA -0.375 60.903 61.300 -0.036 0.000 1.225 63 I CB 1.684 39.668 38.000 -0.027 0.000 1.366 63 I HN 0.702 nan 8.210 nan 0.000 0.466 64 E N 4.499 124.689 120.200 -0.016 0.000 2.376 64 E HA 0.181 4.531 4.350 0.001 0.000 0.236 64 E C -0.746 175.852 176.600 -0.004 0.000 0.962 64 E CA -0.287 56.117 56.400 0.008 0.000 0.768 64 E CB 0.495 30.206 29.700 0.019 0.000 1.236 64 E HN 0.485 nan 8.360 nan 0.000 0.431 65 D N 0.323 120.724 120.400 0.002 0.000 2.706 65 D HA -0.070 4.571 4.640 0.001 0.000 0.236 65 D C 1.261 177.505 176.300 -0.093 0.000 1.231 65 D CA -0.257 53.722 54.000 -0.036 0.000 0.828 65 D CB 0.149 40.938 40.800 -0.018 0.000 1.015 65 D HN 0.239 nan 8.370 nan 0.000 0.484 66 T N -3.641 110.877 114.554 -0.060 0.000 3.007 66 T HA -0.187 4.163 4.350 0.001 0.000 0.270 66 T C 0.747 175.309 174.700 -0.229 0.000 1.107 66 T CA 0.436 62.485 62.100 -0.085 0.000 1.118 66 T CB -0.088 68.776 68.868 -0.006 0.000 0.889 66 T HN 0.166 nan 8.240 nan 0.000 0.506 67 D N 2.399 122.687 120.400 -0.186 0.000 2.493 67 D HA 0.128 4.768 4.640 0.001 0.000 0.235 67 D C 1.396 177.563 176.300 -0.222 0.000 1.117 67 D CA 0.052 53.943 54.000 -0.181 0.000 0.930 67 D CB 1.138 41.884 40.800 -0.091 0.000 1.010 67 D HN 0.363 nan 8.370 nan 0.000 0.514 68 T N 0.526 114.859 114.554 -0.370 0.000 2.822 68 T HA -0.210 4.141 4.350 0.001 0.000 0.270 68 T C 1.408 176.030 174.700 -0.131 0.000 1.064 68 T CA 0.855 62.782 62.100 -0.288 0.000 1.131 68 T CB 0.094 68.752 68.868 -0.350 0.000 0.858 68 T HN 0.253 nan 8.240 nan 0.000 0.483 69 E N 1.532 121.669 120.200 -0.105 0.000 2.058 69 E HA -0.094 4.257 4.350 0.001 0.000 0.194 69 E C 2.508 179.089 176.600 -0.033 0.000 0.997 69 E CA 1.276 57.644 56.400 -0.052 0.000 0.801 69 E CB -0.151 29.522 29.700 -0.044 0.000 0.746 69 E HN 0.666 nan 8.360 nan 0.000 0.450 70 R N 0.084 120.558 120.500 -0.044 0.000 2.167 70 R HA 0.173 4.513 4.340 0.001 0.000 0.201 70 R C 1.296 177.595 176.300 -0.001 0.000 1.024 70 R CA -0.026 56.057 56.100 -0.028 0.000 1.053 70 R CB 0.120 30.384 30.300 -0.059 0.000 0.987 70 R HN -0.109 nan 8.270 nan 0.000 0.493 71 S N 1.163 116.847 115.700 -0.026 0.000 2.572 71 S HA 0.149 4.619 4.470 0.001 0.000 0.267 71 S C 0.160 174.788 174.600 0.047 0.000 1.361 71 S CA 0.109 58.309 58.200 -0.000 0.000 1.009 71 S CB 0.878 64.049 63.200 -0.048 0.000 0.888 71 S HN 0.438 nan 8.310 nan 0.000 0.553 72 S N 0.506 116.249 115.700 0.073 0.000 2.606 72 S HA 0.324 4.794 4.470 0.001 0.000 0.290 72 S C -0.191 174.431 174.600 0.038 0.000 1.103 72 S CA -1.016 57.218 58.200 0.057 0.000 0.870 72 S CB 0.854 64.103 63.200 0.081 0.000 1.077 72 S HN 0.597 nan 8.310 nan 0.000 0.448 73 R N 0.812 121.313 120.500 0.002 0.000 2.328 73 R HA 0.003 4.344 4.340 0.001 0.000 0.207 73 R C 1.877 178.156 176.300 -0.036 0.000 1.056 73 R CA 1.196 57.290 56.100 -0.010 0.000 1.016 73 R CB -0.096 30.197 30.300 -0.010 0.000 0.872 73 R HN 0.865 nan 8.270 nan 0.000 0.471 74 E N 0.169 120.320 120.200 -0.081 0.000 2.016 74 E HA -0.168 4.182 4.350 0.001 0.000 0.190 74 E C 1.066 177.559 176.600 -0.177 0.000 0.985 74 E CA 0.984 57.281 56.400 -0.172 0.000 0.802 74 E CB 0.005 29.526 29.700 -0.299 0.000 0.762 74 E HN 0.253 nan 8.360 nan 0.000 0.448 75 Y N 1.295 121.549 120.300 -0.077 0.000 2.421 75 Y HA -0.113 4.437 4.550 0.001 0.000 0.292 75 Y C 2.249 178.104 175.900 -0.075 0.000 1.136 75 Y CA 1.379 59.416 58.100 -0.105 0.000 1.255 75 Y CB -0.230 38.178 38.460 -0.086 0.000 0.991 75 Y HN 0.248 nan 8.280 nan 0.000 0.552 76 E N -0.001 120.248 120.200 0.081 0.000 2.047 76 E HA -0.296 4.055 4.350 0.001 0.000 0.191 76 E C 2.091 178.692 176.600 0.002 0.000 0.987 76 E CA 1.248 57.665 56.400 0.028 0.000 0.799 76 E CB 0.021 29.720 29.700 -0.001 0.000 0.752 76 E HN 0.328 nan 8.360 nan 0.000 0.449 77 Q N 0.460 120.252 119.800 -0.013 0.000 2.167 77 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 77 Q C 2.011 178.014 176.000 0.006 0.000 0.970 77 Q CA 1.458 57.254 55.803 -0.012 0.000 0.855 77 Q CB -0.161 28.564 28.738 -0.022 0.000 0.911 77 Q HN 0.211 nan 8.270 nan 0.000 0.438 78 Q N 0.059 119.855 119.800 -0.007 0.000 2.079 78 Q HA -0.091 4.250 4.340 0.001 0.000 0.200 78 Q C 2.031 178.062 176.000 0.051 0.000 0.974 78 Q CA 1.535 57.334 55.803 -0.007 0.000 0.840 78 Q CB -0.205 28.484 28.738 -0.082 0.000 0.898 78 Q HN 0.576 nan 8.270 nan 0.000 0.430 79 I N 0.367 120.983 120.570 0.077 0.000 2.202 79 I HA -0.300 3.870 4.170 0.001 0.000 0.242 79 I C 2.172 178.385 176.117 0.160 0.000 1.091 79 I CA 0.541 61.923 61.300 0.136 0.000 1.368 79 I CB -0.353 37.733 38.000 0.144 0.000 1.058 79 I HN 0.147 nan 8.210 nan 0.000 0.410 80 L N 0.574 121.853 121.223 0.094 0.000 2.043 80 L HA -0.255 4.085 4.340 0.001 0.000 0.212 80 L C 2.585 179.632 176.870 0.295 0.000 1.075 80 L CA 1.815 56.709 54.840 0.088 0.000 0.752 80 L CB -0.947 41.054 42.059 -0.096 0.000 0.891 80 L HN 0.268 nan 8.230 nan 0.000 0.432 81 E N -0.607 119.712 120.200 0.198 0.000 2.106 81 E HA -0.136 4.214 4.350 0.001 0.000 0.192 81 E C 2.231 178.956 176.600 0.209 0.000 0.984 81 E CA 1.333 57.844 56.400 0.186 0.000 0.806 81 E CB 0.102 29.842 29.700 0.067 0.000 0.750 81 E HN 0.450 nan 8.360 nan 0.000 0.458 82 S N 0.720 116.532 115.700 0.188 0.000 2.382 82 S HA -0.070 4.400 4.470 0.001 0.000 0.228 82 S C 2.110 176.894 174.600 0.308 0.000 1.027 82 S CA 0.709 59.048 58.200 0.231 0.000 0.991 82 S CB -0.125 63.190 63.200 0.192 0.000 0.823 82 S HN 0.225 nan 8.310 nan 0.000 0.469 83 L N 1.062 122.462 121.223 0.294 0.000 1.988 83 L HA -0.037 4.303 4.340 0.001 0.000 0.207 83 L C 2.849 179.829 176.870 0.183 0.000 1.071 83 L CA 1.136 56.135 54.840 0.264 0.000 0.744 83 L CB -0.500 41.806 42.059 0.411 0.000 0.893 83 L HN 0.185 nan 8.230 nan 0.000 0.433 84 R N -0.126 120.525 120.500 0.251 0.000 2.159 84 R HA -0.248 4.093 4.340 0.001 0.000 0.237 84 R C 1.929 178.232 176.300 0.005 0.000 1.131 84 R CA 1.393 57.481 56.100 -0.020 0.000 0.982 84 R CB -0.609 29.674 30.300 -0.029 0.000 0.868 84 R HN 0.469 nan 8.270 nan 0.000 0.453 85 W N -0.168 121.099 121.300 -0.055 0.000 2.825 85 W HA -0.058 4.603 4.660 0.000 0.000 0.243 85 W C 0.720 177.182 176.519 -0.095 0.000 1.293 85 W CA 0.392 57.695 57.345 -0.071 0.000 1.403 85 W CB 0.049 29.487 29.460 -0.037 0.000 1.134 85 W HN 0.046 nan 8.180 nan 0.000 0.666 86 C N 0.328 119.529 119.300 -0.166 0.000 3.000 86 C HA 0.493 4.954 4.460 0.001 0.000 0.286 86 C C 1.880 176.591 174.990 -0.465 0.000 1.343 86 C CA 0.364 59.184 59.018 -0.331 0.000 1.742 86 C CB -0.681 26.950 27.740 -0.182 0.000 2.200 86 C HN 0.563 nan 8.230 nan 0.000 0.621 87 G N 1.585 110.113 108.800 -0.453 0.000 2.175 87 G HA2 -0.284 3.676 3.960 0.001 0.000 0.265 87 G HA3 -0.284 3.676 3.960 0.001 0.000 0.265 87 G C 0.313 174.649 174.900 -0.940 0.000 0.979 87 G CA 0.237 45.001 45.100 -0.559 0.000 0.663 87 G HN 0.605 nan 8.290 nan 0.000 0.533 88 L N 1.950 122.665 121.223 -0.847 0.000 2.919 88 L HA 0.249 4.590 4.340 0.001 0.000 0.242 88 L C 0.841 177.434 176.870 -0.462 0.000 1.366 88 L CA -0.186 54.010 54.840 -1.073 0.000 1.212 88 L CB -0.825 40.896 42.059 -0.563 0.000 1.604 88 L HN 0.448 nan 8.230 nan 0.000 0.433 89 D N -0.810 119.306 120.400 -0.473 0.000 2.548 89 D HA -0.056 4.584 4.640 0.001 0.000 0.231 89 D C -0.203 176.144 176.300 0.078 0.000 1.142 89 D CA -0.180 53.580 54.000 -0.401 0.000 0.866 89 D CB 0.383 40.985 40.800 -0.331 0.000 1.190 89 D HN 0.201 nan 8.370 nan 0.000 0.469 90 W N 1.242 122.686 121.300 0.240 0.000 2.381 90 W HA 0.483 5.143 4.660 0.000 0.000 0.329 90 W C -0.074 176.511 176.519 0.110 0.000 1.157 90 W CA -1.048 56.394 57.345 0.162 0.000 1.240 90 W CB 0.504 29.924 29.460 -0.067 0.000 1.199 90 W HN 0.175 nan 8.180 nan 0.000 0.579 91 D N 0.978 121.555 120.400 0.296 0.000 2.216 91 D HA -0.065 4.575 4.640 0.001 0.000 0.208 91 D C 0.045 176.431 176.300 0.143 0.000 0.960 91 D CA 1.143 55.258 54.000 0.191 0.000 0.861 91 D CB 0.167 41.071 40.800 0.174 0.000 0.985 91 D HN 0.632 nan 8.370 nan 0.000 0.493 92 E N 0.438 120.663 120.200 0.041 0.000 3.651 92 E HA 0.446 4.797 4.350 0.001 0.000 0.220 92 E C -0.081 176.062 176.600 -0.762 0.000 1.222 92 E CA -0.394 55.890 56.400 -0.194 0.000 1.114 92 E CB 1.371 31.068 29.700 -0.005 0.000 1.278 92 E HN -0.001 nan 8.360 nan 0.000 0.412 93 G N 1.768 110.297 108.800 -0.451 0.000 2.502 93 G HA2 0.235 4.195 3.960 0.001 0.000 0.305 93 G HA3 0.235 4.195 3.960 0.001 0.000 0.305 93 G C -1.583 172.940 174.900 -0.628 0.000 1.190 93 G CA -1.305 43.370 45.100 -0.708 0.000 0.933 93 G HN 0.035 nan 8.290 nan 0.000 0.503 94 P HA -0.009 nan 4.420 nan 0.000 0.242 94 P C 0.257 177.528 177.300 -0.049 0.000 1.197 94 P CA 0.883 63.961 63.100 -0.036 0.000 0.765 94 P CB 0.367 32.047 31.700 -0.033 0.000 0.936 95 D N 0.141 120.454 120.400 -0.145 0.000 2.463 95 D HA -0.033 4.607 4.640 0.001 0.000 0.237 95 D C 1.949 178.299 176.300 0.083 0.000 1.013 95 D CA 0.323 54.305 54.000 -0.030 0.000 0.910 95 D CB -0.672 40.098 40.800 -0.050 0.000 1.080 95 D HN 0.278 nan 8.370 nan 0.000 0.498 96 I N -1.860 118.783 120.570 0.122 0.000 2.927 96 I HA 0.395 4.565 4.170 0.001 0.000 0.268 96 I C 1.266 177.473 176.117 0.151 0.000 1.153 96 I CA 0.591 61.992 61.300 0.169 0.000 1.459 96 I CB -0.003 38.148 38.000 0.252 0.000 1.149 96 I HN 0.173 nan 8.210 nan 0.000 0.443 97 G N 0.321 109.221 108.800 0.168 0.000 2.710 97 G HA2 0.271 4.231 3.960 0.001 0.000 0.668 97 G HA3 0.271 4.231 3.960 0.001 0.000 0.668 97 G C -0.335 174.788 174.900 0.372 0.000 1.320 97 G CA -0.522 44.799 45.100 0.367 0.000 0.860 97 G HN 1.019 nan 8.290 nan 0.000 0.538 98 G N -2.167 106.899 108.800 0.444 0.000 2.604 98 G HA2 0.577 4.538 3.960 0.001 0.000 0.242 98 G HA3 0.577 4.538 3.960 0.001 0.000 0.242 98 G C -0.495 174.459 174.900 0.090 0.000 1.208 98 G CA 0.794 46.064 45.100 0.283 0.000 0.912 98 G HN 0.753 nan 8.290 nan 0.000 0.502 99 D N -0.068 120.311 120.400 -0.035 0.000 2.395 99 D HA 0.245 4.885 4.640 0.001 0.000 0.213 99 D C -0.299 175.635 176.300 -0.611 0.000 1.110 99 D CA 0.306 54.103 54.000 -0.338 0.000 0.835 99 D CB 0.648 41.166 40.800 -0.471 0.000 0.965 99 D HN 0.092 nan 8.370 nan 0.000 0.505 100 F N 0.731 120.643 119.950 -0.064 0.000 2.749 100 F HA 0.344 4.872 4.527 0.001 0.000 0.380 100 F C 1.106 176.596 175.800 -0.517 0.000 1.365 100 F CA -0.823 57.071 58.000 -0.177 0.000 1.186 100 F CB 1.023 39.993 39.000 -0.048 0.000 1.080 100 F HN -0.262 nan 8.300 nan 0.000 0.513 101 G N 0.887 109.415 108.800 -0.454 0.000 2.522 101 G HA2 0.573 4.533 3.960 0.001 0.000 0.304 101 G HA3 0.573 4.533 3.960 0.001 0.000 0.304 101 G C -2.380 172.322 174.900 -0.329 0.000 1.210 101 G CA -1.263 43.433 45.100 -0.672 0.000 0.960 101 G HN -0.016 nan 8.290 nan 0.000 0.497 102 P HA 0.177 nan 4.420 nan 0.000 0.274 102 P C -0.999 176.121 177.300 -0.301 0.000 1.231 102 P CA -0.311 62.638 63.100 -0.252 0.000 0.790 102 P CB 0.969 32.609 31.700 -0.099 0.000 0.951 103 Y N 0.400 120.706 120.300 0.010 0.000 2.537 103 Y HA 0.238 4.788 4.550 0.001 0.000 0.303 103 Y C 1.153 177.051 175.900 -0.003 0.000 1.176 103 Y CA 0.121 58.220 58.100 -0.001 0.000 1.273 103 Y CB 0.110 38.554 38.460 -0.027 0.000 1.110 103 Y HN 0.088 nan 8.280 nan 0.000 0.518 104 R N 0.431 120.995 120.500 0.107 0.000 2.473 104 R HA 0.204 4.544 4.340 0.001 0.000 0.303 104 R C 0.565 176.941 176.300 0.127 0.000 1.002 104 R CA -0.330 55.830 56.100 0.100 0.000 0.884 104 R CB 1.231 31.580 30.300 0.082 0.000 1.173 104 R HN 0.353 nan 8.270 nan 0.000 0.464 105 Q N 0.371 120.274 119.800 0.172 0.000 2.297 105 Q HA -0.146 4.195 4.340 0.001 0.000 0.208 105 Q C 1.404 177.619 176.000 0.359 0.000 0.981 105 Q CA 1.854 57.845 55.803 0.312 0.000 0.876 105 Q CB 0.112 28.998 28.738 0.247 0.000 0.921 105 Q HN 0.604 nan 8.270 nan 0.000 0.446 106 S N -0.154 115.699 115.700 0.254 0.000 2.561 106 S HA -0.050 4.421 4.470 0.001 0.000 0.225 106 S C 1.192 175.917 174.600 0.208 0.000 0.977 106 S CA 0.490 58.871 58.200 0.301 0.000 0.926 106 S CB 0.127 63.467 63.200 0.234 0.000 0.769 106 S HN 0.362 nan 8.310 nan 0.000 0.533 107 E N 0.545 120.829 120.200 0.141 0.000 2.473 107 E HA 0.200 4.551 4.350 0.001 0.000 0.204 107 E C 1.126 177.730 176.600 0.006 0.000 0.994 107 E CA -0.118 56.319 56.400 0.062 0.000 0.945 107 E CB 0.295 30.014 29.700 0.032 0.000 0.990 107 E HN 0.433 nan 8.360 nan 0.000 0.493 108 R N 0.780 121.283 120.500 0.006 0.000 2.552 108 R HA 0.250 4.590 4.340 0.001 0.000 0.314 108 R C 1.525 177.640 176.300 -0.308 0.000 1.041 108 R CA -0.123 55.843 56.100 -0.223 0.000 1.076 108 R CB 0.234 30.291 30.300 -0.405 0.000 1.290 108 R HN 0.091 nan 8.270 nan 0.000 0.563 109 L N 0.694 121.932 121.223 0.024 0.000 2.021 109 L HA -0.271 4.069 4.340 0.001 0.000 0.215 109 L C 2.061 178.954 176.870 0.038 0.000 1.074 109 L CA 1.461 56.379 54.840 0.130 0.000 0.760 109 L CB -0.340 41.720 42.059 0.001 0.000 0.889 109 L HN 0.218 nan 8.230 nan 0.000 0.433 110 E N 0.239 120.404 120.200 -0.057 0.000 2.072 110 E HA -0.151 4.199 4.350 0.001 0.000 0.191 110 E C 2.288 178.828 176.600 -0.100 0.000 0.985 110 E CA 1.103 57.471 56.400 -0.054 0.000 0.801 110 E CB -0.237 29.425 29.700 -0.063 0.000 0.750 110 E HN 0.542 nan 8.360 nan 0.000 0.452 111 I N 0.554 120.982 120.570 -0.237 0.000 2.248 111 I HA -0.308 3.863 4.170 0.001 0.000 0.248 111 I C 2.073 178.114 176.117 -0.128 0.000 1.107 111 I CA 1.324 62.460 61.300 -0.273 0.000 1.373 111 I CB -0.403 37.356 38.000 -0.401 0.000 1.055 111 I HN 0.097 nan 8.210 nan 0.000 0.418 112 Y N 0.026 120.394 120.300 0.114 0.000 2.395 112 Y HA -0.105 4.446 4.550 0.001 0.000 0.293 112 Y C 2.569 178.672 175.900 0.337 0.000 1.123 112 Y CA 0.635 58.852 58.100 0.194 0.000 1.227 112 Y CB -0.568 38.000 38.460 0.181 0.000 1.012 112 Y HN 0.019 nan 8.280 nan 0.000 0.552 113 R N 0.690 121.370 120.500 0.301 0.000 2.240 113 R HA -0.009 4.332 4.340 0.001 0.000 0.203 113 R C 1.671 178.064 176.300 0.156 0.000 1.011 113 R CA 0.801 57.033 56.100 0.220 0.000 1.007 113 R CB -0.093 30.285 30.300 0.129 0.000 0.911 113 R HN 0.157 nan 8.270 nan 0.000 0.468 114 E N -0.685 119.552 120.200 0.061 0.000 2.033 114 E HA -0.138 4.212 4.350 0.001 0.000 0.189 114 E C 1.605 178.196 176.600 -0.015 0.000 0.979 114 E CA 1.276 57.628 56.400 -0.080 0.000 0.802 114 E CB -0.405 29.097 29.700 -0.329 0.000 0.763 114 E HN 0.384 nan 8.360 nan 0.000 0.449 115 Y N 1.066 121.512 120.300 0.244 0.000 2.439 115 Y HA -0.002 4.548 4.550 0.001 0.000 0.292 115 Y C 2.321 178.527 175.900 0.510 0.000 1.130 115 Y CA 0.620 58.953 58.100 0.388 0.000 1.254 115 Y CB -0.693 37.948 38.460 0.302 0.000 1.000 115 Y HN 0.027 nan 8.280 nan 0.000 0.554 116 A N 0.200 123.370 122.820 0.582 0.000 1.908 116 A HA -0.180 4.140 4.320 0.001 0.000 0.218 116 A C 2.189 179.852 177.584 0.132 0.000 1.181 116 A CA 1.764 53.979 52.037 0.297 0.000 0.627 116 A CB -0.389 18.712 19.000 0.168 0.000 0.818 116 A HN 0.304 nan 8.150 nan 0.000 0.445 117 E N -0.333 119.960 120.200 0.155 0.000 2.150 117 E HA -0.147 4.203 4.350 0.001 0.000 0.193 117 E C 1.708 178.384 176.600 0.127 0.000 0.985 117 E CA 0.969 57.437 56.400 0.113 0.000 0.814 117 E CB -0.231 29.546 29.700 0.129 0.000 0.752 117 E HN 0.672 nan 8.360 nan 0.000 0.466 118 K N 0.508 121.036 120.400 0.212 0.000 2.616 118 K HA -0.043 4.277 4.320 0.001 0.000 0.192 118 K C 1.431 178.130 176.600 0.165 0.000 1.031 118 K CA 0.243 56.683 56.287 0.255 0.000 1.004 118 K CB 0.140 32.931 32.500 0.485 0.000 0.810 118 K HN 0.070 nan 8.250 nan 0.000 0.497 119 L N -2.389 118.887 121.223 0.089 0.000 2.658 119 L HA 0.018 4.358 4.340 0.001 0.000 0.201 119 L C 1.786 178.636 176.870 -0.032 0.000 1.050 119 L CA -0.055 54.777 54.840 -0.014 0.000 0.893 119 L CB -0.082 41.967 42.059 -0.016 0.000 1.503 119 L HN -0.162 nan 8.230 nan 0.000 0.485 120 V N 0.350 120.224 119.914 -0.067 0.000 2.287 120 V HA -0.216 3.904 4.120 0.001 0.000 0.248 120 V C 1.867 177.971 176.094 0.018 0.000 1.053 120 V CA 1.638 63.876 62.300 -0.103 0.000 1.027 120 V CB -0.403 31.211 31.823 -0.349 0.000 0.646 120 V HN 0.381 nan 8.190 nan 0.000 0.447 121 E N 0.063 120.280 120.200 0.029 0.000 2.463 121 E HA -0.020 4.330 4.350 0.001 0.000 0.191 121 E C 0.195 176.795 176.600 0.001 0.000 1.083 121 E CA 0.377 56.803 56.400 0.045 0.000 0.872 121 E CB -0.032 29.711 29.700 0.073 0.000 0.966 121 E HN 0.703 nan 8.360 nan 0.000 0.491 122 D N -0.342 120.042 120.400 -0.026 0.000 2.540 122 D HA 0.130 4.770 4.640 0.001 0.000 0.229 122 D C 0.144 176.372 176.300 -0.121 0.000 1.250 122 D CA -0.186 53.778 54.000 -0.059 0.000 0.817 122 D CB 0.520 41.296 40.800 -0.041 0.000 1.060 122 D HN -0.069 nan 8.370 nan 0.000 0.508 123 K N -0.345 119.953 120.400 -0.170 0.000 3.529 123 K HA -0.214 4.107 4.320 0.001 0.000 0.313 123 K C 0.562 177.094 176.600 -0.112 0.000 1.316 123 K CA 0.646 56.749 56.287 -0.307 0.000 0.988 123 K CB -0.634 31.634 32.500 -0.387 0.000 1.252 123 K HN 0.053 nan 8.250 nan 0.000 0.438 124 R N -0.117 120.324 120.500 -0.097 0.000 2.515 124 R HA 0.427 4.767 4.340 0.001 0.000 0.294 124 R C 0.027 176.209 176.300 -0.196 0.000 1.021 124 R CA 0.730 56.720 56.100 -0.184 0.000 1.081 124 R CB 0.898 31.101 30.300 -0.162 0.000 1.263 124 R HN 0.338 nan 8.270 nan 0.000 0.557 125 A N 0.225 123.033 122.820 -0.021 0.000 2.567 125 A HA 0.600 4.920 4.320 0.001 0.000 0.291 125 A C -1.887 175.738 177.584 0.068 0.000 1.048 125 A CA -0.919 51.082 52.037 -0.060 0.000 0.661 125 A CB 1.017 19.910 19.000 -0.178 0.000 1.288 125 A HN 0.213 nan 8.150 nan 0.000 0.424 126 Y N -2.468 117.599 120.300 -0.389 0.000 2.624 126 Y HA 0.760 5.310 4.550 0.001 0.000 0.334 126 Y C -1.631 173.942 175.900 -0.545 0.000 1.155 126 Y CA -1.823 55.978 58.100 -0.498 0.000 1.046 126 Y CB 0.267 38.367 38.460 -0.601 0.000 1.316 126 Y HN 0.635 nan 8.280 nan 0.000 0.457 127 Y N 0.875 121.002 120.300 -0.289 0.000 2.299 127 Y HA 0.583 5.134 4.550 0.001 0.000 0.326 127 Y C -0.192 175.423 175.900 -0.475 0.000 1.164 127 Y CA -1.101 56.757 58.100 -0.402 0.000 1.234 127 Y CB 1.713 39.972 38.460 -0.335 0.000 1.219 127 Y HN 0.508 nan 8.280 nan 0.000 0.497 128 V N 4.672 124.352 119.914 -0.389 0.000 2.289 128 V HA 0.217 4.337 4.120 0.001 0.000 0.272 128 V C -0.353 175.245 176.094 -0.826 0.000 1.026 128 V CA -0.936 61.022 62.300 -0.570 0.000 0.807 128 V CB 0.609 32.119 31.823 -0.521 0.000 1.044 128 V HN 0.544 nan 8.190 nan 0.000 0.443 129 V N 4.866 124.318 119.914 -0.770 0.000 2.843 129 V HA 0.239 4.360 4.120 0.001 0.000 0.305 129 V C -0.107 175.662 176.094 -0.542 0.000 1.065 129 V CA 0.242 62.203 62.300 -0.566 0.000 1.116 129 V CB 0.438 31.990 31.823 -0.452 0.000 0.968 129 V HN 0.656 nan 8.190 nan 0.000 0.487 130 Y N 0.761 121.074 120.300 0.023 0.000 2.675 130 Y HA 0.460 5.010 4.550 0.001 0.000 0.328 130 Y C 0.207 176.217 175.900 0.184 0.000 1.092 130 Y CA -1.581 56.559 58.100 0.067 0.000 1.190 130 Y CB 0.684 39.185 38.460 0.068 0.000 1.350 130 Y HN 0.653 nan 8.280 nan 0.000 0.525 131 D N 0.239 120.874 120.400 0.391 0.000 2.302 131 D HA 0.121 4.762 4.640 0.001 0.000 0.248 131 D C 0.904 177.442 176.300 0.397 0.000 1.094 131 D CA -0.087 54.160 54.000 0.412 0.000 0.897 131 D CB 1.109 42.050 40.800 0.234 0.000 1.200 131 D HN 0.516 nan 8.370 nan 0.000 0.429 132 K N 2.083 122.676 120.400 0.320 0.000 2.025 132 K HA -0.144 4.177 4.320 0.001 0.000 0.207 132 K C 1.179 177.802 176.600 0.039 0.000 1.049 132 K CA 1.041 57.309 56.287 -0.032 0.000 0.933 132 K CB 0.153 32.461 32.500 -0.320 0.000 0.714 132 K HN 0.438 nan 8.250 nan 0.000 0.438 133 E N 0.661 120.904 120.200 0.072 0.000 2.150 133 E HA -0.128 4.223 4.350 0.001 0.000 0.193 133 E C -0.056 176.577 176.600 0.054 0.000 0.985 133 E CA 1.017 57.449 56.400 0.053 0.000 0.814 133 E CB -0.080 29.655 29.700 0.058 0.000 0.752 133 E HN 0.331 nan 8.360 nan 0.000 0.466 134 D N -0.709 119.737 120.400 0.078 0.000 2.346 134 D HA 0.180 4.820 4.640 0.001 0.000 0.255 134 D C -2.276 174.061 176.300 0.061 0.000 1.276 134 D CA -2.084 51.948 54.000 0.054 0.000 0.941 134 D CB 1.447 42.275 40.800 0.046 0.000 1.199 134 D HN -0.287 nan 8.370 nan 0.000 0.537 135 P HA -0.091 nan 4.420 nan 0.000 0.229 135 P C 0.564 177.733 177.300 -0.220 0.000 1.150 135 P CA 0.772 63.875 63.100 0.006 0.000 0.765 135 P CB 0.168 31.868 31.700 0.000 0.000 0.783 136 S N -2.617 112.977 115.700 -0.177 0.000 2.572 136 S HA 0.147 4.617 4.470 0.001 0.000 0.228 136 S C 0.575 175.080 174.600 -0.157 0.000 0.963 136 S CA -0.391 57.646 58.200 -0.272 0.000 0.939 136 S CB -0.396 62.715 63.200 -0.148 0.000 0.804 136 S HN 0.009 nan 8.310 nan 0.000 0.480 137 K N 2.212 122.602 120.400 -0.017 0.000 2.367 137 K HA 0.255 4.575 4.320 0.001 0.000 0.263 137 K C -0.738 176.053 176.600 0.319 0.000 1.000 137 K CA -0.305 56.050 56.287 0.114 0.000 0.891 137 K CB 0.795 33.356 32.500 0.102 0.000 1.117 137 K HN 0.284 nan 8.250 nan 0.000 0.443 138 E N 3.871 124.268 120.200 0.328 0.000 2.414 138 E HA -0.078 4.272 4.350 0.001 0.000 0.263 138 E C 0.262 176.945 176.600 0.138 0.000 1.000 138 E CA -0.177 56.413 56.400 0.318 0.000 0.914 138 E CB 0.907 30.728 29.700 0.201 0.000 0.948 138 E HN 0.400 nan 8.360 nan 0.000 0.444 139 L N 3.514 124.759 121.223 0.036 0.000 3.076 139 L HA 0.333 4.674 4.340 0.001 0.000 0.173 139 L C 0.098 177.037 176.870 0.115 0.000 1.343 139 L CA 1.115 55.992 54.840 0.062 0.000 0.894 139 L CB -0.101 41.997 42.059 0.065 0.000 1.372 139 L HN 0.606 nan 8.230 nan 0.000 0.565 140 F N -0.865 118.950 119.950 -0.224 0.000 2.824 140 F HA 0.665 5.192 4.527 0.001 0.000 0.330 140 F C -0.306 175.388 175.800 -0.178 0.000 1.175 140 F CA -0.601 57.283 58.000 -0.193 0.000 0.974 140 F CB 0.556 39.421 39.000 -0.225 0.000 1.430 140 F HN 0.187 nan 8.300 nan 0.000 0.507 141 T N -1.808 112.562 114.554 -0.306 0.000 2.910 141 T HA 0.783 5.133 4.350 0.001 0.000 0.287 141 T C -0.759 173.746 174.700 -0.326 0.000 1.050 141 T CA -0.389 61.503 62.100 -0.347 0.000 1.011 141 T CB 1.556 70.332 68.868 -0.153 0.000 1.195 141 T HN 1.250 nan 8.240 nan 0.000 0.540 142 T N -0.793 113.606 114.554 -0.259 0.000 2.907 142 T HA 0.381 4.731 4.350 0.001 0.000 0.344 142 T C -1.534 173.084 174.700 -0.137 0.000 1.675 142 T CA -0.588 61.424 62.100 -0.146 0.000 1.076 142 T CB 0.846 69.722 68.868 0.014 0.000 1.483 142 T HN 0.592 nan 8.240 nan 0.000 0.487 143 Y N 1.733 122.090 120.300 0.095 0.000 2.468 143 Y HA 0.352 4.903 4.550 0.001 0.000 0.268 143 Y C 1.069 177.057 175.900 0.146 0.000 1.177 143 Y CA -0.343 57.799 58.100 0.069 0.000 1.265 143 Y CB 0.487 38.959 38.460 0.021 0.000 1.103 143 Y HN 0.628 nan 8.280 nan 0.000 0.522 144 E N -1.450 118.958 120.200 0.346 0.000 2.290 144 E HA 0.140 4.490 4.350 0.001 0.000 0.274 144 E C -1.353 175.430 176.600 0.306 0.000 0.889 144 E CA -1.002 55.595 56.400 0.327 0.000 0.760 144 E CB 0.930 30.756 29.700 0.211 0.000 1.206 144 E HN 0.258 nan 8.360 nan 0.000 0.419 145 Y N 4.867 125.171 120.300 0.007 0.000 2.713 145 Y HA 0.088 4.638 4.550 0.001 0.000 0.341 145 Y C -1.778 173.878 175.900 -0.407 0.000 1.167 145 Y CA -1.609 56.185 58.100 -0.510 0.000 1.503 145 Y CB 0.732 38.815 38.460 -0.628 0.000 1.199 145 Y HN 0.471 nan 8.280 nan 0.000 0.525 146 P HA 0.145 nan 4.420 nan 0.000 0.278 146 P C -0.634 176.358 177.300 -0.514 0.000 1.258 146 P CA -0.158 62.845 63.100 -0.162 0.000 0.811 146 P CB 1.400 33.299 31.700 0.333 0.000 1.063 147 H N -0.294 118.675 119.070 -0.168 0.000 3.017 147 H HA 0.104 4.660 4.556 0.001 0.000 0.255 147 H C 0.777 175.994 175.328 -0.185 0.000 0.990 147 H CA 0.449 56.364 56.048 -0.223 0.000 1.205 147 H CB 0.298 29.932 29.762 -0.214 0.000 1.460 147 H HN 0.451 nan 8.280 nan 0.000 0.478 148 E N 0.447 120.519 120.200 -0.213 0.000 2.512 148 E HA -0.022 4.328 4.350 0.001 0.000 0.195 148 E C -0.270 175.989 176.600 -0.569 0.000 1.083 148 E CA 0.438 56.576 56.400 -0.437 0.000 0.873 148 E CB -0.016 29.288 29.700 -0.660 0.000 0.897 148 E HN 0.442 nan 8.360 nan 0.000 0.514 149 Y N -1.050 119.347 120.300 0.161 0.000 2.742 149 Y HA 0.389 4.940 4.550 0.001 0.000 0.248 149 Y C 1.341 177.389 175.900 0.246 0.000 1.132 149 Y CA -0.523 57.737 58.100 0.267 0.000 1.142 149 Y CB 0.683 39.297 38.460 0.257 0.000 1.222 149 Y HN -0.154 nan 8.280 nan 0.000 0.575 150 K N -0.100 120.440 120.400 0.233 0.000 2.631 150 K HA 0.160 4.481 4.320 0.001 0.000 0.200 150 K C 1.143 177.805 176.600 0.103 0.000 1.481 150 K CA 0.580 56.978 56.287 0.185 0.000 1.087 150 K CB 0.645 33.241 32.500 0.159 0.000 1.502 150 K HN 0.064 nan 8.250 nan 0.000 0.560 151 E N 1.427 121.662 120.200 0.060 0.000 2.347 151 E HA -0.063 4.287 4.350 0.001 0.000 0.196 151 E C 1.404 178.011 176.600 0.011 0.000 1.008 151 E CA 0.798 57.210 56.400 0.020 0.000 0.852 151 E CB 0.306 30.000 29.700 -0.010 0.000 0.783 151 E HN 0.307 nan 8.360 nan 0.000 0.505 152 K N -0.783 119.629 120.400 0.021 0.000 2.078 152 K HA 0.098 4.418 4.320 0.001 0.000 0.203 152 K C 1.299 177.851 176.600 -0.080 0.000 1.043 152 K CA 1.007 57.280 56.287 -0.023 0.000 0.960 152 K CB 0.485 32.984 32.500 -0.000 0.000 0.761 152 K HN 0.161 nan 8.250 nan 0.000 0.448 153 G N 0.863 109.606 108.800 -0.095 0.000 3.136 153 G HA2 -0.073 3.887 3.960 0.001 0.000 0.221 153 G HA3 -0.073 3.887 3.960 0.001 0.000 0.221 153 G C -0.831 174.005 174.900 -0.107 0.000 0.961 153 G CA -0.688 44.352 45.100 -0.100 0.000 0.983 153 G HN 0.138 nan 8.290 nan 0.000 0.648 154 H N 1.191 120.356 119.070 0.158 0.000 2.552 154 H HA 0.366 4.922 4.556 0.001 0.000 0.311 154 H C -2.385 173.053 175.328 0.183 0.000 1.071 154 H CA -1.635 54.526 56.048 0.187 0.000 1.307 154 H CB 1.622 31.529 29.762 0.242 0.000 1.416 154 H HN 0.094 nan 8.280 nan 0.000 0.464 155 P HA 0.020 nan 4.420 nan 0.000 0.269 155 P C -0.583 176.845 177.300 0.214 0.000 1.215 155 P CA -0.119 63.166 63.100 0.309 0.000 0.780 155 P CB 0.884 32.843 31.700 0.431 0.000 0.898 156 V N 1.564 121.554 119.914 0.127 0.000 2.567 156 V HA 0.460 4.580 4.120 0.001 0.000 0.298 156 V C 0.038 176.111 176.094 -0.035 0.000 1.047 156 V CA -0.449 61.818 62.300 -0.055 0.000 0.880 156 V CB 1.823 33.570 31.823 -0.126 0.000 1.009 156 V HN 0.721 nan 8.190 nan 0.000 0.429 157 T N 2.536 117.047 114.554 -0.071 0.000 2.907 157 T HA 0.841 5.191 4.350 0.001 0.000 0.290 157 T C -0.674 173.925 174.700 -0.168 0.000 1.066 157 T CA -0.785 61.290 62.100 -0.043 0.000 1.012 157 T CB 2.168 71.076 68.868 0.066 0.000 1.184 157 T HN 0.327 nan 8.240 nan 0.000 0.522 158 I N 1.061 121.482 120.570 -0.248 0.000 2.404 158 I HA 0.468 4.638 4.170 0.001 0.000 0.293 158 I C -0.080 175.711 176.117 -0.543 0.000 0.992 158 I CA -0.979 60.039 61.300 -0.471 0.000 1.149 158 I CB 1.920 39.628 38.000 -0.487 0.000 1.315 158 I HN 0.506 nan 8.210 nan 0.000 0.446 159 K N 5.253 125.187 120.400 -0.778 0.000 2.270 159 K HA 0.406 4.727 4.320 0.001 0.000 0.255 159 K C -1.032 175.180 176.600 -0.647 0.000 0.936 159 K CA -0.753 55.097 56.287 -0.729 0.000 0.809 159 K CB 2.481 34.499 32.500 -0.803 0.000 1.131 159 K HN 0.313 nan 8.250 nan 0.000 0.427 160 F N 3.381 122.856 119.950 -0.791 0.000 2.472 160 F HA 0.100 4.628 4.527 0.001 0.000 0.364 160 F C 0.491 176.126 175.800 -0.275 0.000 1.090 160 F CA -0.349 57.272 58.000 -0.632 0.000 1.188 160 F CB 0.533 38.944 39.000 -0.982 0.000 1.105 160 F HN 0.292 nan 8.300 nan 0.000 0.536 161 K N 6.492 126.491 120.400 -0.668 0.000 2.315 161 K HA 0.277 4.597 4.320 0.001 0.000 0.291 161 K C -1.135 175.105 176.600 -0.600 0.000 1.074 161 K CA -0.309 55.741 56.287 -0.395 0.000 0.936 161 K CB 0.248 32.604 32.500 -0.242 0.000 1.049 161 K HN 0.516 nan 8.250 nan 0.000 0.471 162 V N 6.995 126.772 119.914 -0.229 0.000 2.408 162 V HA 0.152 4.272 4.120 0.001 0.000 0.267 162 V C 0.408 176.466 176.094 -0.060 0.000 1.047 162 V CA -0.477 61.784 62.300 -0.065 0.000 0.937 162 V CB 0.660 32.569 31.823 0.144 0.000 0.999 162 V HN 0.667 nan 8.190 nan 0.000 0.472 163 L N 7.639 128.826 121.223 -0.059 0.000 2.357 163 L HA 0.474 4.814 4.340 0.001 0.000 0.273 163 L C -1.849 175.027 176.870 0.009 0.000 1.080 163 L CA -1.820 52.997 54.840 -0.038 0.000 0.803 163 L CB 1.603 43.632 42.059 -0.050 0.000 1.174 163 L HN 0.445 nan 8.230 nan 0.000 0.443 164 P HA 0.173 nan 4.420 nan 0.000 0.271 164 P C -0.316 177.001 177.300 0.029 0.000 1.233 164 P CA 0.240 63.353 63.100 0.020 0.000 0.764 164 P CB 1.429 33.135 31.700 0.009 0.000 0.825 165 G N 2.421 111.247 108.800 0.044 0.000 2.947 165 G HA2 0.459 4.419 3.960 0.001 0.000 0.115 165 G HA3 0.459 4.419 3.960 0.001 0.000 0.115 165 G C -1.340 173.597 174.900 0.061 0.000 1.214 165 G CA -0.329 44.801 45.100 0.050 0.000 1.324 165 G HN 0.626 nan 8.290 nan 0.000 0.645 166 K N 0.775 121.221 120.400 0.077 0.000 2.582 166 K HA 0.530 4.850 4.320 0.001 0.000 0.259 166 K C -1.161 175.505 176.600 0.110 0.000 0.973 166 K CA 0.174 56.511 56.287 0.083 0.000 0.880 166 K CB 1.058 33.595 32.500 0.061 0.000 1.310 166 K HN 0.911 nan 8.250 nan 0.000 0.443 167 T N 0.649 115.289 114.554 0.143 0.000 2.801 167 T HA 0.709 5.059 4.350 0.001 0.000 0.306 167 T C -0.498 174.310 174.700 0.181 0.000 1.020 167 T CA -0.581 61.633 62.100 0.190 0.000 0.948 167 T CB 0.974 69.981 68.868 0.233 0.000 0.962 167 T HN 0.282 nan 8.240 nan 0.000 0.465 168 S N 3.132 118.911 115.700 0.131 0.000 2.513 168 S HA 0.889 5.360 4.470 0.001 0.000 0.299 168 S C -0.812 173.843 174.600 0.092 0.000 1.087 168 S CA -0.834 57.329 58.200 -0.060 0.000 1.012 168 S CB 0.805 63.959 63.200 -0.076 0.000 1.044 168 S HN 0.827 nan 8.310 nan 0.000 0.485 169 F N -0.237 119.635 119.950 -0.129 0.000 2.869 169 F HA 0.777 5.305 4.527 0.001 0.000 0.325 169 F C -0.904 174.891 175.800 -0.008 0.000 1.184 169 F CA -1.161 56.861 58.000 0.036 0.000 0.951 169 F CB 1.165 40.246 39.000 0.135 0.000 1.421 169 F HN 0.496 nan 8.300 nan 0.000 0.501 170 E N 1.064 121.532 120.200 0.446 0.000 2.216 170 E HA 0.262 4.613 4.350 0.001 0.000 0.260 170 E C -2.048 174.800 176.600 0.413 0.000 0.880 170 E CA -0.656 55.931 56.400 0.313 0.000 0.765 170 E CB 1.443 31.323 29.700 0.301 0.000 1.174 170 E HN 0.705 nan 8.360 nan 0.000 0.417 171 D N 3.458 124.059 120.400 0.335 0.000 2.210 171 D HA 0.117 4.758 4.640 0.001 0.000 0.249 171 D C 0.717 177.122 176.300 0.174 0.000 1.078 171 D CA -0.456 53.744 54.000 0.333 0.000 0.875 171 D CB 1.184 42.184 40.800 0.333 0.000 1.175 171 D HN 0.397 nan 8.370 nan 0.000 0.440 172 L N 3.209 124.502 121.223 0.117 0.000 2.633 172 L HA 0.069 4.409 4.340 0.001 0.000 0.235 172 L C 1.501 178.395 176.870 0.041 0.000 1.163 172 L CA 0.906 55.778 54.840 0.053 0.000 0.859 172 L CB -0.662 41.389 42.059 -0.013 0.000 0.973 172 L HN 0.609 nan 8.230 nan 0.000 0.451 173 L N -1.912 119.348 121.223 0.060 0.000 2.641 173 L HA 0.127 4.467 4.340 0.001 0.000 0.207 173 L C 1.639 178.535 176.870 0.043 0.000 1.049 173 L CA 0.171 55.039 54.840 0.046 0.000 0.866 173 L CB 0.237 42.322 42.059 0.044 0.000 1.264 173 L HN -0.006 nan 8.230 nan 0.000 0.483 174 K N 0.716 121.146 120.400 0.051 0.000 2.458 174 K HA 0.236 4.556 4.320 0.001 0.000 0.194 174 K C 0.844 177.445 176.600 0.002 0.000 1.024 174 K CA 0.476 56.772 56.287 0.015 0.000 1.108 174 K CB 0.345 32.838 32.500 -0.011 0.000 0.846 174 K HN 0.503 nan 8.250 nan 0.000 0.518 175 G N 1.623 110.444 108.800 0.035 0.000 2.527 175 G HA2 -0.362 3.598 3.960 0.001 0.000 0.268 175 G HA3 -0.362 3.598 3.960 0.001 0.000 0.268 175 G C -0.808 174.129 174.900 0.060 0.000 1.175 175 G CA -0.081 45.049 45.100 0.051 0.000 0.962 175 G HN 0.290 nan 8.290 nan 0.000 0.560 176 Y N 2.161 122.402 120.300 -0.100 0.000 2.316 176 Y HA 0.691 5.241 4.550 0.000 0.000 0.331 176 Y C 0.574 176.288 175.900 -0.309 0.000 1.083 176 Y CA -0.751 57.250 58.100 -0.165 0.000 1.206 176 Y CB 0.642 39.025 38.460 -0.129 0.000 1.195 176 Y HN 0.508 nan 8.280 nan 0.000 0.497 177 M N 5.841 124.765 119.600 -1.126 0.000 2.456 177 M HA 0.326 4.806 4.480 0.001 0.000 0.324 177 M C -1.063 174.390 176.300 -1.412 0.000 1.124 177 M CA -0.617 53.918 55.300 -1.274 0.000 0.959 177 M CB 1.917 33.524 32.600 -1.655 0.000 1.692 177 M HN 0.782 nan 8.290 nan 0.000 0.444 178 E N 1.812 121.311 120.200 -1.169 0.000 2.308 178 E HA 0.737 5.087 4.350 0.001 0.000 0.275 178 E C -2.003 174.055 176.600 -0.903 0.000 0.890 178 E CA -0.610 55.318 56.400 -0.787 0.000 0.754 178 E CB 2.011 31.427 29.700 -0.474 0.000 1.207 178 E HN 0.401 nan 8.360 nan 0.000 0.426 179 F N 1.447 121.319 119.950 -0.130 0.000 2.573 179 F HA 0.266 4.794 4.527 0.001 0.000 0.316 179 F C -0.636 175.154 175.800 -0.017 0.000 1.148 179 F CA -0.968 56.997 58.000 -0.059 0.000 0.940 179 F CB 2.102 41.088 39.000 -0.024 0.000 1.214 179 F HN 0.478 nan 8.300 nan 0.000 0.448 180 D N 2.058 122.548 120.400 0.150 0.000 2.295 180 D HA 0.158 4.799 4.640 0.001 0.000 0.248 180 D C 0.764 177.130 176.300 0.110 0.000 1.154 180 D CA 0.027 54.087 54.000 0.100 0.000 0.857 180 D CB 0.856 41.690 40.800 0.056 0.000 1.117 180 D HN 0.482 nan 8.370 nan 0.000 0.468 181 N N 1.420 120.180 118.700 0.100 0.000 2.503 181 N HA -0.155 4.586 4.740 0.001 0.000 0.189 181 N C 1.476 177.028 175.510 0.070 0.000 1.048 181 N CA 0.631 53.735 53.050 0.091 0.000 0.905 181 N CB 0.126 38.666 38.487 0.089 0.000 0.951 181 N HN 0.235 nan 8.380 nan 0.000 0.446 182 S N -0.127 115.609 115.700 0.060 0.000 2.378 182 S HA -0.161 4.310 4.470 0.001 0.000 0.221 182 S C 1.582 176.209 174.600 0.045 0.000 1.037 182 S CA 1.795 60.022 58.200 0.045 0.000 1.069 182 S CB -0.911 62.311 63.200 0.037 0.000 1.006 182 S HN 0.649 nan 8.310 nan 0.000 0.423 183 T N 0.252 114.836 114.554 0.050 0.000 3.792 183 T HA 0.449 4.800 4.350 0.001 0.000 0.233 183 T C -0.323 174.401 174.700 0.039 0.000 0.860 183 T CA -0.087 62.038 62.100 0.043 0.000 0.915 183 T CB -0.580 68.316 68.868 0.047 0.000 1.216 183 T HN 0.118 nan 8.240 nan 0.000 0.664 184 L N 0.786 122.036 121.223 0.045 0.000 2.564 184 L HA 0.437 4.778 4.340 0.001 0.000 0.259 184 L C -0.866 176.051 176.870 0.078 0.000 1.101 184 L CA -0.353 54.511 54.840 0.040 0.000 0.900 184 L CB 1.301 43.379 42.059 0.031 0.000 1.110 184 L HN 0.075 nan 8.230 nan 0.000 0.468 185 E N 0.924 121.174 120.200 0.083 0.000 2.351 185 E HA 0.202 4.552 4.350 0.001 0.000 0.255 185 E C -0.525 176.198 176.600 0.204 0.000 1.188 185 E CA -0.477 55.991 56.400 0.113 0.000 0.940 185 E CB 0.602 30.353 29.700 0.085 0.000 1.094 185 E HN 0.494 nan 8.360 nan 0.000 0.474 186 D N 0.343 120.859 120.400 0.193 0.000 2.443 186 D HA 0.107 4.748 4.640 0.001 0.000 0.234 186 D C -0.273 176.210 176.300 0.304 0.000 1.172 186 D CA 0.811 54.951 54.000 0.234 0.000 0.878 186 D CB -0.016 40.868 40.800 0.139 0.000 1.204 186 D HN 0.182 nan 8.370 nan 0.000 0.453 187 F N -1.229 118.747 119.950 0.044 0.000 2.599 187 F HA 0.561 5.088 4.527 0.001 0.000 0.311 187 F C -0.712 175.061 175.800 -0.045 0.000 1.076 187 F CA -1.552 56.455 58.000 0.012 0.000 0.937 187 F CB 0.471 39.492 39.000 0.034 0.000 1.282 187 F HN 0.111 nan 8.300 nan 0.000 0.460 188 I N 3.386 123.949 120.570 -0.012 0.000 2.588 188 I HA 0.183 4.353 4.170 0.001 0.000 0.283 188 I C 1.101 177.118 176.117 -0.166 0.000 1.119 188 I CA -0.123 61.089 61.300 -0.147 0.000 1.419 188 I CB 1.196 39.175 38.000 -0.035 0.000 1.394 188 I HN 0.877 nan 8.210 nan 0.000 0.562 189 I N 2.287 122.638 120.570 -0.366 0.000 4.124 189 I HA 0.263 4.434 4.170 0.001 0.000 0.311 189 I C 0.188 176.113 176.117 -0.319 0.000 1.259 189 I CA 0.294 61.293 61.300 -0.502 0.000 1.315 189 I CB 0.571 37.791 38.000 -1.301 0.000 1.223 189 I HN 0.330 nan 8.210 nan 0.000 0.441 190 M N 3.088 122.535 119.600 -0.255 0.000 2.007 190 M HA 0.451 4.931 4.480 0.001 0.000 0.285 190 M C -0.664 175.624 176.300 -0.020 0.000 0.893 190 M CA -0.390 54.873 55.300 -0.062 0.000 0.925 190 M CB 1.579 34.145 32.600 -0.057 0.000 1.568 190 M HN 0.106 nan 8.290 nan 0.000 0.414 191 K N 0.368 120.799 120.400 0.050 0.000 2.188 191 K HA 0.097 4.417 4.320 0.001 0.000 0.246 191 K C 1.241 177.891 176.600 0.084 0.000 1.026 191 K CA 0.287 56.621 56.287 0.078 0.000 0.871 191 K CB 0.585 33.154 32.500 0.114 0.000 1.042 191 K HN 0.671 nan 8.250 nan 0.000 0.509 192 S N 0.189 115.955 115.700 0.111 0.000 2.442 192 S HA -0.166 4.305 4.470 0.001 0.000 0.236 192 S C 1.009 175.667 174.600 0.097 0.000 1.007 192 S CA 1.446 59.711 58.200 0.109 0.000 0.965 192 S CB -0.607 62.685 63.200 0.153 0.000 0.773 192 S HN 0.719 nan 8.310 nan 0.000 0.504 193 N N 0.926 119.702 118.700 0.126 0.000 2.375 193 N HA 0.412 5.152 4.740 0.001 0.000 0.220 193 N C 1.204 176.747 175.510 0.055 0.000 1.170 193 N CA 0.383 53.523 53.050 0.149 0.000 0.833 193 N CB -0.148 38.505 38.487 0.276 0.000 1.069 193 N HN 0.407 nan 8.380 nan 0.000 0.479 194 G N 0.013 108.820 108.800 0.012 0.000 2.855 194 G HA2 -0.375 3.585 3.960 0.001 0.000 0.231 194 G HA3 -0.375 3.585 3.960 0.001 0.000 0.231 194 G C 0.094 174.974 174.900 -0.033 0.000 1.242 194 G CA 0.429 45.485 45.100 -0.073 0.000 0.789 194 G HN 0.356 nan 8.290 nan 0.000 0.517 195 F N 4.802 124.809 119.950 0.095 0.000 2.623 195 F HA 0.325 4.852 4.527 0.001 0.000 0.383 195 F C -0.423 175.414 175.800 0.062 0.000 1.077 195 F CA -0.571 57.479 58.000 0.083 0.000 1.268 195 F CB 0.208 39.241 39.000 0.056 0.000 1.053 195 F HN 0.143 nan 8.300 nan 0.000 0.571 196 P HA 0.200 nan 4.420 nan 0.000 0.282 196 P C -0.405 176.959 177.300 0.107 0.000 1.287 196 P CA -0.399 62.791 63.100 0.151 0.000 0.792 196 P CB 1.042 32.792 31.700 0.083 0.000 1.163 197 T N -3.468 111.169 114.554 0.139 0.000 2.884 197 T HA 0.181 4.532 4.350 0.001 0.000 0.277 197 T C 1.054 175.826 174.700 0.120 0.000 0.976 197 T CA -0.256 61.927 62.100 0.138 0.000 0.956 197 T CB 0.028 69.000 68.868 0.174 0.000 1.113 197 T HN 0.422 nan 8.240 nan 0.000 0.554 198 Y N 1.190 121.514 120.300 0.040 0.000 2.163 198 Y HA -0.029 4.521 4.550 0.001 0.000 0.288 198 Y C 2.160 178.067 175.900 0.011 0.000 1.136 198 Y CA 1.805 59.904 58.100 -0.001 0.000 1.147 198 Y CB -0.663 37.797 38.460 -0.001 0.000 0.987 198 Y HN 0.718 nan 8.280 nan 0.000 0.509 199 N N -0.865 117.806 118.700 -0.047 0.000 2.609 199 N HA -0.104 4.636 4.740 0.001 0.000 0.190 199 N C 0.799 176.330 175.510 0.035 0.000 1.157 199 N CA 0.614 53.599 53.050 -0.108 0.000 0.918 199 N CB -0.099 38.399 38.487 0.018 0.000 0.978 199 N HN 0.351 nan 8.380 nan 0.000 0.448 200 F N 0.621 120.494 119.950 -0.127 0.000 2.532 200 F HA 0.397 4.924 4.527 0.001 0.000 0.278 200 F C 2.077 177.787 175.800 -0.151 0.000 0.975 200 F CA 0.087 58.025 58.000 -0.105 0.000 1.292 200 F CB -0.611 38.358 39.000 -0.052 0.000 1.112 200 F HN -0.117 nan 8.300 nan 0.000 0.703 201 A N 0.133 122.753 122.820 -0.332 0.000 1.972 201 A HA -0.083 4.237 4.320 0.001 0.000 0.219 201 A C 2.103 179.511 177.584 -0.293 0.000 1.169 201 A CA 2.096 53.775 52.037 -0.597 0.000 0.635 201 A CB -1.293 17.262 19.000 -0.743 0.000 0.810 201 A HN 0.267 nan 8.150 nan 0.000 0.446 202 V N -0.561 119.153 119.914 -0.333 0.000 2.453 202 V HA -0.172 3.948 4.120 0.001 0.000 0.247 202 V C 2.514 178.482 176.094 -0.211 0.000 1.048 202 V CA 1.670 63.793 62.300 -0.295 0.000 1.049 202 V CB -0.581 30.895 31.823 -0.579 0.000 0.672 202 V HN 0.365 nan 8.190 nan 0.000 0.457 203 V N -0.050 119.700 119.914 -0.274 0.000 2.343 203 V HA -0.213 3.907 4.120 0.001 0.000 0.247 203 V C 2.402 178.382 176.094 -0.190 0.000 1.051 203 V CA 1.897 64.019 62.300 -0.298 0.000 1.036 203 V CB -0.415 31.144 31.823 -0.441 0.000 0.654 203 V HN 0.416 nan 8.190 nan 0.000 0.451 204 V N 0.062 119.846 119.914 -0.216 0.000 2.244 204 V HA -0.227 3.893 4.120 0.001 0.000 0.244 204 V C 2.303 178.322 176.094 -0.124 0.000 1.042 204 V CA 2.173 64.347 62.300 -0.210 0.000 1.006 204 V CB -0.741 30.974 31.823 -0.180 0.000 0.641 204 V HN 0.543 nan 8.190 nan 0.000 0.446 205 D N 0.313 120.689 120.400 -0.039 0.000 2.092 205 D HA -0.197 4.443 4.640 0.001 0.000 0.193 205 D C 1.823 178.080 176.300 -0.072 0.000 0.994 205 D CA 1.678 55.657 54.000 -0.034 0.000 0.828 205 D CB -0.447 40.371 40.800 0.031 0.000 0.963 205 D HN 0.420 nan 8.370 nan 0.000 0.450 206 D N -0.542 119.840 120.400 -0.030 0.000 2.354 206 D HA -0.142 4.498 4.640 0.001 0.000 0.216 206 D C 1.752 178.031 176.300 -0.034 0.000 0.970 206 D CA 0.794 54.788 54.000 -0.010 0.000 0.905 206 D CB 0.076 40.921 40.800 0.075 0.000 0.903 206 D HN 0.398 nan 8.370 nan 0.000 0.508 207 H N 0.367 119.322 119.070 -0.192 0.000 2.337 207 H HA 0.135 4.691 4.556 0.001 0.000 0.311 207 H C 2.213 177.283 175.328 -0.430 0.000 1.054 207 H CA 0.712 56.546 56.048 -0.358 0.000 1.385 207 H CB -0.353 28.996 29.762 -0.689 0.000 1.437 207 H HN -0.066 nan 8.280 nan 0.000 0.553 208 L N -0.069 120.836 121.223 -0.529 0.000 2.046 208 L HA -0.155 4.185 4.340 0.001 0.000 0.208 208 L C 2.296 178.912 176.870 -0.423 0.000 1.077 208 L CA 1.507 56.072 54.840 -0.458 0.000 0.747 208 L CB -0.437 41.486 42.059 -0.228 0.000 0.896 208 L HN 0.364 nan 8.230 nan 0.000 0.432 209 M N -0.650 118.693 119.600 -0.427 0.000 2.686 209 M HA -0.012 4.469 4.480 0.001 0.000 0.246 209 M C 0.015 175.729 176.300 -0.976 0.000 1.096 209 M CA 0.515 55.398 55.300 -0.696 0.000 1.076 209 M CB -0.058 32.372 32.600 -0.284 0.000 1.504 209 M HN 0.112 nan 8.290 nan 0.000 0.524 210 R N 1.331 121.430 120.500 -0.667 0.000 3.146 210 R HA -0.136 4.204 4.340 0.001 0.000 0.250 210 R C -1.092 175.015 176.300 -0.322 0.000 0.912 210 R CA 0.076 55.879 56.100 -0.495 0.000 0.633 210 R CB -2.017 27.976 30.300 -0.512 0.000 1.180 210 R HN 0.268 nan 8.270 nan 0.000 0.464 211 I N 1.731 122.174 120.570 -0.212 0.000 2.322 211 I HA -0.015 4.155 4.170 0.001 0.000 0.292 211 I C 1.980 178.056 176.117 -0.068 0.000 1.060 211 I CA 0.466 61.712 61.300 -0.089 0.000 1.309 211 I CB 1.037 39.021 38.000 -0.027 0.000 1.415 211 I HN 0.365 nan 8.210 nan 0.000 0.492 212 S N 5.407 121.106 115.700 -0.003 0.000 2.414 212 S HA -0.012 4.459 4.470 0.001 0.000 0.227 212 S C 0.477 174.972 174.600 -0.175 0.000 1.022 212 S CA 0.535 58.701 58.200 -0.056 0.000 0.958 212 S CB -0.137 63.111 63.200 0.079 0.000 0.797 212 S HN 0.677 nan 8.310 nan 0.000 0.493 213 H N -0.054 119.078 119.070 0.103 0.000 2.547 213 H HA 0.669 5.226 4.556 0.001 0.000 0.342 213 H C -1.357 174.160 175.328 0.315 0.000 1.048 213 H CA -0.743 55.467 56.048 0.270 0.000 1.204 213 H CB 1.817 31.888 29.762 0.515 0.000 1.493 213 H HN 0.018 nan 8.280 nan 0.000 0.511 214 V N 4.771 124.894 119.914 0.349 0.000 2.275 214 V HA 0.198 4.318 4.120 0.001 0.000 0.272 214 V C -0.883 175.465 176.094 0.425 0.000 1.028 214 V CA -0.559 61.946 62.300 0.340 0.000 0.810 214 V CB -0.421 31.515 31.823 0.189 0.000 1.043 214 V HN 0.560 nan 8.190 nan 0.000 0.453 215 F N 5.741 125.822 119.950 0.219 0.000 2.303 215 F HA 0.633 5.160 4.527 0.001 0.000 0.368 215 F C 0.837 176.783 175.800 0.243 0.000 1.105 215 F CA -0.857 57.285 58.000 0.237 0.000 1.153 215 F CB 0.622 39.834 39.000 0.353 0.000 1.362 215 F HN 0.487 nan 8.300 nan 0.000 0.511 216 R N 0.551 121.190 120.500 0.231 0.000 3.150 216 R HA 0.898 5.238 4.340 0.001 0.000 0.236 216 R C 0.187 176.588 176.300 0.169 0.000 1.469 216 R CA -1.208 55.030 56.100 0.230 0.000 1.045 216 R CB 0.230 30.644 30.300 0.190 0.000 1.481 216 R HN 0.512 nan 8.270 nan 0.000 0.506 217 G N -0.560 108.373 108.800 0.222 0.000 2.634 217 G HA2 0.015 3.975 3.960 0.001 0.000 0.255 217 G HA3 0.015 3.975 3.960 0.001 0.000 0.255 217 G C 0.080 175.101 174.900 0.200 0.000 1.205 217 G CA -0.371 44.838 45.100 0.182 0.000 0.884 217 G HN 0.815 nan 8.290 nan 0.000 0.549 218 E N -0.307 119.988 120.200 0.159 0.000 2.285 218 E HA -0.128 4.222 4.350 0.001 0.000 0.194 218 E C 1.648 178.303 176.600 0.091 0.000 0.997 218 E CA 0.973 57.478 56.400 0.175 0.000 0.845 218 E CB 0.040 29.798 29.700 0.097 0.000 0.782 218 E HN 0.634 nan 8.360 nan 0.000 0.491 219 D N -0.088 120.304 120.400 -0.014 0.000 2.351 219 D HA -0.215 4.425 4.640 0.001 0.000 0.216 219 D C 0.770 176.903 176.300 -0.278 0.000 0.968 219 D CA 0.916 54.811 54.000 -0.174 0.000 0.899 219 D CB -0.316 40.314 40.800 -0.283 0.000 0.907 219 D HN 0.364 nan 8.370 nan 0.000 0.514 220 H N -0.344 118.760 119.070 0.058 0.000 2.487 220 H HA 0.175 4.731 4.556 0.001 0.000 0.290 220 H C 1.543 176.938 175.328 0.111 0.000 1.081 220 H CA -0.383 55.698 56.048 0.054 0.000 1.116 220 H CB 0.730 30.537 29.762 0.075 0.000 1.560 220 H HN 0.119 nan 8.280 nan 0.000 0.548 221 L N 0.576 121.887 121.223 0.147 0.000 2.027 221 L HA -0.064 4.277 4.340 0.001 0.000 0.206 221 L C 1.829 178.614 176.870 -0.142 0.000 1.074 221 L CA 1.641 56.443 54.840 -0.064 0.000 0.745 221 L CB -0.309 41.679 42.059 -0.119 0.000 0.898 221 L HN -0.045 nan 8.230 nan 0.000 0.433 222 S N -0.106 115.483 115.700 -0.185 0.000 2.555 222 S HA -0.032 4.439 4.470 0.001 0.000 0.230 222 S C 1.412 175.790 174.600 -0.368 0.000 0.978 222 S CA 0.868 58.822 58.200 -0.410 0.000 0.934 222 S CB -0.586 62.465 63.200 -0.249 0.000 0.766 222 S HN 0.558 nan 8.310 nan 0.000 0.533 223 N N 0.938 119.532 118.700 -0.177 0.000 2.424 223 N HA 0.034 4.774 4.740 0.001 0.000 0.178 223 N C 1.546 176.948 175.510 -0.180 0.000 1.060 223 N CA 0.735 53.717 53.050 -0.114 0.000 0.901 223 N CB -0.403 38.167 38.487 0.138 0.000 0.979 223 N HN 0.189 nan 8.380 nan 0.000 0.451 224 T N 1.288 115.697 114.554 -0.241 0.000 2.684 224 T HA -0.093 4.257 4.350 0.001 0.000 0.267 224 T C -0.799 173.740 174.700 -0.270 0.000 1.036 224 T CA 1.236 63.100 62.100 -0.392 0.000 1.148 224 T CB -1.093 67.375 68.868 -0.666 0.000 0.863 224 T HN 0.230 nan 8.240 nan 0.000 0.436 225 P HA -0.102 nan 4.420 nan 0.000 0.214 225 P C 1.378 178.625 177.300 -0.088 0.000 1.163 225 P CA 1.336 64.379 63.100 -0.095 0.000 0.889 225 P CB -0.057 31.508 31.700 -0.226 0.000 0.790 226 K N -0.602 119.663 120.400 -0.226 0.000 2.211 226 K HA -0.190 4.131 4.320 0.001 0.000 0.204 226 K C 2.170 178.666 176.600 -0.174 0.000 1.047 226 K CA 1.378 57.453 56.287 -0.353 0.000 0.935 226 K CB -0.307 31.694 32.500 -0.831 0.000 0.728 226 K HN 0.345 nan 8.250 nan 0.000 0.452 227 Q N 0.139 119.859 119.800 -0.134 0.000 2.302 227 Q HA 0.060 4.400 4.340 0.001 0.000 0.202 227 Q C 1.994 178.032 176.000 0.064 0.000 0.936 227 Q CA 0.430 56.189 55.803 -0.074 0.000 0.886 227 Q CB 0.182 28.879 28.738 -0.068 0.000 0.986 227 Q HN 0.277 nan 8.270 nan 0.000 0.487 228 L N 0.071 121.363 121.223 0.114 0.000 2.201 228 L HA -0.103 4.237 4.340 0.001 0.000 0.212 228 L C 2.309 179.299 176.870 0.199 0.000 1.105 228 L CA 0.876 55.861 54.840 0.243 0.000 0.775 228 L CB -0.288 41.884 42.059 0.189 0.000 0.913 228 L HN 0.320 nan 8.230 nan 0.000 0.440 229 M N -0.485 119.193 119.600 0.130 0.000 2.132 229 M HA -0.170 4.311 4.480 0.001 0.000 0.263 229 M C 2.266 178.545 176.300 -0.035 0.000 1.065 229 M CA 1.765 57.164 55.300 0.164 0.000 1.122 229 M CB -0.319 32.513 32.600 0.386 0.000 1.365 229 M HN 0.180 nan 8.290 nan 0.000 0.411 230 I N -1.043 119.340 120.570 -0.311 0.000 2.286 230 I HA -0.278 3.892 4.170 0.001 0.000 0.248 230 I C 2.222 178.158 176.117 -0.301 0.000 1.115 230 I CA 1.356 62.339 61.300 -0.527 0.000 1.392 230 I CB -0.520 37.221 38.000 -0.432 0.000 1.065 230 I HN 0.167 nan 8.210 nan 0.000 0.418 231 Y N 1.525 121.771 120.300 -0.089 0.000 2.114 231 Y HA -0.216 4.335 4.550 0.001 0.000 0.284 231 Y C 2.579 178.388 175.900 -0.152 0.000 1.143 231 Y CA 1.410 59.472 58.100 -0.063 0.000 1.135 231 Y CB -0.572 37.957 38.460 0.116 0.000 0.980 231 Y HN 0.176 nan 8.280 nan 0.000 0.499 232 E N -0.630 119.642 120.200 0.120 0.000 2.265 232 E HA -0.145 4.205 4.350 0.001 0.000 0.196 232 E C 2.061 178.635 176.600 -0.043 0.000 0.996 232 E CA 0.765 57.200 56.400 0.058 0.000 0.832 232 E CB -0.215 29.547 29.700 0.103 0.000 0.756 232 E HN 0.429 nan 8.360 nan 0.000 0.491 233 A N -0.178 122.561 122.820 -0.135 0.000 2.169 233 A HA 0.010 4.330 4.320 0.001 0.000 0.212 233 A C 1.268 178.537 177.584 -0.526 0.000 1.153 233 A CA 0.527 52.415 52.037 -0.249 0.000 0.756 233 A CB 0.014 18.904 19.000 -0.183 0.000 0.813 233 A HN 0.137 nan 8.150 nan 0.000 0.471 234 F N -1.529 118.105 119.950 -0.527 0.000 2.746 234 F HA 0.362 4.889 4.527 0.001 0.000 0.313 234 F C 1.672 177.019 175.800 -0.756 0.000 1.095 234 F CA 0.086 57.540 58.000 -0.910 0.000 1.224 234 F CB 0.463 38.141 39.000 -2.203 0.000 1.060 234 F HN 0.297 nan 8.300 nan 0.000 0.584 235 G N -0.206 108.437 108.800 -0.260 0.000 2.149 235 G HA2 -0.244 3.716 3.960 0.001 0.000 0.235 235 G HA3 -0.244 3.716 3.960 0.001 0.000 0.235 235 G C -0.390 174.626 174.900 0.192 0.000 1.018 235 G CA -0.330 44.765 45.100 -0.008 0.000 0.728 235 G HN 0.103 nan 8.290 nan 0.000 0.508 236 W N 0.233 121.616 121.300 0.138 0.000 2.570 236 W HA 0.660 5.320 4.660 0.001 0.000 0.337 236 W C 0.367 176.878 176.519 -0.014 0.000 1.067 236 W CA -2.102 55.289 57.345 0.076 0.000 1.229 236 W CB 0.835 30.330 29.460 0.058 0.000 1.355 236 W HN 0.278 nan 8.180 nan 0.000 0.555 237 E N 1.793 122.076 120.200 0.138 0.000 2.152 237 E HA 0.461 4.811 4.350 0.001 0.000 0.285 237 E C 0.053 176.489 176.600 -0.273 0.000 1.043 237 E CA -0.339 56.043 56.400 -0.031 0.000 0.839 237 E CB 0.813 30.509 29.700 -0.006 0.000 1.069 237 E HN 0.455 nan 8.360 nan 0.000 0.399 238 A N 6.465 129.055 122.820 -0.383 0.000 2.565 238 A HA 0.150 4.471 4.320 0.001 0.000 0.237 238 A C -1.934 175.327 177.584 -0.538 0.000 1.053 238 A CA -0.918 50.752 52.037 -0.612 0.000 0.755 238 A CB -0.230 18.682 19.000 -0.147 0.000 0.980 238 A HN 0.594 nan 8.150 nan 0.000 0.506 239 P HA 0.171 nan 4.420 nan 0.000 0.274 239 P C -0.344 176.467 177.300 -0.814 0.000 1.256 239 P CA -0.410 62.310 63.100 -0.632 0.000 0.795 239 P CB 0.412 31.814 31.700 -0.497 0.000 1.038 240 V N 1.556 121.147 119.914 -0.538 0.000 2.434 240 V HA -0.059 4.062 4.120 0.001 0.000 0.281 240 V C 0.404 176.298 176.094 -0.333 0.000 1.005 240 V CA 0.747 62.837 62.300 -0.351 0.000 1.089 240 V CB -1.800 29.879 31.823 -0.240 0.000 0.978 240 V HN 0.272 nan 8.190 nan 0.000 0.474 241 F N 5.689 125.592 119.950 -0.078 0.000 2.394 241 F HA 0.669 5.196 4.527 0.001 0.000 0.340 241 F C 0.242 175.915 175.800 -0.213 0.000 1.105 241 F CA -0.786 57.133 58.000 -0.134 0.000 1.124 241 F CB 1.577 40.526 39.000 -0.086 0.000 1.145 241 F HN 0.423 nan 8.300 nan 0.000 0.505 242 M N 4.150 123.610 119.600 -0.232 0.000 2.183 242 M HA 0.383 4.863 4.480 0.001 0.000 0.277 242 M C -1.991 174.160 176.300 -0.249 0.000 0.995 242 M CA -0.483 54.581 55.300 -0.394 0.000 0.969 242 M CB 0.811 32.595 32.600 -1.361 0.000 1.659 242 M HN 0.490 nan 8.290 nan 0.000 0.462 243 H N 5.020 124.072 119.070 -0.030 0.000 2.488 243 H HA 0.612 5.168 4.556 0.001 0.000 0.322 243 H C -0.754 174.562 175.328 -0.021 0.000 1.078 243 H CA -0.221 55.842 56.048 0.024 0.000 1.260 243 H CB 0.964 30.762 29.762 0.059 0.000 1.425 243 H HN 0.673 nan 8.280 nan 0.000 0.471 244 I N 5.322 125.926 120.570 0.056 0.000 2.331 244 I HA 0.232 4.402 4.170 0.001 0.000 0.292 244 I C -2.171 173.961 176.117 0.026 0.000 0.998 244 I CA -2.242 59.033 61.300 -0.043 0.000 1.267 244 I CB 1.491 39.412 38.000 -0.131 0.000 1.386 244 I HN 0.357 nan 8.210 nan 0.000 0.476 245 P HA 0.051 nan 4.420 nan 0.000 0.263 245 P C -0.371 176.954 177.300 0.042 0.000 1.195 245 P CA 0.078 63.198 63.100 0.033 0.000 0.762 245 P CB 0.304 32.018 31.700 0.024 0.000 0.799 246 L N 3.796 125.052 121.223 0.055 0.000 2.483 246 L HA 0.082 4.422 4.340 0.001 0.000 0.275 246 L C 0.951 177.867 176.870 0.078 0.000 1.220 246 L CA 0.023 54.907 54.840 0.074 0.000 0.833 246 L CB -0.103 41.993 42.059 0.061 0.000 1.102 246 L HN 0.290 nan 8.230 nan 0.000 0.490 247 I N 3.617 124.252 120.570 0.109 0.000 2.308 247 I HA 0.114 4.284 4.170 0.001 0.000 0.293 247 I C 0.368 176.557 176.117 0.119 0.000 1.078 247 I CA -0.227 61.136 61.300 0.105 0.000 1.292 247 I CB 0.236 38.294 38.000 0.097 0.000 1.423 247 I HN 0.388 nan 8.210 nan 0.000 0.493 248 L N 5.350 126.626 121.223 0.087 0.000 2.499 248 L HA 0.078 4.418 4.340 0.001 0.000 0.281 248 L C 1.505 178.419 176.870 0.074 0.000 1.234 248 L CA 0.183 55.070 54.840 0.078 0.000 0.839 248 L CB 0.238 42.334 42.059 0.062 0.000 1.104 248 L HN 0.724 nan 8.230 nan 0.000 0.500 249 G N -0.243 108.588 108.800 0.052 0.000 2.618 249 G HA2 -0.007 3.953 3.960 0.001 0.000 0.222 249 G HA3 -0.007 3.953 3.960 0.001 0.000 0.222 249 G C 1.199 176.089 174.900 -0.018 0.000 1.520 249 G CA 0.846 45.909 45.100 -0.063 0.000 0.930 249 G HN 0.601 nan 8.290 nan 0.000 0.547 250 S N 0.317 116.089 115.700 0.119 0.000 3.066 250 S HA 0.040 4.510 4.470 0.001 0.000 0.235 250 S C 0.619 175.300 174.600 0.135 0.000 0.995 250 S CA 0.899 59.195 58.200 0.161 0.000 0.835 250 S CB -0.078 63.300 63.200 0.297 0.000 0.814 250 S HN 0.381 nan 8.310 nan 0.000 0.594 251 D N 1.805 122.298 120.400 0.156 0.000 3.134 251 D HA 0.263 4.903 4.640 0.001 0.000 0.248 251 D C 0.058 176.403 176.300 0.076 0.000 1.273 251 D CA -0.240 53.817 54.000 0.094 0.000 0.904 251 D CB -0.342 40.503 40.800 0.075 0.000 1.089 251 D HN 0.133 nan 8.370 nan 0.000 0.478 252 R N -0.803 119.740 120.500 0.071 0.000 3.847 252 R HA -0.157 4.183 4.340 0.001 0.000 0.304 252 R C -0.058 176.276 176.300 0.057 0.000 1.203 252 R CA 1.315 57.448 56.100 0.055 0.000 0.835 252 R CB -3.184 27.140 30.300 0.040 0.000 1.253 252 R HN 0.644 nan 8.270 nan 0.000 0.516 253 T N -2.802 111.799 114.554 0.079 0.000 2.855 253 T HA 0.592 4.942 4.350 0.001 0.000 0.281 253 T C -2.707 172.043 174.700 0.083 0.000 1.007 253 T CA -2.446 59.698 62.100 0.073 0.000 1.009 253 T CB 2.915 71.833 68.868 0.083 0.000 0.983 253 T HN -0.244 nan 8.240 nan 0.000 0.455 254 P HA 0.050 nan 4.420 nan 0.000 0.255 254 P C 0.028 177.364 177.300 0.060 0.000 1.173 254 P CA -0.373 62.758 63.100 0.052 0.000 0.780 254 P CB -0.068 31.637 31.700 0.008 0.000 0.758 255 L N 4.489 125.771 121.223 0.099 0.000 2.529 255 L HA 0.175 4.516 4.340 0.001 0.000 0.287 255 L C 0.431 177.268 176.870 -0.056 0.000 1.241 255 L CA 1.400 56.292 54.840 0.087 0.000 0.857 255 L CB -0.164 42.008 42.059 0.189 0.000 1.113 255 L HN 0.586 nan 8.230 nan 0.000 0.504 256 S N 2.547 118.231 115.700 -0.027 0.000 2.661 256 S HA 0.325 4.795 4.470 0.001 0.000 0.268 256 S C -0.188 174.423 174.600 0.018 0.000 1.162 256 S CA -0.791 57.307 58.200 -0.170 0.000 0.817 256 S CB 0.775 63.898 63.200 -0.128 0.000 1.141 256 S HN 0.630 nan 8.310 nan 0.000 0.477 257 K N 0.298 120.683 120.400 -0.026 0.000 2.836 257 K HA 0.164 4.484 4.320 0.001 0.000 0.236 257 K C 1.516 178.123 176.600 0.013 0.000 1.015 257 K CA -0.076 56.206 56.287 -0.008 0.000 1.194 257 K CB -0.183 32.295 32.500 -0.037 0.000 1.002 257 K HN 0.576 nan 8.250 nan 0.000 0.479 258 R N -0.920 119.629 120.500 0.081 0.000 2.087 258 R HA -0.041 4.300 4.340 0.001 0.000 0.216 258 R C 1.195 177.514 176.300 0.031 0.000 1.114 258 R CA 0.863 56.984 56.100 0.035 0.000 1.002 258 R CB -0.009 30.289 30.300 -0.003 0.000 0.903 258 R HN 0.353 nan 8.270 nan 0.000 0.445 259 H N -1.229 117.836 119.070 -0.008 0.000 2.421 259 H HA 0.054 4.610 4.556 0.000 0.000 0.298 259 H C 1.393 176.711 175.328 -0.015 0.000 1.087 259 H CA 1.613 57.667 56.048 0.011 0.000 1.330 259 H CB 0.189 29.985 29.762 0.056 0.000 1.388 259 H HN 0.529 nan 8.280 nan 0.000 0.526 260 G N -2.728 106.118 108.800 0.076 0.000 4.314 260 G HA2 0.369 4.330 3.960 0.001 0.000 0.166 260 G HA3 0.369 4.330 3.960 0.001 0.000 0.166 260 G C 0.194 175.030 174.900 -0.106 0.000 1.213 260 G CA 0.229 45.310 45.100 -0.031 0.000 1.027 260 G HN 0.542 nan 8.290 nan 0.000 0.352 261 A N 0.499 123.204 122.820 -0.192 0.000 2.346 261 A HA 0.447 4.767 4.320 0.001 0.000 0.221 261 A C 0.426 177.812 177.584 -0.330 0.000 2.692 261 A CA 0.948 52.829 52.037 -0.260 0.000 1.734 261 A CB -1.257 17.566 19.000 -0.296 0.000 0.465 261 A HN 1.554 nan 8.150 nan 0.000 0.705 262 T N 0.898 115.312 114.554 -0.234 0.000 2.708 262 T HA 0.432 4.782 4.350 0.001 0.000 0.257 262 T C 0.377 175.049 174.700 -0.047 0.000 1.002 262 T CA 1.011 63.004 62.100 -0.178 0.000 1.269 262 T CB -0.761 68.097 68.868 -0.016 0.000 0.966 262 T HN 1.748 nan 8.240 nan 0.000 0.534 263 S N 1.711 117.352 115.700 -0.099 0.000 2.643 263 S HA 0.460 4.930 4.470 0.001 0.000 0.270 263 S C 0.838 175.496 174.600 0.097 0.000 1.166 263 S CA -0.609 57.621 58.200 0.049 0.000 0.815 263 S CB 1.132 64.384 63.200 0.087 0.000 1.139 263 S HN 0.233 nan 8.310 nan 0.000 0.472 264 V N 1.004 121.028 119.914 0.185 0.000 2.392 264 V HA -0.133 3.988 4.120 0.001 0.000 0.249 264 V C 2.777 178.940 176.094 0.116 0.000 1.059 264 V CA 2.639 65.090 62.300 0.251 0.000 1.051 264 V CB -1.157 30.823 31.823 0.261 0.000 0.658 264 V HN 1.012 nan 8.190 nan 0.000 0.455 265 E N 0.163 120.399 120.200 0.059 0.000 2.153 265 E HA -0.262 4.089 4.350 0.001 0.000 0.194 265 E C 2.015 178.607 176.600 -0.014 0.000 0.988 265 E CA 1.642 58.042 56.400 -0.000 0.000 0.811 265 E CB -0.427 29.343 29.700 0.118 0.000 0.746 265 E HN 0.772 nan 8.360 nan 0.000 0.466 266 H N -0.916 118.038 119.070 -0.194 0.000 2.290 266 H HA -0.131 4.425 4.556 0.001 0.000 0.298 266 H C 1.272 176.411 175.328 -0.316 0.000 1.087 266 H CA 2.350 58.177 56.048 -0.368 0.000 1.291 266 H CB -0.392 28.959 29.762 -0.685 0.000 1.369 266 H HN 0.266 nan 8.280 nan 0.000 0.492 267 F N -0.249 119.740 119.950 0.065 0.000 2.615 267 F HA 0.178 4.705 4.527 0.000 0.000 0.297 267 F C 2.685 178.559 175.800 0.124 0.000 1.124 267 F CA 0.560 58.602 58.000 0.071 0.000 1.451 267 F CB -0.369 38.758 39.000 0.213 0.000 1.103 267 F HN 0.087 nan 8.300 nan 0.000 0.569 268 R N 0.638 121.232 120.500 0.157 0.000 2.070 268 R HA -0.145 4.195 4.340 0.001 0.000 0.233 268 R C 2.497 178.953 176.300 0.259 0.000 1.137 268 R CA 1.298 57.388 56.100 -0.018 0.000 0.945 268 R CB -0.191 29.738 30.300 -0.618 0.000 0.845 268 R HN 0.007 nan 8.270 nan 0.000 0.430 269 R N 0.694 121.310 120.500 0.194 0.000 2.189 269 R HA -0.054 4.286 4.340 0.001 0.000 0.218 269 R C 1.131 177.725 176.300 0.491 0.000 1.074 269 R CA 0.919 57.178 56.100 0.265 0.000 0.991 269 R CB -0.008 30.284 30.300 -0.014 0.000 0.883 269 R HN 0.283 nan 8.270 nan 0.000 0.457 270 E N -0.391 119.980 120.200 0.285 0.000 2.516 270 E HA 0.003 4.354 4.350 0.001 0.000 0.199 270 E C 0.609 177.302 176.600 0.155 0.000 1.069 270 E CA 0.758 57.283 56.400 0.208 0.000 0.876 270 E CB 0.018 29.769 29.700 0.084 0.000 0.843 270 E HN 0.522 nan 8.360 nan 0.000 0.530 271 G N 1.464 110.364 108.800 0.165 0.000 2.164 271 G HA2 -0.191 3.769 3.960 0.001 0.000 0.212 271 G HA3 -0.191 3.769 3.960 0.001 0.000 0.212 271 G C -0.029 174.839 174.900 -0.054 0.000 1.031 271 G CA -0.308 44.609 45.100 -0.304 0.000 0.730 271 G HN 0.116 nan 8.290 nan 0.000 0.501 272 I N 1.201 121.877 120.570 0.177 0.000 2.307 272 I HA 0.388 4.559 4.170 0.001 0.000 0.289 272 I C 1.054 177.326 176.117 0.258 0.000 1.021 272 I CA -1.201 60.219 61.300 0.201 0.000 1.224 272 I CB 0.727 38.905 38.000 0.297 0.000 1.376 272 I HN -0.031 nan 8.210 nan 0.000 0.470 273 L N 4.339 125.604 121.223 0.069 0.000 2.472 273 L HA -0.019 4.321 4.340 0.001 0.000 0.273 273 L C 1.820 178.566 176.870 -0.208 0.000 1.254 273 L CA 0.865 55.673 54.840 -0.054 0.000 0.823 273 L CB -0.120 41.847 42.059 -0.154 0.000 1.096 273 L HN 0.672 nan 8.230 nan 0.000 0.521 274 S N 0.099 115.511 115.700 -0.480 0.000 2.341 274 S HA -0.052 4.418 4.470 0.001 0.000 0.216 274 S C 1.869 176.242 174.600 -0.379 0.000 1.034 274 S CA 0.519 58.318 58.200 -0.668 0.000 0.964 274 S CB -0.081 62.584 63.200 -0.891 0.000 0.882 274 S HN 0.699 nan 8.310 nan 0.000 0.469 275 R N 1.739 122.023 120.500 -0.362 0.000 2.293 275 R HA 0.162 4.503 4.340 0.001 0.000 0.219 275 R C 1.824 177.958 176.300 -0.276 0.000 1.091 275 R CA 1.195 57.120 56.100 -0.291 0.000 1.004 275 R CB -1.211 28.898 30.300 -0.318 0.000 0.865 275 R HN 0.425 nan 8.270 nan 0.000 0.469 276 A N 1.623 124.272 122.820 -0.285 0.000 1.878 276 A HA 0.025 4.345 4.320 0.001 0.000 0.213 276 A C 2.173 179.748 177.584 -0.015 0.000 1.192 276 A CA 0.672 52.644 52.037 -0.108 0.000 0.619 276 A CB -0.382 18.579 19.000 -0.065 0.000 0.837 276 A HN 0.250 nan 8.150 nan 0.000 0.446 277 L N -0.685 120.531 121.223 -0.011 0.000 2.056 277 L HA -0.088 4.253 4.340 0.001 0.000 0.207 277 L C 2.061 178.991 176.870 0.101 0.000 1.078 277 L CA 1.955 56.845 54.840 0.083 0.000 0.749 277 L CB -0.492 41.650 42.059 0.139 0.000 0.901 277 L HN 0.273 nan 8.230 nan 0.000 0.433 278 M N -0.385 119.226 119.600 0.019 0.000 2.476 278 M HA -0.099 4.382 4.480 0.001 0.000 0.262 278 M C 1.941 178.294 176.300 0.089 0.000 1.079 278 M CA 0.825 56.147 55.300 0.036 0.000 1.104 278 M CB -1.807 30.768 32.600 -0.043 0.000 1.409 278 M HN 0.478 nan 8.290 nan 0.000 0.467 279 N N 0.442 119.173 118.700 0.051 0.000 2.109 279 N HA -0.202 4.538 4.740 0.001 0.000 0.188 279 N C 1.769 177.298 175.510 0.032 0.000 1.034 279 N CA 1.279 54.318 53.050 -0.018 0.000 0.846 279 N CB -0.260 38.158 38.487 -0.116 0.000 1.010 279 N HN 0.322 nan 8.380 nan 0.000 0.425 280 Y N 1.760 122.028 120.300 -0.054 0.000 2.293 280 Y HA 0.028 4.578 4.550 0.000 0.000 0.291 280 Y C 2.215 178.153 175.900 0.062 0.000 1.137 280 Y CA 1.035 59.119 58.100 -0.026 0.000 1.202 280 Y CB -0.377 38.058 38.460 -0.041 0.000 0.990 280 Y HN 0.065 nan 8.280 nan 0.000 0.537 281 L N -0.769 120.494 121.223 0.067 0.000 2.201 281 L HA -0.113 4.227 4.340 0.001 0.000 0.212 281 L C 2.424 179.359 176.870 0.109 0.000 1.105 281 L CA 1.072 55.933 54.840 0.036 0.000 0.775 281 L CB -0.740 41.382 42.059 0.104 0.000 0.913 281 L HN 0.276 nan 8.230 nan 0.000 0.440 282 A N -0.870 122.072 122.820 0.202 0.000 2.238 282 A HA 0.044 4.365 4.320 0.001 0.000 0.210 282 A C 1.982 179.729 177.584 0.272 0.000 1.179 282 A CA 0.288 52.550 52.037 0.375 0.000 0.827 282 A CB 0.000 19.316 19.000 0.527 0.000 0.856 282 A HN 0.285 nan 8.150 nan 0.000 0.488 283 L N -0.459 120.827 121.223 0.104 0.000 2.298 283 L HA 0.363 4.704 4.340 0.001 0.000 0.209 283 L C 0.857 177.660 176.870 -0.111 0.000 1.084 283 L CA 0.752 55.577 54.840 -0.025 0.000 0.816 283 L CB -0.336 41.731 42.059 0.014 0.000 0.967 283 L HN 0.300 nan 8.230 nan 0.000 0.460 284 L N -0.838 120.268 121.223 -0.196 0.000 2.472 284 L HA 0.207 4.547 4.340 0.001 0.000 0.273 284 L C 1.863 178.726 176.870 -0.011 0.000 1.254 284 L CA 0.554 55.275 54.840 -0.198 0.000 0.823 284 L CB -0.715 41.168 42.059 -0.294 0.000 1.096 284 L HN 0.455 nan 8.230 nan 0.000 0.521 285 G N 0.351 109.157 108.800 0.009 0.000 3.133 285 G HA2 -0.390 3.571 3.960 0.001 0.000 0.357 285 G HA3 -0.390 3.571 3.960 0.001 0.000 0.357 285 G C -0.197 174.800 174.900 0.161 0.000 1.229 285 G CA 0.796 45.948 45.100 0.087 0.000 1.018 285 G HN 0.871 nan 8.290 nan 0.000 0.635 286 W N 4.886 126.224 121.300 0.064 0.000 2.655 286 W HA 0.658 5.318 4.660 0.001 0.000 0.333 286 W C 0.658 177.237 176.519 0.100 0.000 1.382 286 W CA -0.684 56.713 57.345 0.087 0.000 1.398 286 W CB -0.065 29.472 29.460 0.129 0.000 1.481 286 W HN 0.527 nan 8.180 nan 0.000 0.526 287 R N 5.180 125.569 120.500 -0.186 0.000 2.410 287 R HA 0.409 4.749 4.340 0.001 0.000 0.288 287 R C -0.578 175.418 176.300 -0.508 0.000 1.051 287 R CA -0.603 55.318 56.100 -0.299 0.000 1.021 287 R CB 1.171 31.420 30.300 -0.085 0.000 1.032 287 R HN 0.454 nan 8.270 nan 0.000 0.481 288 V N 4.144 123.787 119.914 -0.452 0.000 2.763 288 V HA -0.024 4.096 4.120 0.001 0.000 0.306 288 V C 0.447 176.499 176.094 -0.070 0.000 1.059 288 V CA 0.685 62.798 62.300 -0.311 0.000 1.138 288 V CB 0.849 32.641 31.823 -0.053 0.000 0.940 288 V HN 0.986 nan 8.190 nan 0.000 0.489 289 E N 3.650 123.870 120.200 0.033 0.000 2.385 289 E HA 0.138 4.489 4.350 0.001 0.000 0.194 289 E C 1.276 177.912 176.600 0.059 0.000 1.013 289 E CA 0.745 57.189 56.400 0.074 0.000 0.866 289 E CB 0.535 30.311 29.700 0.126 0.000 0.832 289 E HN 0.928 nan 8.360 nan 0.000 0.500 290 G N 0.610 109.446 108.800 0.060 0.000 2.601 290 G HA2 0.012 3.972 3.960 0.001 0.000 0.214 290 G HA3 0.012 3.972 3.960 0.001 0.000 0.214 290 G C -0.279 174.662 174.900 0.069 0.000 2.067 290 G CA -0.156 44.981 45.100 0.063 0.000 0.774 290 G HN 0.013 nan 8.290 nan 0.000 0.729 291 D N -0.363 120.096 120.400 0.097 0.000 2.498 291 D HA 0.286 4.926 4.640 0.001 0.000 0.247 291 D C 0.516 176.914 176.300 0.163 0.000 1.070 291 D CA -0.350 53.712 54.000 0.103 0.000 0.842 291 D CB 2.563 43.408 40.800 0.076 0.000 1.361 291 D HN 0.323 nan 8.370 nan 0.000 0.484 292 E N 1.631 121.896 120.200 0.108 0.000 2.409 292 E HA -0.008 4.342 4.350 0.001 0.000 0.198 292 E C 0.361 176.814 176.600 -0.244 0.000 1.024 292 E CA 0.515 56.940 56.400 0.041 0.000 0.861 292 E CB 0.263 30.015 29.700 0.088 0.000 0.788 292 E HN 0.467 nan 8.360 nan 0.000 0.521 293 I N 2.182 122.659 120.570 -0.156 0.000 2.379 293 I HA 0.159 4.329 4.170 0.001 0.000 0.290 293 I C -0.232 175.839 176.117 -0.077 0.000 1.063 293 I CA -0.298 60.823 61.300 -0.298 0.000 1.351 293 I CB -0.178 37.669 38.000 -0.254 0.000 1.410 293 I HN -0.077 nan 8.210 nan 0.000 0.505 294 F N 2.753 122.682 119.950 -0.034 0.000 3.332 294 F HA 0.640 5.167 4.527 0.000 0.000 0.327 294 F C -1.204 174.662 175.800 0.109 0.000 1.128 294 F CA -1.019 57.004 58.000 0.039 0.000 0.854 294 F CB 1.026 40.048 39.000 0.037 0.000 1.500 294 F HN 0.063 nan 8.300 nan 0.000 0.485 295 T N 2.108 117.001 114.554 0.564 0.000 2.912 295 T HA 0.408 4.758 4.350 0.001 0.000 0.299 295 T C 0.871 175.784 174.700 0.354 0.000 1.052 295 T CA -0.526 61.785 62.100 0.351 0.000 0.996 295 T CB 1.914 70.876 68.868 0.157 0.000 1.070 295 T HN 0.628 nan 8.240 nan 0.000 0.465 296 I N 1.299 122.031 120.570 0.270 0.000 2.300 296 I HA -0.194 3.977 4.170 0.001 0.000 0.252 296 I C 2.232 178.428 176.117 0.132 0.000 1.119 296 I CA 1.725 63.148 61.300 0.205 0.000 1.384 296 I CB -0.722 37.375 38.000 0.161 0.000 1.062 296 I HN 0.835 nan 8.210 nan 0.000 0.426 297 E N 1.614 121.885 120.200 0.118 0.000 2.005 297 E HA -0.220 4.130 4.350 0.001 0.000 0.191 297 E C 1.742 178.368 176.600 0.042 0.000 0.987 297 E CA 1.120 57.561 56.400 0.068 0.000 0.814 297 E CB -0.133 29.603 29.700 0.059 0.000 0.772 297 E HN 0.655 nan 8.360 nan 0.000 0.453 298 E N -0.161 120.078 120.200 0.065 0.000 2.527 298 E HA -0.131 4.220 4.350 0.001 0.000 0.204 298 E C 0.257 176.879 176.600 0.036 0.000 1.132 298 E CA 0.502 56.934 56.400 0.053 0.000 0.905 298 E CB 0.114 29.860 29.700 0.077 0.000 0.875 298 E HN -0.013 nan 8.360 nan 0.000 0.548 299 K N 0.438 120.852 120.400 0.024 0.000 2.761 299 K HA 0.142 4.462 4.320 0.001 0.000 0.196 299 K C 0.247 176.857 176.600 0.017 0.000 1.134 299 K CA -0.146 56.136 56.287 -0.008 0.000 1.082 299 K CB 0.715 33.133 32.500 -0.137 0.000 0.768 299 K HN 0.128 nan 8.250 nan 0.000 0.475 300 L N 1.723 122.939 121.223 -0.012 0.000 2.262 300 L HA 0.018 4.358 4.340 0.001 0.000 0.197 300 L C 1.946 178.802 176.870 -0.024 0.000 1.073 300 L CA 1.594 56.401 54.840 -0.055 0.000 0.800 300 L CB -0.075 41.903 42.059 -0.136 0.000 0.987 300 L HN 0.133 nan 8.230 nan 0.000 0.470 301 Q N -0.009 119.767 119.800 -0.039 0.000 2.561 301 Q HA -0.072 4.269 4.340 0.001 0.000 0.217 301 Q C 0.613 176.601 176.000 -0.021 0.000 0.980 301 Q CA 1.211 56.990 55.803 -0.040 0.000 0.927 301 Q CB -0.820 27.893 28.738 -0.042 0.000 0.980 301 Q HN 0.661 nan 8.270 nan 0.000 0.525 302 S N -0.884 114.817 115.700 0.003 0.000 2.902 302 S HA 0.322 4.792 4.470 0.001 0.000 0.250 302 S C -0.635 173.955 174.600 -0.016 0.000 1.046 302 S CA -0.950 57.244 58.200 -0.011 0.000 1.069 302 S CB -0.488 62.712 63.200 0.001 0.000 0.967 302 S HN 0.272 nan 8.310 nan 0.000 0.530 303 F N 3.149 122.995 119.950 -0.172 0.000 2.411 303 F HA 0.658 5.185 4.527 0.001 0.000 0.350 303 F C -0.496 175.166 175.800 -0.230 0.000 1.114 303 F CA -0.914 56.943 58.000 -0.239 0.000 1.135 303 F CB 1.025 39.905 39.000 -0.200 0.000 1.120 303 F HN 0.214 nan 8.300 nan 0.000 0.495 304 D N 7.990 127.806 120.400 -0.974 0.000 2.686 304 D HA 0.379 5.019 4.640 0.001 0.000 0.249 304 D C -2.376 173.397 176.300 -0.877 0.000 1.260 304 D CA -2.395 51.122 54.000 -0.804 0.000 0.910 304 D CB 2.441 42.972 40.800 -0.449 0.000 1.323 304 D HN 0.191 nan 8.370 nan 0.000 0.561 305 P HA -0.093 nan 4.420 nan 0.000 0.226 305 P C 0.883 178.185 177.300 0.004 0.000 1.146 305 P CA 0.858 63.833 63.100 -0.208 0.000 0.773 305 P CB 0.303 31.945 31.700 -0.095 0.000 0.772 306 K N -0.461 119.851 120.400 -0.146 0.000 2.418 306 K HA -0.056 4.264 4.320 0.001 0.000 0.195 306 K C 1.186 177.725 176.600 -0.101 0.000 1.035 306 K CA 0.563 56.801 56.287 -0.082 0.000 1.003 306 K CB -0.066 32.384 32.500 -0.084 0.000 0.793 306 K HN 0.008 nan 8.250 nan 0.000 0.494 307 D N 1.204 121.456 120.400 -0.246 0.000 2.144 307 D HA -0.138 4.503 4.640 0.001 0.000 0.200 307 D C 0.952 177.253 176.300 0.002 0.000 0.978 307 D CA 0.580 54.373 54.000 -0.345 0.000 0.833 307 D CB -0.024 40.032 40.800 -1.241 0.000 0.961 307 D HN 0.289 nan 8.370 nan 0.000 0.470 308 I N 1.333 121.957 120.570 0.091 0.000 2.845 308 I HA -0.132 4.039 4.170 0.001 0.000 0.296 308 I C 0.631 176.829 176.117 0.135 0.000 1.216 308 I CA 0.237 61.658 61.300 0.202 0.000 1.438 308 I CB 0.679 38.734 38.000 0.091 0.000 1.342 308 I HN -0.153 nan 8.210 nan 0.000 0.577 309 S N 5.804 121.593 115.700 0.149 0.000 2.585 309 S HA 0.107 4.577 4.470 0.001 0.000 0.273 309 S C 0.733 175.367 174.600 0.056 0.000 1.339 309 S CA -0.708 57.551 58.200 0.099 0.000 1.028 309 S CB 0.379 63.635 63.200 0.094 0.000 0.906 309 S HN 0.791 nan 8.310 nan 0.000 0.528 310 N N 3.115 121.842 118.700 0.045 0.000 2.597 310 N HA 0.151 4.891 4.740 0.001 0.000 0.269 310 N C -0.936 174.591 175.510 0.028 0.000 1.204 310 N CA -0.278 52.790 53.050 0.031 0.000 0.947 310 N CB -0.179 38.324 38.487 0.027 0.000 1.258 310 N HN 0.419 nan 8.380 nan 0.000 0.508 311 K N -0.580 119.839 120.400 0.031 0.000 2.469 311 K HA 0.471 4.791 4.320 0.001 0.000 0.254 311 K C -0.172 176.445 176.600 0.029 0.000 0.939 311 K CA -0.985 55.319 56.287 0.028 0.000 0.812 311 K CB 2.191 34.708 32.500 0.028 0.000 1.301 311 K HN 0.118 nan 8.250 nan 0.000 0.433 312 G N 1.004 109.821 108.800 0.029 0.000 2.378 312 G HA2 0.369 4.329 3.960 0.001 0.000 0.255 312 G HA3 0.369 4.329 3.960 0.001 0.000 0.255 312 G C -0.063 174.857 174.900 0.033 0.000 1.270 312 G CA -0.400 44.720 45.100 0.034 0.000 0.876 312 G HN 0.343 nan 8.290 nan 0.000 0.521 313 V N 1.745 121.680 119.914 0.035 0.000 2.483 313 V HA 0.663 4.784 4.120 0.001 0.000 0.295 313 V C 0.273 176.395 176.094 0.047 0.000 1.035 313 V CA -1.297 61.020 62.300 0.028 0.000 0.896 313 V CB 1.385 33.209 31.823 0.003 0.000 0.986 313 V HN 0.579 nan 8.190 nan 0.000 0.447 314 I N 3.876 124.472 120.570 0.043 0.000 2.532 314 I HA 0.334 4.504 4.170 0.001 0.000 0.292 314 I C -0.244 175.927 176.117 0.089 0.000 1.014 314 I CA -0.286 61.051 61.300 0.062 0.000 1.340 314 I CB 1.349 39.371 38.000 0.036 0.000 1.422 314 I HN 0.690 nan 8.210 nan 0.000 0.528 315 F N 5.047 124.966 119.950 -0.053 0.000 2.424 315 F HA 0.187 4.714 4.527 0.001 0.000 0.356 315 F C 0.128 175.838 175.800 -0.149 0.000 1.110 315 F CA -0.366 57.608 58.000 -0.043 0.000 1.161 315 F CB 0.430 39.373 39.000 -0.096 0.000 1.115 315 F HN 0.347 nan 8.300 nan 0.000 0.507 316 D N 5.740 125.797 120.400 -0.573 0.000 2.454 316 D HA 0.107 4.747 4.640 0.001 0.000 0.225 316 D C 0.540 176.415 176.300 -0.709 0.000 1.081 316 D CA -0.206 53.503 54.000 -0.485 0.000 0.864 316 D CB 0.346 41.006 40.800 -0.234 0.000 1.040 316 D HN 0.451 nan 8.370 nan 0.000 0.517 317 Y N 2.230 122.354 120.300 -0.293 0.000 2.030 317 Y HA -0.252 4.299 4.550 0.000 0.000 0.274 317 Y C 2.363 178.128 175.900 -0.224 0.000 1.153 317 Y CA 1.413 59.417 58.100 -0.161 0.000 1.115 317 Y CB -0.839 37.707 38.460 0.143 0.000 0.969 317 Y HN 0.422 nan 8.280 nan 0.000 0.488 318 Q N 0.649 120.476 119.800 0.044 0.000 2.248 318 Q HA -0.228 4.113 4.340 0.001 0.000 0.208 318 Q C 2.034 177.972 176.000 -0.103 0.000 0.984 318 Q CA 1.930 57.724 55.803 -0.015 0.000 0.875 318 Q CB -0.200 28.536 28.738 -0.003 0.000 0.910 318 Q HN 0.260 nan 8.270 nan 0.000 0.433 319 K N -0.621 119.625 120.400 -0.256 0.000 2.103 319 K HA -0.064 4.256 4.320 0.001 0.000 0.204 319 K C 1.646 178.002 176.600 -0.406 0.000 1.052 319 K CA 0.913 57.016 56.287 -0.306 0.000 0.945 319 K CB -0.515 31.733 32.500 -0.421 0.000 0.722 319 K HN 0.320 nan 8.250 nan 0.000 0.443 320 L N 1.420 122.219 121.223 -0.706 0.000 2.093 320 L HA -0.016 4.324 4.340 0.001 0.000 0.208 320 L C 2.093 178.819 176.870 -0.241 0.000 1.085 320 L CA 1.839 56.317 54.840 -0.603 0.000 0.755 320 L CB -0.619 41.069 42.059 -0.618 0.000 0.904 320 L HN 0.426 nan 8.230 nan 0.000 0.435 321 E N -1.440 118.678 120.200 -0.136 0.000 2.077 321 E HA -0.311 4.040 4.350 0.001 0.000 0.193 321 E C 2.021 178.611 176.600 -0.016 0.000 0.989 321 E CA 1.594 57.970 56.400 -0.041 0.000 0.800 321 E CB -0.465 29.241 29.700 0.009 0.000 0.746 321 E HN 0.640 nan 8.360 nan 0.000 0.452 322 W N 0.674 121.867 121.300 -0.178 0.000 2.379 322 W HA -0.173 4.487 4.660 0.001 0.000 0.307 322 W C 1.957 178.374 176.519 -0.170 0.000 1.200 322 W CA 1.499 58.749 57.345 -0.159 0.000 1.297 322 W CB -0.500 28.861 29.460 -0.163 0.000 1.140 322 W HN -0.090 nan 8.180 nan 0.000 0.507 323 V N 1.320 121.071 119.914 -0.271 0.000 2.343 323 V HA -0.333 3.787 4.120 0.001 0.000 0.247 323 V C 2.156 178.038 176.094 -0.353 0.000 1.051 323 V CA 2.312 64.328 62.300 -0.474 0.000 1.036 323 V CB -1.352 30.327 31.823 -0.239 0.000 0.654 323 V HN 0.314 nan 8.190 nan 0.000 0.451 324 N N 0.999 119.580 118.700 -0.198 0.000 2.120 324 N HA -0.123 4.617 4.740 0.001 0.000 0.188 324 N C 1.864 177.289 175.510 -0.141 0.000 1.024 324 N CA 1.734 54.722 53.050 -0.103 0.000 0.852 324 N CB -0.566 37.877 38.487 -0.074 0.000 1.003 324 N HN 0.396 nan 8.380 nan 0.000 0.424 325 G N 0.416 109.091 108.800 -0.208 0.000 2.422 325 G HA2 -0.239 3.722 3.960 0.001 0.000 0.218 325 G HA3 -0.239 3.722 3.960 0.001 0.000 0.218 325 G C 1.396 176.132 174.900 -0.273 0.000 1.146 325 G CA 0.679 45.652 45.100 -0.212 0.000 0.769 325 G HN 0.375 nan 8.290 nan 0.000 0.547 326 K N -0.335 119.802 120.400 -0.439 0.000 2.211 326 K HA -0.106 4.214 4.320 0.001 0.000 0.204 326 K C 2.129 178.494 176.600 -0.392 0.000 1.047 326 K CA 1.016 57.007 56.287 -0.492 0.000 0.935 326 K CB -0.211 31.836 32.500 -0.755 0.000 0.728 326 K HN 0.339 nan 8.250 nan 0.000 0.452 327 H N 0.575 119.487 119.070 -0.263 0.000 2.372 327 H HA 0.094 4.651 4.556 0.001 0.000 0.301 327 H C 2.166 177.394 175.328 -0.168 0.000 1.065 327 H CA 1.092 57.020 56.048 -0.199 0.000 1.364 327 H CB -0.007 29.644 29.762 -0.184 0.000 1.406 327 H HN 0.163 nan 8.280 nan 0.000 0.521 328 M N 0.298 119.868 119.600 -0.050 0.000 2.082 328 M HA -0.199 4.282 4.480 0.001 0.000 0.258 328 M C 2.134 178.364 176.300 -0.117 0.000 1.069 328 M CA 1.762 57.004 55.300 -0.097 0.000 1.102 328 M CB -0.305 32.213 32.600 -0.136 0.000 1.336 328 M HN 0.138 nan 8.290 nan 0.000 0.404 329 R N -0.764 119.655 120.500 -0.136 0.000 2.307 329 R HA 0.015 4.355 4.340 0.001 0.000 0.199 329 R C 2.115 178.347 176.300 -0.113 0.000 1.000 329 R CA 0.419 56.440 56.100 -0.132 0.000 1.023 329 R CB -0.163 30.052 30.300 -0.142 0.000 0.908 329 R HN 0.424 nan 8.270 nan 0.000 0.473 330 R N 1.811 122.249 120.500 -0.104 0.000 2.005 330 R HA 0.087 4.427 4.340 0.001 0.000 0.213 330 R C 0.999 177.274 176.300 -0.041 0.000 1.308 330 R CA 0.204 56.257 56.100 -0.079 0.000 1.022 330 R CB -0.199 30.046 30.300 -0.092 0.000 0.883 330 R HN 0.089 nan 8.270 nan 0.000 0.470 331 I N 1.535 122.099 120.570 -0.009 0.000 3.110 331 I HA -0.072 4.098 4.170 0.001 0.000 0.305 331 I C 0.001 176.096 176.117 -0.036 0.000 1.232 331 I CA -0.153 61.139 61.300 -0.015 0.000 1.431 331 I CB 0.062 38.049 38.000 -0.021 0.000 1.320 331 I HN 0.283 nan 8.210 nan 0.000 0.583 332 D N 3.334 123.715 120.400 -0.030 0.000 2.419 332 D HA -0.047 4.594 4.640 0.001 0.000 0.236 332 D C 0.859 177.132 176.300 -0.044 0.000 1.165 332 D CA 0.070 54.050 54.000 -0.034 0.000 0.882 332 D CB 0.918 41.705 40.800 -0.022 0.000 1.201 332 D HN 0.706 nan 8.370 nan 0.000 0.443 333 L N 2.287 123.477 121.223 -0.055 0.000 2.046 333 L HA -0.164 4.176 4.340 0.001 0.000 0.208 333 L C 1.943 178.785 176.870 -0.047 0.000 1.077 333 L CA 1.419 56.214 54.840 -0.076 0.000 0.747 333 L CB -0.221 41.785 42.059 -0.088 0.000 0.896 333 L HN 0.584 nan 8.230 nan 0.000 0.432 334 E N -0.587 119.602 120.200 -0.019 0.000 2.110 334 E HA -0.269 4.081 4.350 0.001 0.000 0.193 334 E C 1.707 178.320 176.600 0.021 0.000 0.988 334 E CA 1.250 57.658 56.400 0.013 0.000 0.804 334 E CB -0.170 29.540 29.700 0.017 0.000 0.745 334 E HN 0.558 nan 8.360 nan 0.000 0.458 335 D N 1.033 121.434 120.400 0.002 0.000 2.084 335 D HA -0.161 4.479 4.640 0.001 0.000 0.194 335 D C 2.059 178.366 176.300 0.012 0.000 0.990 335 D CA 0.785 54.786 54.000 0.002 0.000 0.826 335 D CB 0.049 40.839 40.800 -0.017 0.000 0.971 335 D HN 0.090 nan 8.370 nan 0.000 0.453 336 L N 1.450 122.668 121.223 -0.008 0.000 2.201 336 L HA -0.071 4.269 4.340 0.001 0.000 0.212 336 L C 2.257 179.162 176.870 0.058 0.000 1.105 336 L CA 1.511 56.349 54.840 -0.004 0.000 0.775 336 L CB -0.608 41.408 42.059 -0.070 0.000 0.913 336 L HN -0.067 nan 8.230 nan 0.000 0.440 337 K N -0.776 119.654 120.400 0.051 0.000 2.280 337 K HA -0.155 4.165 4.320 0.001 0.000 0.202 337 K C 2.026 178.767 176.600 0.235 0.000 1.047 337 K CA 1.079 57.449 56.287 0.139 0.000 0.942 337 K CB 0.066 32.634 32.500 0.112 0.000 0.739 337 K HN 0.384 nan 8.250 nan 0.000 0.457 338 R N -0.044 120.552 120.500 0.160 0.000 2.075 338 R HA 0.009 4.350 4.340 0.001 0.000 0.220 338 R C 1.962 178.369 176.300 0.178 0.000 1.118 338 R CA 0.763 56.953 56.100 0.150 0.000 0.986 338 R CB -0.091 30.262 30.300 0.089 0.000 0.884 338 R HN 0.135 nan 8.270 nan 0.000 0.439 339 E N 0.626 120.923 120.200 0.161 0.000 2.204 339 E HA -0.182 4.168 4.350 0.001 0.000 0.195 339 E C 1.572 178.355 176.600 0.305 0.000 0.990 339 E CA 0.931 57.442 56.400 0.186 0.000 0.821 339 E CB -0.149 29.614 29.700 0.104 0.000 0.750 339 E HN 0.223 nan 8.360 nan 0.000 0.477 340 F N 0.823 120.864 119.950 0.152 0.000 2.270 340 F HA 0.052 4.579 4.527 0.001 0.000 0.295 340 F C 2.028 178.034 175.800 0.342 0.000 1.087 340 F CA 0.578 58.709 58.000 0.218 0.000 1.365 340 F CB -0.017 39.068 39.000 0.142 0.000 1.056 340 F HN -0.127 nan 8.300 nan 0.000 0.506 341 I N -0.118 120.609 120.570 0.261 0.000 2.277 341 I HA -0.188 3.982 4.170 0.001 0.000 0.243 341 I C 2.064 178.235 176.117 0.090 0.000 1.094 341 I CA 1.121 62.495 61.300 0.124 0.000 1.393 341 I CB -0.532 37.569 38.000 0.170 0.000 1.078 341 I HN 0.073 nan 8.210 nan 0.000 0.417 342 E N 0.113 120.403 120.200 0.150 0.000 2.204 342 E HA -0.271 4.079 4.350 0.001 0.000 0.195 342 E C 1.823 178.530 176.600 0.178 0.000 0.990 342 E CA 1.391 57.876 56.400 0.141 0.000 0.821 342 E CB -0.163 29.631 29.700 0.156 0.000 0.750 342 E HN 0.561 nan 8.360 nan 0.000 0.477 343 W N 1.508 122.829 121.300 0.036 0.000 2.408 343 W HA -0.086 4.574 4.660 0.001 0.000 0.311 343 W C 2.406 178.885 176.519 -0.067 0.000 1.190 343 W CA 1.830 59.197 57.345 0.036 0.000 1.321 343 W CB -0.481 28.998 29.460 0.031 0.000 1.143 343 W HN -0.021 nan 8.180 nan 0.000 0.501 344 A N 0.594 123.276 122.820 -0.231 0.000 2.024 344 A HA -0.245 4.075 4.320 0.001 0.000 0.220 344 A C 2.035 179.374 177.584 -0.409 0.000 1.164 344 A CA 2.052 53.751 52.037 -0.562 0.000 0.643 344 A CB -0.971 17.791 19.000 -0.397 0.000 0.806 344 A HN 0.454 nan 8.150 nan 0.000 0.451 345 K N -1.998 118.280 120.400 -0.202 0.000 2.097 345 K HA -0.197 4.124 4.320 0.001 0.000 0.206 345 K C 1.854 178.390 176.600 -0.107 0.000 1.049 345 K CA 1.809 58.027 56.287 -0.116 0.000 0.933 345 K CB -0.317 32.169 32.500 -0.023 0.000 0.717 345 K HN 0.536 nan 8.250 nan 0.000 0.442 346 Y N 0.168 120.305 120.300 -0.272 0.000 2.436 346 Y HA 0.240 4.790 4.550 0.001 0.000 0.288 346 Y C 1.715 177.380 175.900 -0.391 0.000 1.112 346 Y CA 0.494 58.432 58.100 -0.270 0.000 1.220 346 Y CB -0.174 38.160 38.460 -0.209 0.000 1.073 346 Y HN 0.097 nan 8.280 nan 0.000 0.552 347 A N 0.056 122.432 122.820 -0.741 0.000 2.225 347 A HA 0.155 4.476 4.320 0.001 0.000 0.215 347 A C 2.104 179.288 177.584 -0.667 0.000 1.164 347 A CA 1.259 52.739 52.037 -0.929 0.000 0.710 347 A CB -1.601 16.463 19.000 -1.560 0.000 0.780 347 A HN 0.976 nan 8.150 nan 0.000 0.473 348 G N -1.125 107.364 108.800 -0.518 0.000 2.189 348 G HA2 -0.298 3.662 3.960 0.001 0.000 0.267 348 G HA3 -0.298 3.662 3.960 0.001 0.000 0.267 348 G C 0.205 174.913 174.900 -0.319 0.000 0.975 348 G CA 0.772 45.658 45.100 -0.356 0.000 0.644 348 G HN 0.619 nan 8.290 nan 0.000 0.537 349 K N 1.129 121.265 120.400 -0.440 0.000 2.156 349 K HA 0.473 4.794 4.320 0.001 0.000 0.271 349 K C 0.595 177.024 176.600 -0.285 0.000 0.995 349 K CA -0.347 55.704 56.287 -0.393 0.000 0.890 349 K CB 1.126 33.197 32.500 -0.716 0.000 1.073 349 K HN 0.657 nan 8.250 nan 0.000 0.454 350 E N 3.422 123.564 120.200 -0.096 0.000 2.254 350 E HA 0.529 4.879 4.350 0.001 0.000 0.261 350 E C -0.422 176.248 176.600 0.118 0.000 1.051 350 E CA -0.939 55.450 56.400 -0.018 0.000 0.902 350 E CB 1.114 30.818 29.700 0.006 0.000 1.168 350 E HN 0.558 nan 8.360 nan 0.000 0.423 351 I N -2.316 118.313 120.570 0.098 0.000 2.534 351 I HA 0.373 4.543 4.170 0.001 0.000 0.286 351 I C -2.733 173.432 176.117 0.080 0.000 1.094 351 I CA -2.747 58.657 61.300 0.173 0.000 1.055 351 I CB 1.481 39.600 38.000 0.199 0.000 1.225 351 I HN 0.281 nan 8.210 nan 0.000 0.435 352 P HA 0.002 nan 4.420 nan 0.000 0.256 352 P C 0.149 177.463 177.300 0.024 0.000 1.173 352 P CA 0.438 63.573 63.100 0.059 0.000 0.768 352 P CB 0.542 32.289 31.700 0.078 0.000 0.758 353 S N 2.864 118.555 115.700 -0.015 0.000 2.525 353 S HA 0.302 4.772 4.470 0.001 0.000 0.285 353 S C 0.281 174.883 174.600 0.004 0.000 1.283 353 S CA -0.477 57.692 58.200 -0.052 0.000 1.072 353 S CB -0.369 62.803 63.200 -0.047 0.000 0.867 353 S HN 0.292 nan 8.310 nan 0.000 0.492 354 V N 2.289 122.218 119.914 0.025 0.000 3.165 354 V HA 0.610 4.731 4.120 0.001 0.000 0.307 354 V C 0.047 176.221 176.094 0.134 0.000 1.281 354 V CA -1.125 61.251 62.300 0.126 0.000 1.056 354 V CB 0.724 32.744 31.823 0.327 0.000 1.178 354 V HN 0.709 nan 8.190 nan 0.000 0.475 355 D N 0.975 121.492 120.400 0.195 0.000 2.472 355 D HA 0.003 4.644 4.640 0.001 0.000 0.248 355 D C 1.187 177.619 176.300 0.220 0.000 1.174 355 D CA 0.292 54.396 54.000 0.174 0.000 0.883 355 D CB 1.294 42.196 40.800 0.171 0.000 1.149 355 D HN 0.614 nan 8.370 nan 0.000 0.488 356 E N 3.744 124.034 120.200 0.151 0.000 2.187 356 E HA -0.256 4.094 4.350 0.001 0.000 0.199 356 E C 1.724 178.445 176.600 0.201 0.000 1.004 356 E CA 0.913 57.412 56.400 0.165 0.000 0.813 356 E CB -0.016 29.750 29.700 0.109 0.000 0.736 356 E HN 0.602 nan 8.360 nan 0.000 0.468 357 R N -0.482 120.126 120.500 0.179 0.000 2.080 357 R HA -0.102 4.238 4.340 0.001 0.000 0.222 357 R C 2.256 178.679 176.300 0.206 0.000 1.107 357 R CA 0.545 56.741 56.100 0.160 0.000 0.980 357 R CB -0.247 30.130 30.300 0.129 0.000 0.879 357 R HN 0.126 nan 8.270 nan 0.000 0.439 358 Y N -0.096 120.281 120.300 0.128 0.000 2.483 358 Y HA -0.151 4.399 4.550 0.001 0.000 0.291 358 Y C 1.010 177.031 175.900 0.202 0.000 1.143 358 Y CA 0.913 59.099 58.100 0.143 0.000 1.289 358 Y CB -0.109 38.433 38.460 0.135 0.000 0.983 358 Y HN 0.100 nan 8.280 nan 0.000 0.556 359 F N -0.686 119.255 119.950 -0.014 0.000 2.732 359 F HA 0.176 4.703 4.527 0.001 0.000 0.303 359 F C 1.638 177.388 175.800 -0.084 0.000 1.110 359 F CA 0.222 58.173 58.000 -0.082 0.000 1.355 359 F CB 0.017 39.039 39.000 0.037 0.000 1.081 359 F HN -0.055 nan 8.300 nan 0.000 0.565 360 S N -1.069 114.573 115.700 -0.097 0.000 2.641 360 S HA 0.035 4.506 4.470 0.001 0.000 0.239 360 S C 1.716 176.213 174.600 -0.172 0.000 1.081 360 S CA -0.074 58.041 58.200 -0.140 0.000 0.904 360 S CB 0.073 63.261 63.200 -0.020 0.000 0.803 360 S HN 0.206 nan 8.310 nan 0.000 0.510 361 E N 1.785 121.915 120.200 -0.117 0.000 2.152 361 E HA -0.078 4.272 4.350 0.001 0.000 0.192 361 E C 2.342 178.828 176.600 -0.190 0.000 0.983 361 E CA 1.552 57.895 56.400 -0.094 0.000 0.818 361 E CB -0.539 29.172 29.700 0.018 0.000 0.758 361 E HN 0.699 nan 8.360 nan 0.000 0.467 362 T N -0.170 114.189 114.554 -0.324 0.000 2.674 362 T HA -0.110 4.241 4.350 0.001 0.000 0.265 362 T C 2.265 176.647 174.700 -0.530 0.000 1.039 362 T CA 0.880 62.679 62.100 -0.502 0.000 1.150 362 T CB -0.622 67.856 68.868 -0.650 0.000 0.864 362 T HN 0.050 nan 8.240 nan 0.000 0.427 363 L N 0.706 121.607 121.223 -0.538 0.000 2.017 363 L HA -0.049 4.291 4.340 0.001 0.000 0.208 363 L C 3.262 179.914 176.870 -0.364 0.000 1.073 363 L CA 1.756 56.283 54.840 -0.522 0.000 0.745 363 L CB -0.596 41.125 42.059 -0.564 0.000 0.894 363 L HN 0.258 nan 8.230 nan 0.000 0.432 364 R N 0.879 121.212 120.500 -0.278 0.000 2.117 364 R HA -0.220 4.121 4.340 0.001 0.000 0.243 364 R C 2.209 178.402 176.300 -0.180 0.000 1.143 364 R CA 2.141 58.126 56.100 -0.193 0.000 0.968 364 R CB -0.308 29.912 30.300 -0.134 0.000 0.863 364 R HN 0.604 nan 8.270 nan 0.000 0.444 365 I N -3.458 116.990 120.570 -0.203 0.000 3.035 365 I HA -0.003 4.168 4.170 0.001 0.000 0.271 365 I C 1.765 177.746 176.117 -0.227 0.000 1.190 365 I CA 0.230 61.425 61.300 -0.174 0.000 1.472 365 I CB -0.161 37.762 38.000 -0.128 0.000 1.116 365 I HN 0.055 nan 8.210 nan 0.000 0.443 366 C N 2.329 121.434 119.300 -0.325 0.000 2.544 366 C HA 0.009 4.470 4.460 0.001 0.000 0.280 366 C C 2.988 177.806 174.990 -0.287 0.000 1.295 366 C CA 1.057 59.865 59.018 -0.350 0.000 1.702 366 C CB -0.989 26.457 27.740 -0.489 0.000 2.090 366 C HN 0.594 nan 8.230 nan 0.000 0.493 367 R N 1.560 121.877 120.500 -0.305 0.000 2.139 367 R HA -0.136 4.204 4.340 0.001 0.000 0.243 367 R C 1.209 177.392 176.300 -0.195 0.000 1.145 367 R CA 1.766 57.710 56.100 -0.260 0.000 0.976 367 R CB -0.590 29.556 30.300 -0.258 0.000 0.866 367 R HN 0.435 nan 8.270 nan 0.000 0.449 368 E N 0.698 120.793 120.200 -0.175 0.000 2.512 368 E HA -0.014 4.336 4.350 0.001 0.000 0.195 368 E C 0.290 176.818 176.600 -0.121 0.000 1.083 368 E CA 0.491 56.809 56.400 -0.136 0.000 0.873 368 E CB 0.404 30.034 29.700 -0.116 0.000 0.897 368 E HN 0.351 nan 8.360 nan 0.000 0.514 369 K N -0.010 120.309 120.400 -0.135 0.000 2.533 369 K HA 0.169 4.490 4.320 0.001 0.000 0.202 369 K C 0.554 177.089 176.600 -0.108 0.000 1.096 369 K CA -0.039 56.181 56.287 -0.112 0.000 1.056 369 K CB 1.160 33.591 32.500 -0.114 0.000 0.890 369 K HN 0.021 nan 8.250 nan 0.000 0.552 370 V N -2.672 117.167 119.914 -0.124 0.000 3.145 370 V HA 0.586 4.706 4.120 0.001 0.000 0.311 370 V C 0.146 176.174 176.094 -0.110 0.000 1.238 370 V CA -0.843 61.389 62.300 -0.114 0.000 1.066 370 V CB 2.100 33.840 31.823 -0.140 0.000 1.144 370 V HN -0.077 nan 8.190 nan 0.000 0.465 371 N N -0.341 118.300 118.700 -0.098 0.000 2.272 371 N HA 0.146 4.886 4.740 0.001 0.000 0.228 371 N C 0.306 175.756 175.510 -0.101 0.000 1.206 371 N CA 0.976 53.968 53.050 -0.096 0.000 0.855 371 N CB 1.183 39.636 38.487 -0.057 0.000 1.248 371 N HN 0.997 nan 8.380 nan 0.000 0.476 372 T N -1.781 112.711 114.554 -0.104 0.000 2.893 372 T HA 0.498 4.849 4.350 0.001 0.000 0.291 372 T C 1.298 175.866 174.700 -0.220 0.000 1.028 372 T CA -0.658 61.363 62.100 -0.131 0.000 0.995 372 T CB 1.770 70.590 68.868 -0.081 0.000 1.051 372 T HN -0.130 nan 8.240 nan 0.000 0.470 373 L N 1.518 122.523 121.223 -0.363 0.000 2.127 373 L HA -0.099 4.241 4.340 0.001 0.000 0.211 373 L C 3.009 179.432 176.870 -0.744 0.000 1.089 373 L CA 1.511 56.023 54.840 -0.548 0.000 0.757 373 L CB -0.658 40.860 42.059 -0.903 0.000 0.899 373 L HN 0.889 nan 8.230 nan 0.000 0.434 374 S N -0.453 114.824 115.700 -0.704 0.000 2.368 374 S HA -0.230 4.240 4.470 0.001 0.000 0.225 374 S C 1.965 176.591 174.600 0.044 0.000 1.030 374 S CA 1.445 59.499 58.200 -0.243 0.000 0.999 374 S CB -0.024 63.220 63.200 0.074 0.000 0.844 374 S HN 0.484 nan 8.310 nan 0.000 0.459 375 Q N 0.090 119.875 119.800 -0.024 0.000 2.050 375 Q HA -0.091 4.249 4.340 0.001 0.000 0.202 375 Q C 2.242 178.257 176.000 0.025 0.000 0.980 375 Q CA 1.478 57.287 55.803 0.009 0.000 0.840 375 Q CB -0.458 28.257 28.738 -0.039 0.000 0.898 375 Q HN 0.477 nan 8.270 nan 0.000 0.424 376 L N 0.280 121.486 121.223 -0.027 0.000 2.137 376 L HA -0.252 4.089 4.340 0.001 0.000 0.213 376 L C 2.158 179.113 176.870 0.142 0.000 1.085 376 L CA 1.789 56.584 54.840 -0.076 0.000 0.760 376 L CB -0.699 41.206 42.059 -0.257 0.000 0.893 376 L HN 0.236 nan 8.230 nan 0.000 0.434 377 Y N 0.316 120.783 120.300 0.277 0.000 2.200 377 Y HA -0.216 4.334 4.550 0.001 0.000 0.290 377 Y C 2.272 178.333 175.900 0.268 0.000 1.137 377 Y CA 1.972 60.336 58.100 0.439 0.000 1.163 377 Y CB -0.329 38.422 38.460 0.484 0.000 0.988 377 Y HN 0.366 nan 8.280 nan 0.000 0.518 378 D N 0.166 120.639 120.400 0.122 0.000 2.084 378 D HA -0.205 4.435 4.640 0.001 0.000 0.196 378 D C 2.241 178.545 176.300 0.007 0.000 0.985 378 D CA 1.693 55.688 54.000 -0.009 0.000 0.826 378 D CB -0.508 40.303 40.800 0.019 0.000 0.978 378 D HN 0.471 nan 8.370 nan 0.000 0.456 379 I N 0.400 120.960 120.570 -0.016 0.000 2.916 379 I HA -0.122 4.048 4.170 0.001 0.000 0.267 379 I C 1.735 177.802 176.117 -0.084 0.000 1.263 379 I CA 0.584 61.850 61.300 -0.057 0.000 1.471 379 I CB 0.109 38.036 38.000 -0.122 0.000 1.089 379 I HN -0.096 nan 8.210 nan 0.000 0.468 380 M N -1.154 118.413 119.600 -0.056 0.000 2.405 380 M HA 0.009 4.489 4.480 0.001 0.000 0.292 380 M C 1.104 177.483 176.300 0.131 0.000 1.111 380 M CA -0.090 55.173 55.300 -0.061 0.000 0.979 380 M CB 0.230 32.775 32.600 -0.092 0.000 1.426 380 M HN 0.263 nan 8.290 nan 0.000 0.509 381 Y N 2.449 122.721 120.300 -0.046 0.000 2.184 381 Y HA 0.061 4.611 4.550 0.001 0.000 0.290 381 Y C -1.054 174.881 175.900 0.059 0.000 1.129 381 Y CA 1.472 59.523 58.100 -0.082 0.000 1.144 381 Y CB -1.262 37.109 38.460 -0.149 0.000 0.995 381 Y HN 0.224 nan 8.280 nan 0.000 0.513 382 P HA -0.124 nan 4.420 nan 0.000 0.226 382 P C 1.091 178.344 177.300 -0.077 0.000 1.153 382 P CA 1.417 64.387 63.100 -0.216 0.000 0.777 382 P CB -0.278 31.097 31.700 -0.542 0.000 0.794 383 F N -0.590 119.323 119.950 -0.061 0.000 2.317 383 F HA 0.108 4.635 4.527 0.001 0.000 0.293 383 F C 2.470 178.379 175.800 0.181 0.000 1.085 383 F CA 1.026 59.071 58.000 0.076 0.000 1.390 383 F CB -0.778 38.208 39.000 -0.024 0.000 1.077 383 F HN -0.232 nan 8.300 nan 0.000 0.517 384 M N -0.867 118.908 119.600 0.293 0.000 2.509 384 M HA 0.118 4.598 4.480 0.001 0.000 0.250 384 M C -0.378 175.981 176.300 0.098 0.000 1.132 384 M CA 0.686 56.132 55.300 0.243 0.000 1.080 384 M CB -0.713 32.038 32.600 0.250 0.000 1.408 384 M HN -0.085 nan 8.290 nan 0.000 0.484 385 N N 0.613 119.292 118.700 -0.036 0.000 2.238 385 N HA 0.214 4.954 4.740 0.001 0.000 0.302 385 N C -0.517 174.916 175.510 -0.130 0.000 1.072 385 N CA -0.336 52.624 53.050 -0.150 0.000 0.792 385 N CB 2.107 40.350 38.487 -0.408 0.000 1.425 385 N HN -0.004 nan 8.380 nan 0.000 0.478 386 D N -0.241 120.081 120.400 -0.129 0.000 2.398 386 D HA -0.005 4.635 4.640 0.001 0.000 0.210 386 D C -0.028 176.083 176.300 -0.315 0.000 1.094 386 D CA 0.380 54.282 54.000 -0.163 0.000 0.839 386 D CB 0.442 41.168 40.800 -0.123 0.000 0.963 386 D HN 0.615 nan 8.370 nan 0.000 0.506 387 D N -0.218 120.020 120.400 -0.270 0.000 2.463 387 D HA -0.028 4.612 4.640 0.001 0.000 0.224 387 D C 0.752 176.907 176.300 -0.242 0.000 1.174 387 D CA -0.645 53.206 54.000 -0.250 0.000 0.829 387 D CB -0.691 40.047 40.800 -0.104 0.000 0.993 387 D HN 0.147 nan 8.370 nan 0.000 0.497 388 Y N 0.057 120.201 120.300 -0.261 0.000 2.469 388 Y HA 0.336 4.887 4.550 0.001 0.000 0.353 388 Y C 0.438 176.291 175.900 -0.077 0.000 1.269 388 Y CA -0.672 57.309 58.100 -0.197 0.000 1.504 388 Y CB 0.372 38.615 38.460 -0.362 0.000 1.369 388 Y HN -0.184 nan 8.280 nan 0.000 0.654 389 E N -0.151 120.250 120.200 0.335 0.000 2.281 389 E HA 0.313 4.663 4.350 0.001 0.000 0.257 389 E C -1.568 175.091 176.600 0.098 0.000 0.971 389 E CA -1.002 55.515 56.400 0.194 0.000 0.839 389 E CB 1.108 30.923 29.700 0.191 0.000 1.238 389 E HN 0.681 nan 8.360 nan 0.000 0.412 390 Y N 0.545 120.860 120.300 0.026 0.000 2.341 390 Y HA 0.213 4.764 4.550 0.001 0.000 0.337 390 Y C 0.764 176.761 175.900 0.161 0.000 1.014 390 Y CA -0.569 57.576 58.100 0.076 0.000 1.111 390 Y CB 0.931 39.429 38.460 0.063 0.000 1.194 390 Y HN 0.192 nan 8.280 nan 0.000 0.462 391 E N 1.950 122.298 120.200 0.246 0.000 2.392 391 E HA -0.015 4.336 4.350 0.001 0.000 0.264 391 E C 0.717 177.495 176.600 0.297 0.000 1.024 391 E CA -0.265 56.260 56.400 0.207 0.000 0.903 391 E CB 1.027 30.790 29.700 0.106 0.000 0.963 391 E HN 0.484 nan 8.360 nan 0.000 0.432 392 K N 2.411 122.942 120.400 0.219 0.000 2.063 392 K HA -0.226 4.095 4.320 0.001 0.000 0.208 392 K C 1.221 177.944 176.600 0.205 0.000 1.048 392 K CA 1.884 58.291 56.287 0.201 0.000 0.928 392 K CB -0.176 32.408 32.500 0.141 0.000 0.713 392 K HN 0.421 nan 8.250 nan 0.000 0.442 393 D N -1.271 119.245 120.400 0.193 0.000 2.371 393 D HA -0.114 4.526 4.640 0.001 0.000 0.234 393 D C 1.011 177.487 176.300 0.292 0.000 1.049 393 D CA 0.298 54.423 54.000 0.208 0.000 0.907 393 D CB 0.030 40.927 40.800 0.163 0.000 0.891 393 D HN 0.381 nan 8.370 nan 0.000 0.531 394 Y N -0.745 119.647 120.300 0.154 0.000 2.382 394 Y HA 0.108 4.658 4.550 0.000 0.000 0.292 394 Y C 1.786 177.850 175.900 0.274 0.000 1.151 394 Y CA 0.711 58.890 58.100 0.132 0.000 1.198 394 Y CB -0.271 38.254 38.460 0.107 0.000 1.195 394 Y HN -0.087 nan 8.280 nan 0.000 0.530 395 V N 0.799 120.718 119.914 0.008 0.000 2.591 395 V HA -0.103 4.017 4.120 0.001 0.000 0.249 395 V C 1.227 177.308 176.094 -0.021 0.000 1.053 395 V CA 1.579 63.806 62.300 -0.122 0.000 1.068 395 V CB -0.481 31.344 31.823 0.004 0.000 0.689 395 V HN 0.264 nan 8.190 nan 0.000 0.462 396 E N 0.441 120.683 120.200 0.070 0.000 2.322 396 E HA 0.045 4.395 4.350 0.001 0.000 0.195 396 E C 1.187 177.827 176.600 0.067 0.000 1.198 396 E CA 0.276 56.710 56.400 0.056 0.000 1.132 396 E CB 0.109 29.853 29.700 0.074 0.000 1.213 396 E HN 0.653 nan 8.360 nan 0.000 0.450 397 K N -1.698 118.750 120.400 0.081 0.000 2.226 397 K HA 0.021 4.341 4.320 0.001 0.000 0.140 397 K C 0.406 176.881 176.600 -0.209 0.000 2.039 397 K CA 0.107 56.382 56.287 -0.020 0.000 1.172 397 K CB 0.153 32.702 32.500 0.081 0.000 2.136 397 K HN -0.047 nan 8.250 nan 0.000 0.492 398 F N 0.373 120.264 119.950 -0.099 0.000 2.495 398 F HA 0.198 4.725 4.527 0.001 0.000 0.271 398 F C 1.685 177.373 175.800 -0.187 0.000 0.889 398 F CA -0.139 57.795 58.000 -0.110 0.000 1.129 398 F CB -0.629 38.340 39.000 -0.052 0.000 1.169 398 F HN -0.099 nan 8.300 nan 0.000 0.781 399 L N 1.123 122.248 121.223 -0.163 0.000 2.189 399 L HA -0.127 4.213 4.340 0.001 0.000 0.214 399 L C 0.513 177.311 176.870 -0.119 0.000 1.097 399 L CA 1.808 56.521 54.840 -0.212 0.000 0.764 399 L CB -0.703 41.124 42.059 -0.387 0.000 0.900 399 L HN -0.055 nan 8.230 nan 0.000 0.436 400 K N 1.325 121.661 120.400 -0.106 0.000 2.244 400 K HA 0.401 4.722 4.320 0.001 0.000 0.263 400 K C -0.611 175.944 176.600 -0.074 0.000 1.103 400 K CA -0.097 56.135 56.287 -0.091 0.000 0.966 400 K CB 0.520 32.965 32.500 -0.090 0.000 1.429 400 K HN 0.182 nan 8.250 nan 0.000 0.434 401 R N 0.779 121.241 120.500 -0.062 0.000 2.680 401 R HA 0.055 4.396 4.340 0.001 0.000 0.269 401 R C 0.438 176.713 176.300 -0.043 0.000 1.026 401 R CA -0.704 55.362 56.100 -0.056 0.000 0.889 401 R CB 1.456 31.721 30.300 -0.058 0.000 1.241 401 R HN 0.510 nan 8.270 nan 0.000 0.463 402 E N 1.328 121.504 120.200 -0.039 0.000 2.273 402 E HA -0.226 4.124 4.350 0.001 0.000 0.198 402 E C 0.755 177.341 176.600 -0.024 0.000 1.002 402 E CA 1.816 58.197 56.400 -0.031 0.000 0.828 402 E CB 0.447 30.130 29.700 -0.028 0.000 0.747 402 E HN 0.482 nan 8.360 nan 0.000 0.491 403 E N -1.293 118.894 120.200 -0.022 0.000 2.641 403 E HA 0.118 4.468 4.350 0.001 0.000 0.224 403 E C 1.344 177.941 176.600 -0.006 0.000 0.951 403 E CA 0.580 56.972 56.400 -0.013 0.000 1.102 403 E CB -0.028 29.664 29.700 -0.013 0.000 1.091 403 E HN 0.174 nan 8.360 nan 0.000 0.507 404 A N 1.614 124.428 122.820 -0.010 0.000 2.234 404 A HA -0.186 4.135 4.320 0.001 0.000 0.216 404 A C 2.038 179.630 177.584 0.012 0.000 1.167 404 A CA 1.559 53.598 52.037 0.004 0.000 0.698 404 A CB -0.581 18.414 19.000 -0.008 0.000 0.779 404 A HN 0.387 nan 8.150 nan 0.000 0.475 405 E N 0.319 120.520 120.200 0.003 0.000 2.060 405 E HA -0.174 4.176 4.350 0.001 0.000 0.189 405 E C 2.207 178.820 176.600 0.020 0.000 0.974 405 E CA 0.887 57.292 56.400 0.008 0.000 0.808 405 E CB -0.124 29.574 29.700 -0.004 0.000 0.768 405 E HN 0.762 nan 8.360 nan 0.000 0.453 406 R N 0.150 120.660 120.500 0.017 0.000 2.189 406 R HA 0.008 4.349 4.340 0.001 0.000 0.218 406 R C 2.072 178.392 176.300 0.033 0.000 1.074 406 R CA 0.959 57.073 56.100 0.023 0.000 0.991 406 R CB -0.439 29.871 30.300 0.016 0.000 0.883 406 R HN 0.015 nan 8.270 nan 0.000 0.457 407 V N 1.946 121.878 119.914 0.031 0.000 2.469 407 V HA -0.205 3.915 4.120 0.001 0.000 0.251 407 V C 2.298 178.426 176.094 0.057 0.000 1.064 407 V CA 1.610 63.932 62.300 0.037 0.000 1.066 407 V CB -0.424 31.419 31.823 0.032 0.000 0.667 407 V HN 0.303 nan 8.190 nan 0.000 0.461 408 L N -1.026 120.235 121.223 0.062 0.000 2.127 408 L HA -0.012 4.329 4.340 0.001 0.000 0.203 408 L C 2.701 179.613 176.870 0.070 0.000 1.080 408 L CA 0.969 55.852 54.840 0.073 0.000 0.768 408 L CB -0.590 41.519 42.059 0.083 0.000 0.924 408 L HN 0.236 nan 8.230 nan 0.000 0.444 409 E N 0.709 120.946 120.200 0.061 0.000 2.031 409 E HA -0.217 4.134 4.350 0.001 0.000 0.193 409 E C 2.027 178.671 176.600 0.074 0.000 0.994 409 E CA 1.294 57.731 56.400 0.061 0.000 0.800 409 E CB -0.107 29.621 29.700 0.046 0.000 0.752 409 E HN 0.531 nan 8.360 nan 0.000 0.447 410 E N 0.829 121.071 120.200 0.070 0.000 2.058 410 E HA -0.170 4.180 4.350 0.001 0.000 0.194 410 E C 2.056 178.729 176.600 0.123 0.000 0.997 410 E CA 1.145 57.593 56.400 0.079 0.000 0.801 410 E CB -0.168 29.569 29.700 0.061 0.000 0.746 410 E HN 0.202 nan 8.360 nan 0.000 0.450 411 A N 1.725 124.630 122.820 0.142 0.000 1.972 411 A HA -0.245 4.075 4.320 0.001 0.000 0.219 411 A C 2.065 179.818 177.584 0.282 0.000 1.169 411 A CA 1.660 53.840 52.037 0.238 0.000 0.635 411 A CB -0.435 18.662 19.000 0.161 0.000 0.810 411 A HN 0.111 nan 8.150 nan 0.000 0.446 412 K N -0.186 120.313 120.400 0.165 0.000 2.009 412 K HA -0.259 4.061 4.320 0.001 0.000 0.210 412 K C 2.141 178.864 176.600 0.205 0.000 1.049 412 K CA 1.991 58.371 56.287 0.156 0.000 0.929 412 K CB -0.171 32.390 32.500 0.102 0.000 0.714 412 K HN 0.254 nan 8.250 nan 0.000 0.440 413 K N 0.745 121.242 120.400 0.163 0.000 2.026 413 K HA -0.063 4.257 4.320 0.001 0.000 0.208 413 K C 1.818 178.512 176.600 0.156 0.000 1.048 413 K CA 1.642 58.012 56.287 0.137 0.000 0.929 413 K CB -0.647 31.909 32.500 0.092 0.000 0.713 413 K HN 0.281 nan 8.250 nan 0.000 0.439 414 A N 0.071 122.992 122.820 0.169 0.000 1.869 414 A HA -0.179 4.141 4.320 0.001 0.000 0.218 414 A C 2.137 179.747 177.584 0.043 0.000 1.203 414 A CA 2.091 54.174 52.037 0.077 0.000 0.638 414 A CB -1.111 17.919 19.000 0.051 0.000 0.831 414 A HN 0.383 nan 8.150 nan 0.000 0.450 415 F N -0.283 119.707 119.950 0.067 0.000 2.407 415 F HA 0.032 4.560 4.527 0.001 0.000 0.299 415 F C 2.043 177.991 175.800 0.247 0.000 1.097 415 F CA 1.349 59.423 58.000 0.124 0.000 1.422 415 F CB -0.189 38.914 39.000 0.172 0.000 1.067 415 F HN 0.195 nan 8.300 nan 0.000 0.539 416 K N 0.116 120.726 120.400 0.350 0.000 2.515 416 K HA -0.111 4.210 4.320 0.001 0.000 0.196 416 K C -0.136 176.569 176.600 0.175 0.000 1.038 416 K CA 1.140 57.571 56.287 0.239 0.000 0.967 416 K CB -0.055 32.547 32.500 0.168 0.000 0.780 416 K HN 0.169 nan 8.250 nan 0.000 0.483 417 D N 0.749 121.241 120.400 0.152 0.000 2.837 417 D HA 0.085 4.726 4.640 0.001 0.000 0.340 417 D C -0.792 175.555 176.300 0.078 0.000 1.451 417 D CA -0.135 53.923 54.000 0.097 0.000 0.798 417 D CB 0.494 41.330 40.800 0.059 0.000 1.169 417 D HN 0.119 nan 8.370 nan 0.000 0.449 418 L N 2.798 124.101 121.223 0.132 0.000 2.334 418 L HA 0.139 4.480 4.340 0.001 0.000 0.286 418 L C 1.840 178.789 176.870 0.132 0.000 1.108 418 L CA -0.442 54.453 54.840 0.093 0.000 0.875 418 L CB 0.436 42.558 42.059 0.106 0.000 1.246 418 L HN -0.000 nan 8.230 nan 0.000 0.439 419 N N 0.590 119.332 118.700 0.071 0.000 2.348 419 N HA -0.148 4.592 4.740 0.001 0.000 0.185 419 N C 0.506 176.067 175.510 0.084 0.000 1.019 419 N CA 0.404 53.495 53.050 0.068 0.000 0.880 419 N CB 0.251 38.760 38.487 0.037 0.000 0.965 419 N HN 0.414 nan 8.380 nan 0.000 0.437 420 S N -0.265 115.487 115.700 0.087 0.000 2.775 420 S HA 0.183 4.654 4.470 0.001 0.000 0.277 420 S C -1.794 172.889 174.600 0.140 0.000 1.156 420 S CA -0.847 57.414 58.200 0.102 0.000 1.081 420 S CB 0.140 63.367 63.200 0.044 0.000 1.054 420 S HN 0.342 nan 8.310 nan 0.000 0.482 421 W N 7.838 129.153 121.300 0.026 0.000 2.332 421 W HA 0.470 5.131 4.660 0.001 0.000 0.306 421 W C -0.645 175.908 176.519 0.056 0.000 1.149 421 W CA -0.300 57.075 57.345 0.051 0.000 1.271 421 W CB 0.546 30.052 29.460 0.076 0.000 1.243 421 W HN 0.880 nan 8.180 nan 0.000 0.459 422 N N 3.796 122.473 118.700 -0.039 0.000 3.185 422 N HA 0.075 4.815 4.740 0.001 0.000 0.238 422 N C 0.331 175.802 175.510 -0.066 0.000 1.451 422 N CA -0.680 52.393 53.050 0.037 0.000 0.888 422 N CB 0.382 38.904 38.487 0.057 0.000 1.413 422 N HN 0.352 nan 8.380 nan 0.000 0.511 423 M N 0.098 119.710 119.600 0.021 0.000 2.337 423 M HA -0.157 4.324 4.480 0.001 0.000 0.261 423 M C 1.793 178.042 176.300 -0.086 0.000 1.067 423 M CA 1.731 57.051 55.300 0.032 0.000 1.074 423 M CB -0.250 32.400 32.600 0.083 0.000 1.395 423 M HN 0.744 nan 8.290 nan 0.000 0.431 424 E N 0.744 120.881 120.200 -0.105 0.000 2.008 424 E HA -0.184 4.167 4.350 0.001 0.000 0.191 424 E C 1.875 178.346 176.600 -0.215 0.000 0.986 424 E CA 1.010 57.318 56.400 -0.152 0.000 0.807 424 E CB 0.152 29.792 29.700 -0.101 0.000 0.766 424 E HN 0.354 nan 8.360 nan 0.000 0.450 425 E N 0.701 120.777 120.200 -0.207 0.000 2.085 425 E HA -0.193 4.157 4.350 0.001 0.000 0.194 425 E C 2.270 178.656 176.600 -0.357 0.000 0.994 425 E CA 1.011 57.251 56.400 -0.267 0.000 0.801 425 E CB -0.306 29.231 29.700 -0.272 0.000 0.743 425 E HN 0.475 nan 8.360 nan 0.000 0.453 426 I N 0.922 121.286 120.570 -0.343 0.000 2.423 426 I HA -0.267 3.904 4.170 0.001 0.000 0.254 426 I C 2.552 178.605 176.117 -0.108 0.000 1.151 426 I CA 1.219 62.395 61.300 -0.207 0.000 1.421 426 I CB -0.228 37.798 38.000 0.045 0.000 1.079 426 I HN 0.145 nan 8.210 nan 0.000 0.431 427 E N 1.449 121.360 120.200 -0.481 0.000 2.075 427 E HA -0.142 4.208 4.350 0.001 0.000 0.190 427 E C 2.029 178.381 176.600 -0.414 0.000 0.969 427 E CA 0.560 56.367 56.400 -0.988 0.000 0.815 427 E CB 0.167 29.097 29.700 -1.282 0.000 0.776 427 E HN 0.346 nan 8.360 nan 0.000 0.457 428 K N -0.020 120.195 120.400 -0.309 0.000 2.360 428 K HA -0.060 4.260 4.320 0.001 0.000 0.201 428 K C 1.839 178.355 176.600 -0.140 0.000 1.046 428 K CA 1.302 57.476 56.287 -0.188 0.000 0.945 428 K CB 0.101 32.499 32.500 -0.171 0.000 0.750 428 K HN 0.126 nan 8.250 nan 0.000 0.464 429 T N 1.425 115.873 114.554 -0.178 0.000 2.739 429 T HA 0.024 4.374 4.350 0.001 0.000 0.249 429 T C 1.775 176.485 174.700 0.016 0.000 1.050 429 T CA 0.530 62.526 62.100 -0.173 0.000 1.165 429 T CB -0.188 68.385 68.868 -0.491 0.000 0.872 429 T HN 0.062 nan 8.240 nan 0.000 0.411 430 L N 0.964 122.298 121.223 0.185 0.000 2.137 430 L HA -0.199 4.141 4.340 0.001 0.000 0.213 430 L C 2.811 179.853 176.870 0.286 0.000 1.085 430 L CA 1.477 56.533 54.840 0.359 0.000 0.760 430 L CB -0.524 41.972 42.059 0.728 0.000 0.893 430 L HN 0.205 nan 8.230 nan 0.000 0.434 431 R N -0.008 120.658 120.500 0.276 0.000 2.062 431 R HA -0.168 4.172 4.340 0.001 0.000 0.226 431 R C 2.145 178.502 176.300 0.095 0.000 1.125 431 R CA 1.521 57.755 56.100 0.223 0.000 0.966 431 R CB -0.238 30.161 30.300 0.165 0.000 0.861 431 R HN 0.288 nan 8.270 nan 0.000 0.433 432 D N 0.512 120.941 120.400 0.049 0.000 2.106 432 D HA -0.198 4.443 4.640 0.001 0.000 0.191 432 D C 1.926 178.238 176.300 0.021 0.000 0.997 432 D CA 1.273 55.283 54.000 0.017 0.000 0.834 432 D CB 0.071 40.862 40.800 -0.014 0.000 0.956 432 D HN 0.138 nan 8.370 nan 0.000 0.448 433 L N 1.169 122.410 121.223 0.030 0.000 1.955 433 L HA -0.195 4.145 4.340 0.001 0.000 0.213 433 L C 2.897 179.773 176.870 0.011 0.000 1.072 433 L CA 2.033 56.891 54.840 0.029 0.000 0.755 433 L CB -1.956 40.138 42.059 0.058 0.000 0.888 433 L HN 0.201 nan 8.230 nan 0.000 0.432 434 S N -0.524 115.170 115.700 -0.009 0.000 2.402 434 S HA -0.261 4.210 4.470 0.001 0.000 0.233 434 S C 1.370 175.962 174.600 -0.013 0.000 1.030 434 S CA 1.187 59.357 58.200 -0.049 0.000 1.003 434 S CB -0.647 62.466 63.200 -0.145 0.000 0.813 434 S HN 0.524 nan 8.310 nan 0.000 0.477 435 E N 1.332 121.539 120.200 0.011 0.000 2.545 435 E HA 0.142 4.492 4.350 0.001 0.000 0.271 435 E C 0.005 176.611 176.600 0.010 0.000 1.508 435 E CA -0.105 56.305 56.400 0.018 0.000 1.774 435 E CB -0.286 29.431 29.700 0.028 0.000 1.460 435 E HN 0.528 nan 8.360 nan 0.000 0.449 436 K N -0.257 120.146 120.400 0.005 0.000 2.562 436 K HA 0.174 4.494 4.320 0.001 0.000 0.201 436 K C 0.072 176.673 176.600 0.002 0.000 1.131 436 K CA 0.252 56.542 56.287 0.005 0.000 1.059 436 K CB 1.524 34.029 32.500 0.007 0.000 0.913 436 K HN 0.267 nan 8.250 nan 0.000 0.563 437 G N 2.218 111.018 108.800 0.000 0.000 2.473 437 G HA2 -0.233 3.727 3.960 0.001 0.000 0.289 437 G HA3 -0.233 3.727 3.960 0.001 0.000 0.289 437 G C 0.033 174.930 174.900 -0.005 0.000 1.084 437 G CA 0.073 45.172 45.100 -0.002 0.000 1.215 437 G HN 0.197 nan 8.290 nan 0.000 0.527 438 L N -0.475 120.742 121.223 -0.010 0.000 3.569 438 L HA 0.826 5.166 4.340 0.001 0.000 0.178 438 L C 1.294 178.154 176.870 -0.018 0.000 1.286 438 L CA 0.405 55.238 54.840 -0.012 0.000 0.952 438 L CB -0.226 41.826 42.059 -0.012 0.000 1.540 438 L HN 0.731 nan 8.230 nan 0.000 0.661 439 A N -0.508 122.296 122.820 -0.026 0.000 2.479 439 A HA 0.571 4.891 4.320 0.001 0.000 0.296 439 A C -0.576 176.987 177.584 -0.035 0.000 1.121 439 A CA -0.329 51.689 52.037 -0.030 0.000 0.743 439 A CB 1.512 20.494 19.000 -0.030 0.000 1.323 439 A HN 0.117 nan 8.150 nan 0.000 0.415 440 S N -0.258 115.425 115.700 -0.028 0.000 2.561 440 S HA 0.001 4.471 4.470 0.001 0.000 0.294 440 S C 1.241 175.829 174.600 -0.021 0.000 1.294 440 S CA 0.496 58.688 58.200 -0.013 0.000 1.055 440 S CB 0.140 63.335 63.200 -0.008 0.000 0.819 440 S HN 0.601 nan 8.310 nan 0.000 0.503 441 K N 3.006 123.407 120.400 0.001 0.000 2.173 441 K HA -0.221 4.099 4.320 0.001 0.000 0.207 441 K C 2.117 178.721 176.600 0.007 0.000 1.046 441 K CA 1.838 58.102 56.287 -0.037 0.000 0.929 441 K CB -0.162 32.464 32.500 0.210 0.000 0.720 441 K HN 0.637 nan 8.250 nan 0.000 0.453 442 K N 1.244 121.716 120.400 0.120 0.000 2.057 442 K HA -0.116 4.204 4.320 0.001 0.000 0.207 442 K C 0.908 177.645 176.600 0.229 0.000 1.049 442 K CA 1.188 57.602 56.287 0.211 0.000 0.931 442 K CB 0.169 32.771 32.500 0.170 0.000 0.714 442 K HN -0.067 nan 8.250 nan 0.000 0.440 443 V N 1.999 121.976 119.914 0.106 0.000 3.273 443 V HA -0.004 4.116 4.120 0.001 0.000 0.379 443 V C 0.686 176.810 176.094 0.051 0.000 1.256 443 V CA 0.057 62.433 62.300 0.125 0.000 1.455 443 V CB 0.048 31.873 31.823 0.003 0.000 1.247 443 V HN 0.179 nan 8.190 nan 0.000 0.469 444 V N -1.853 118.048 119.914 -0.022 0.000 4.454 444 V HA 0.138 4.259 4.120 0.001 0.000 0.159 444 V C 1.520 177.530 176.094 -0.140 0.000 1.262 444 V CA 0.325 62.504 62.300 -0.202 0.000 1.223 444 V CB -0.492 30.981 31.823 -0.583 0.000 1.452 444 V HN 0.370 nan 8.190 nan 0.000 0.595 445 F N 1.486 121.506 119.950 0.117 0.000 2.146 445 F HA -0.070 4.457 4.527 0.000 0.000 0.298 445 F C 2.392 178.203 175.800 0.018 0.000 1.096 445 F CA 1.524 59.556 58.000 0.054 0.000 1.275 445 F CB -0.700 38.318 39.000 0.029 0.000 1.008 445 F HN 0.196 nan 8.300 nan 0.000 0.480 446 Q N -0.088 119.852 119.800 0.233 0.000 2.444 446 Q HA 0.062 4.403 4.340 0.001 0.000 0.206 446 Q C 1.988 178.032 176.000 0.074 0.000 0.948 446 Q CA 0.133 55.989 55.803 0.089 0.000 0.946 446 Q CB 0.169 28.971 28.738 0.107 0.000 1.027 446 Q HN 0.508 nan 8.270 nan 0.000 0.513 447 L N -0.234 121.111 121.223 0.202 0.000 2.316 447 L HA 0.012 4.352 4.340 0.001 0.000 0.207 447 L C 1.593 178.622 176.870 0.266 0.000 1.070 447 L CA 0.284 55.311 54.840 0.311 0.000 0.820 447 L CB 0.339 42.547 42.059 0.249 0.000 0.992 447 L HN 0.201 nan 8.230 nan 0.000 0.466 448 I N -0.100 120.549 120.570 0.133 0.000 2.876 448 I HA -0.138 4.032 4.170 0.001 0.000 0.264 448 I C 2.488 178.591 176.117 -0.023 0.000 1.204 448 I CA 0.843 62.182 61.300 0.065 0.000 1.485 448 I CB -1.166 36.849 38.000 0.026 0.000 1.103 448 I HN 0.358 nan 8.210 nan 0.000 0.446 449 R N 1.416 121.885 120.500 -0.051 0.000 2.091 449 R HA -0.142 4.199 4.340 0.001 0.000 0.238 449 R C 2.064 178.167 176.300 -0.329 0.000 1.136 449 R CA 1.810 57.812 56.100 -0.164 0.000 0.959 449 R CB -0.355 29.856 30.300 -0.148 0.000 0.856 449 R HN 0.360 nan 8.270 nan 0.000 0.437 450 G N -1.312 107.187 108.800 -0.502 0.000 2.985 450 G HA2 0.079 4.040 3.960 0.001 0.000 0.209 450 G HA3 0.079 4.040 3.960 0.001 0.000 0.209 450 G C 1.041 175.518 174.900 -0.705 0.000 1.165 450 G CA 0.388 44.798 45.100 -1.151 0.000 0.776 450 G HN 0.429 nan 8.290 nan 0.000 0.541 451 A N 0.334 123.068 122.820 -0.144 0.000 1.997 451 A HA 0.265 4.585 4.320 0.001 0.000 0.212 451 A C 2.299 179.903 177.584 0.033 0.000 1.178 451 A CA 1.455 53.589 52.037 0.162 0.000 0.698 451 A CB -0.149 18.977 19.000 0.211 0.000 0.842 451 A HN 0.730 nan 8.150 nan 0.000 0.458 452 V N -2.967 116.868 119.914 -0.133 0.000 3.650 452 V HA 0.146 4.266 4.120 0.001 0.000 0.271 452 V C 1.330 177.155 176.094 -0.450 0.000 1.281 452 V CA 1.757 63.952 62.300 -0.176 0.000 1.120 452 V CB -0.438 31.279 31.823 -0.177 0.000 0.856 452 V HN 0.624 nan 8.190 nan 0.000 0.443 453 T N -5.238 108.906 114.554 -0.685 0.000 3.073 453 T HA 0.391 4.741 4.350 0.001 0.000 0.264 453 T C 1.637 175.597 174.700 -1.232 0.000 0.893 453 T CA 0.958 62.416 62.100 -1.070 0.000 0.863 453 T CB 0.398 68.920 68.868 -0.577 0.000 1.247 453 T HN 1.591 nan 8.240 nan 0.000 0.546 454 G N 1.913 110.154 108.800 -0.931 0.000 2.143 454 G HA2 -0.230 3.730 3.960 0.001 0.000 0.248 454 G HA3 -0.230 3.730 3.960 0.001 0.000 0.248 454 G C -0.167 174.390 174.900 -0.572 0.000 0.991 454 G CA 0.562 45.155 45.100 -0.844 0.000 0.689 454 G HN 0.766 nan 8.290 nan 0.000 0.522 455 K N -1.110 118.959 120.400 -0.551 0.000 2.350 455 K HA 0.735 5.056 4.320 0.001 0.000 0.241 455 K C 0.955 177.340 176.600 -0.357 0.000 0.994 455 K CA -1.017 55.059 56.287 -0.351 0.000 0.839 455 K CB 1.551 33.902 32.500 -0.249 0.000 1.244 455 K HN 0.007 nan 8.250 nan 0.000 0.443 456 L N 0.655 121.740 121.223 -0.230 0.000 2.616 456 L HA 0.206 4.547 4.340 0.001 0.000 0.229 456 L C -0.241 176.543 176.870 -0.144 0.000 1.110 456 L CA -0.040 54.671 54.840 -0.215 0.000 0.884 456 L CB 0.873 42.832 42.059 -0.166 0.000 1.115 456 L HN 0.190 nan 8.230 nan 0.000 0.481 457 V N 0.374 120.213 119.914 -0.125 0.000 2.398 457 V HA 0.323 4.444 4.120 0.001 0.000 0.282 457 V C 0.004 176.041 176.094 -0.096 0.000 1.014 457 V CA -0.437 61.808 62.300 -0.091 0.000 0.838 457 V CB 1.361 33.147 31.823 -0.062 0.000 1.018 457 V HN 0.267 nan 8.190 nan 0.000 0.432 458 T N 2.196 116.692 114.554 -0.095 0.000 2.910 458 T HA 0.623 4.974 4.350 0.001 0.000 0.287 458 T C -1.906 172.753 174.700 -0.068 0.000 1.050 458 T CA -1.910 60.148 62.100 -0.071 0.000 1.011 458 T CB 2.209 71.038 68.868 -0.065 0.000 1.195 458 T HN 0.241 nan 8.240 nan 0.000 0.540 459 P HA 0.067 nan 4.420 nan 0.000 0.211 459 P C 1.048 178.303 177.300 -0.075 0.000 1.181 459 P CA 1.802 64.849 63.100 -0.089 0.000 0.929 459 P CB -0.340 31.292 31.700 -0.113 0.000 0.789 460 G N -3.779 104.987 108.800 -0.057 0.000 2.710 460 G HA2 0.470 4.430 3.960 0.001 0.000 0.198 460 G HA3 0.470 4.430 3.960 0.001 0.000 0.198 460 G C 0.008 174.809 174.900 -0.164 0.000 1.797 460 G CA 0.639 45.682 45.100 -0.094 0.000 0.759 460 G HN 0.312 nan 8.290 nan 0.000 0.808 461 L N -3.115 118.000 121.223 -0.180 0.000 1.307 461 L HA 0.278 4.618 4.340 0.001 0.000 0.040 461 L C 1.385 178.158 176.870 -0.161 0.000 1.626 461 L CA 0.312 54.983 54.840 -0.282 0.000 1.054 461 L CB -1.118 40.562 42.059 -0.632 0.000 2.036 461 L HN 0.210 nan 8.230 nan 0.000 0.416 462 F N 2.399 122.373 119.950 0.041 0.000 2.307 462 F HA -0.039 4.488 4.527 0.001 0.000 0.301 462 F C 2.331 178.165 175.800 0.057 0.000 1.076 462 F CA 1.632 59.656 58.000 0.040 0.000 1.383 462 F CB -0.629 38.368 39.000 -0.004 0.000 1.055 462 F HN 0.567 nan 8.300 nan 0.000 0.526 463 E N -1.231 119.080 120.200 0.185 0.000 2.201 463 E HA -0.041 4.309 4.350 0.001 0.000 0.193 463 E C 1.697 178.407 176.600 0.183 0.000 0.957 463 E CA 1.080 57.580 56.400 0.166 0.000 0.858 463 E CB -0.866 28.899 29.700 0.108 0.000 0.816 463 E HN 0.165 nan 8.360 nan 0.000 0.475 464 T N 1.575 116.214 114.554 0.142 0.000 2.929 464 T HA 0.000 4.351 4.350 0.001 0.000 0.271 464 T C 1.811 176.609 174.700 0.164 0.000 1.085 464 T CA 0.931 63.148 62.100 0.195 0.000 1.125 464 T CB -0.107 68.836 68.868 0.125 0.000 0.874 464 T HN 0.182 nan 8.240 nan 0.000 0.494 465 I N 0.366 121.049 120.570 0.188 0.000 2.585 465 I HA -0.005 4.166 4.170 0.001 0.000 0.254 465 I C 2.657 179.108 176.117 0.557 0.000 1.129 465 I CA 0.832 62.301 61.300 0.281 0.000 1.455 465 I CB -0.235 37.913 38.000 0.248 0.000 1.111 465 I HN 0.271 nan 8.210 nan 0.000 0.433 466 E N 1.323 121.848 120.200 0.542 0.000 2.007 466 E HA -0.250 4.100 4.350 0.001 0.000 0.194 466 E C 2.347 179.219 176.600 0.453 0.000 0.999 466 E CA 1.741 58.586 56.400 0.742 0.000 0.811 466 E CB -0.074 29.890 29.700 0.439 0.000 0.762 466 E HN 0.199 nan 8.360 nan 0.000 0.450 467 V N 1.257 121.377 119.914 0.343 0.000 2.363 467 V HA -0.293 3.828 4.120 0.001 0.000 0.254 467 V C 2.216 178.535 176.094 0.376 0.000 1.074 467 V CA 1.896 64.399 62.300 0.338 0.000 1.069 467 V CB -0.359 31.672 31.823 0.347 0.000 0.659 467 V HN 0.325 nan 8.190 nan 0.000 0.455 468 L N 0.098 121.480 121.223 0.267 0.000 1.961 468 L HA 0.281 4.622 4.340 0.001 0.000 0.210 468 L C 1.242 178.061 176.870 -0.085 0.000 1.072 468 L CA 1.314 56.211 54.840 0.095 0.000 0.749 468 L CB -0.864 41.189 42.059 -0.010 0.000 0.889 468 L HN 0.618 nan 8.230 nan 0.000 0.432 469 G N -1.059 107.636 108.800 -0.175 0.000 2.465 469 G HA2 -0.148 3.813 3.960 0.001 0.000 0.681 469 G HA3 -0.148 3.813 3.960 0.001 0.000 0.681 469 G C -0.117 174.255 174.900 -0.881 0.000 1.340 469 G CA -0.090 44.694 45.100 -0.528 0.000 0.884 469 G HN 0.062 nan 8.290 nan 0.000 0.650 470 K N -0.052 119.538 120.400 -1.350 0.000 2.442 470 K HA -0.090 4.231 4.320 0.001 0.000 0.198 470 K C 2.184 178.516 176.600 -0.448 0.000 1.042 470 K CA 2.021 57.567 56.287 -1.236 0.000 0.958 470 K CB 0.077 32.095 32.500 -0.804 0.000 0.766 470 K HN 0.552 nan 8.250 nan 0.000 0.474 471 E N 0.041 120.027 120.200 -0.357 0.000 2.201 471 E HA -0.130 4.221 4.350 0.001 0.000 0.193 471 E C 1.447 177.948 176.600 -0.165 0.000 0.957 471 E CA 0.634 56.915 56.400 -0.198 0.000 0.858 471 E CB -0.291 29.305 29.700 -0.173 0.000 0.816 471 E HN 0.123 nan 8.360 nan 0.000 0.475 472 R N 0.497 120.876 120.500 -0.203 0.000 2.319 472 R HA 0.130 4.470 4.340 0.001 0.000 0.204 472 R C 0.589 176.822 176.300 -0.111 0.000 0.954 472 R CA 0.758 56.764 56.100 -0.157 0.000 1.066 472 R CB 0.156 30.339 30.300 -0.194 0.000 0.991 472 R HN 0.159 nan 8.270 nan 0.000 0.486 473 T N -0.529 113.966 114.554 -0.098 0.000 3.182 473 T HA 0.120 4.470 4.350 0.001 0.000 0.244 473 T C 1.547 176.249 174.700 0.004 0.000 0.981 473 T CA -0.043 62.047 62.100 -0.016 0.000 1.182 473 T CB 0.075 69.017 68.868 0.124 0.000 1.043 473 T HN 0.056 nan 8.240 nan 0.000 0.424 474 L N 1.151 122.387 121.223 0.022 0.000 2.079 474 L HA -0.067 4.273 4.340 0.001 0.000 0.210 474 L C 2.568 179.448 176.870 0.017 0.000 1.081 474 L CA 1.075 55.942 54.840 0.046 0.000 0.752 474 L CB -0.449 41.648 42.059 0.063 0.000 0.896 474 L HN 0.097 nan 8.230 nan 0.000 0.433 475 K N -0.011 120.381 120.400 -0.013 0.000 2.167 475 K HA -0.106 4.215 4.320 0.001 0.000 0.203 475 K C 2.135 178.727 176.600 -0.013 0.000 1.052 475 K CA 0.899 57.175 56.287 -0.018 0.000 0.956 475 K CB -0.162 32.312 32.500 -0.043 0.000 0.735 475 K HN 0.248 nan 8.250 nan 0.000 0.451 476 R N 0.738 121.229 120.500 -0.014 0.000 2.153 476 R HA 0.004 4.344 4.340 0.001 0.000 0.218 476 R C 1.937 178.265 176.300 0.048 0.000 1.072 476 R CA 0.429 56.532 56.100 0.004 0.000 0.990 476 R CB -0.030 30.271 30.300 0.001 0.000 0.889 476 R HN -0.016 nan 8.270 nan 0.000 0.452 477 L N 1.033 122.279 121.223 0.038 0.000 2.492 477 L HA 0.051 4.392 4.340 0.001 0.000 0.223 477 L C 1.721 178.636 176.870 0.075 0.000 1.132 477 L CA 1.381 56.257 54.840 0.060 0.000 0.850 477 L CB 0.082 42.154 42.059 0.023 0.000 0.966 477 L HN 0.138 nan 8.230 nan 0.000 0.454 478 E N -0.009 120.225 120.200 0.056 0.000 2.072 478 E HA -0.206 4.144 4.350 0.001 0.000 0.190 478 E C 2.387 179.027 176.600 0.067 0.000 0.982 478 E CA 1.193 57.624 56.400 0.053 0.000 0.803 478 E CB -0.164 29.554 29.700 0.031 0.000 0.755 478 E HN 0.423 nan 8.360 nan 0.000 0.453 479 R N -0.275 120.267 120.500 0.070 0.000 2.083 479 R HA -0.138 4.202 4.340 0.001 0.000 0.237 479 R C 1.962 178.353 176.300 0.152 0.000 1.137 479 R CA 2.098 58.249 56.100 0.085 0.000 0.951 479 R CB -0.691 29.641 30.300 0.054 0.000 0.851 479 R HN 0.210 nan 8.270 nan 0.000 0.434 480 T N 1.988 116.673 114.554 0.217 0.000 2.653 480 T HA -0.211 4.140 4.350 0.001 0.000 0.268 480 T C 1.849 176.668 174.700 0.198 0.000 1.035 480 T CA 1.868 64.138 62.100 0.284 0.000 1.154 480 T CB -0.255 68.809 68.868 0.327 0.000 0.862 480 T HN 0.211 nan 8.240 nan 0.000 0.441 481 L N 0.619 121.921 121.223 0.131 0.000 2.017 481 L HA -0.139 4.201 4.340 0.001 0.000 0.208 481 L C 3.046 179.948 176.870 0.054 0.000 1.073 481 L CA 1.131 56.017 54.840 0.078 0.000 0.745 481 L CB -0.552 41.543 42.059 0.060 0.000 0.894 481 L HN 0.195 nan 8.230 nan 0.000 0.432 482 Q N -0.762 119.078 119.800 0.068 0.000 2.167 482 Q HA -0.193 4.147 4.340 0.001 0.000 0.202 482 Q C 2.074 178.111 176.000 0.062 0.000 0.970 482 Q CA 1.387 57.221 55.803 0.050 0.000 0.855 482 Q CB -0.502 28.267 28.738 0.053 0.000 0.911 482 Q HN 0.427 nan 8.270 nan 0.000 0.438 483 F N 1.080 120.974 119.950 -0.093 0.000 2.293 483 F HA -0.132 4.396 4.527 0.000 0.000 0.300 483 F C 1.738 177.447 175.800 -0.151 0.000 1.086 483 F CA 0.609 58.505 58.000 -0.174 0.000 1.375 483 F CB -0.065 38.704 39.000 -0.384 0.000 1.045 483 F HN 0.090 nan 8.300 nan 0.000 0.516 484 L N 0.261 121.364 121.223 -0.200 0.000 2.418 484 L HA 0.050 4.391 4.340 0.001 0.000 0.218 484 L C 1.764 178.519 176.870 -0.192 0.000 1.125 484 L CA 1.439 56.120 54.840 -0.265 0.000 0.835 484 L CB -0.728 41.260 42.059 -0.119 0.000 0.953 484 L HN 0.002 nan 8.230 nan 0.000 0.454 485 K N -0.481 119.845 120.400 -0.123 0.000 2.323 485 K HA 0.120 4.440 4.320 0.001 0.000 0.197 485 K C 0.051 176.596 176.600 -0.092 0.000 1.043 485 K CA -0.093 56.143 56.287 -0.084 0.000 0.997 485 K CB 0.254 32.730 32.500 -0.040 0.000 0.807 485 K HN 0.127 nan 8.250 nan 0.000 0.497 486 K N 0.000 120.331 120.400 -0.114 0.000 2.780 486 K HA 0.000 4.320 4.320 0.001 0.000 0.191 486 K CA 0.000 56.233 56.287 -0.090 0.000 0.838 486 K CB 0.000 32.434 32.500 -0.111 0.000 1.064 486 K HN 0.000 nan 8.250 nan 0.000 0.543