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 3ial_1_A DATA FIRST_RESID 38 DATA SEQUENCE TFSLTKTRDT FADWFDAIMD AAELVDRRYP VKGCVVFRPY GFFMENAIMR DATA SEQUENCE LCEEEYAKVG ISQILFPTVI PESFLKKESD HIKGFEAECF WVEKGGLQPL DATA SEQUENCE EERLALRPTS ETAIYSMFSK WVRSYKDLPL KIHQTCTIFR HETKNTKPLI DATA SEQUENCE RVREIHWNEA HCCHATAEDA VSQLSDYWKV IDTIFSDELC FKGQKLRRVC DATA SEQUENCE WDRFPGADYS EVSDVVMPCG RVLQTAGIHN LGQRFSSTFD ILYANKANES DATA SEQUENCE VHPYLTCAGI STRVLACALS IHGDSGGLVL PPLIAPIHVV IIPIGCGKKN DATA SEQUENCE NQESDQQVLG KVNEIADTLK SKLGLRVSID DDFSKSMGDK LYYYELKGVP DATA SEQUENCE LRIEVGQRDL ANGQCIVVPR DVGKDQKRVI PITEVMKVSX XXXXXXXXVV DATA SEQUENCE KNVIKDELDA YKARLKEKAF AFHNSMVTNC KSFDEIVACI ENKGGLARFP DATA SEQUENCE FYTTEADGEV WDKKLKDACS AEIRGHNPDE NVLPGEVCAL SGKPAVCYMY DATA SEQUENCE CAKSY 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 38 T HA 0.000 nan 4.350 nan 0.000 0.228 38 T C 0.000 174.803 174.700 0.172 0.000 1.109 38 T CA 0.000 62.120 62.100 0.034 0.000 1.349 38 T CB 0.000 68.752 68.868 -0.194 0.000 0.612 39 F N 4.452 124.565 119.950 0.271 0.000 2.421 39 F HA 0.652 5.178 4.527 -0.000 0.000 0.358 39 F C 0.659 176.583 175.800 0.208 0.000 1.115 39 F CA 0.073 58.178 58.000 0.176 0.000 1.160 39 F CB 1.201 40.240 39.000 0.064 0.000 1.123 39 F HN 0.466 nan 8.300 nan 0.000 0.508 40 S N 7.391 122.947 115.700 -0.240 0.000 2.607 40 S HA 0.356 4.826 4.470 -0.000 0.000 0.196 40 S C -1.259 173.223 174.600 -0.197 0.000 0.911 40 S CA -0.566 57.592 58.200 -0.069 0.000 1.133 40 S CB -0.514 62.719 63.200 0.055 0.000 1.612 40 S HN 0.556 nan 8.310 nan 0.000 0.437 41 L N 2.059 123.001 121.223 -0.468 0.000 2.275 41 L HA 0.501 4.841 4.340 -0.000 0.000 0.288 41 L C 0.945 177.893 176.870 0.130 0.000 1.046 41 L CA -0.626 54.091 54.840 -0.204 0.000 0.805 41 L CB 1.428 43.286 42.059 -0.335 0.000 1.193 41 L HN 0.239 nan 8.230 nan 0.000 0.426 42 T N 2.615 117.234 114.554 0.109 0.000 2.926 42 T HA 0.024 4.374 4.350 -0.000 0.000 0.307 42 T C 0.071 174.835 174.700 0.107 0.000 1.059 42 T CA -0.081 62.088 62.100 0.115 0.000 1.122 42 T CB 0.370 69.274 68.868 0.061 0.000 0.972 42 T HN 0.501 nan 8.240 nan 0.000 0.545 43 K N 3.803 124.180 120.400 -0.039 0.000 2.357 43 K HA 0.337 4.657 4.320 -0.000 0.000 0.251 43 K C -0.050 176.468 176.600 -0.138 0.000 1.069 43 K CA -0.546 55.583 56.287 -0.264 0.000 0.994 43 K CB 0.162 32.196 32.500 -0.777 0.000 1.411 43 K HN 0.831 nan 8.250 nan 0.000 0.450 44 T N -0.909 113.631 114.554 -0.023 0.000 2.905 44 T HA 0.295 4.645 4.350 -0.000 0.000 0.283 44 T C 1.151 175.881 174.700 0.050 0.000 1.031 44 T CA -0.898 61.204 62.100 0.002 0.000 1.002 44 T CB 1.585 70.470 68.868 0.028 0.000 1.200 44 T HN 0.529 nan 8.240 nan 0.000 0.560 45 R N 0.015 120.542 120.500 0.045 0.000 2.127 45 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 45 R C 1.242 177.601 176.300 0.099 0.000 1.134 45 R CA 2.000 58.141 56.100 0.067 0.000 0.975 45 R CB -0.331 30.000 30.300 0.052 0.000 0.865 45 R HN 0.671 nan 8.270 nan 0.000 0.447 46 D N -1.311 119.139 120.400 0.084 0.000 2.240 46 D HA -0.069 4.571 4.640 -0.000 0.000 0.206 46 D C 1.552 177.915 176.300 0.106 0.000 0.963 46 D CA 1.639 55.688 54.000 0.081 0.000 0.863 46 D CB 0.222 41.055 40.800 0.056 0.000 0.973 46 D HN 0.389 nan 8.370 nan 0.000 0.501 47 T N -1.841 112.787 114.554 0.124 0.000 3.086 47 T HA -0.002 4.348 4.350 -0.000 0.000 0.250 47 T C 1.691 176.521 174.700 0.217 0.000 1.074 47 T CA -0.376 61.811 62.100 0.144 0.000 0.988 47 T CB -0.392 68.552 68.868 0.128 0.000 0.988 47 T HN -0.055 nan 8.240 nan 0.000 0.530 48 F N 3.085 123.102 119.950 0.112 0.000 2.095 48 F HA 0.088 4.615 4.527 -0.000 0.000 0.298 48 F C 2.465 178.451 175.800 0.310 0.000 1.104 48 F CA 0.988 59.087 58.000 0.165 0.000 1.232 48 F CB -0.890 38.145 39.000 0.059 0.000 0.987 48 F HN 0.274 nan 8.300 nan 0.000 0.475 49 A N 0.270 123.109 122.820 0.031 0.000 1.892 49 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 49 A C 2.039 179.628 177.584 0.009 0.000 1.188 49 A CA 2.212 54.228 52.037 -0.034 0.000 0.631 49 A CB -1.128 17.922 19.000 0.082 0.000 0.822 49 A HN 0.506 nan 8.150 nan 0.000 0.447 50 D N -1.851 118.591 120.400 0.071 0.000 2.123 50 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 50 D C 1.629 178.001 176.300 0.120 0.000 0.976 50 D CA 1.161 55.211 54.000 0.084 0.000 0.831 50 D CB -0.510 40.334 40.800 0.074 0.000 0.974 50 D HN 0.765 nan 8.370 nan 0.000 0.469 51 W N 0.858 122.139 121.300 -0.031 0.000 2.321 51 W HA -0.268 4.392 4.660 -0.000 0.000 0.306 51 W C 2.077 178.630 176.519 0.057 0.000 1.217 51 W CA 1.279 58.656 57.345 0.053 0.000 1.257 51 W CB -0.494 29.020 29.460 0.090 0.000 1.145 51 W HN -0.081 nan 8.180 nan 0.000 0.509 52 F N 1.511 121.452 119.950 -0.015 0.000 2.113 52 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 52 F C 2.208 177.902 175.800 -0.177 0.000 1.103 52 F CA 2.401 60.303 58.000 -0.163 0.000 1.248 52 F CB -0.673 38.102 39.000 -0.375 0.000 0.999 52 F HN -0.233 nan 8.300 nan 0.000 0.475 53 D N 0.541 120.976 120.400 0.059 0.000 2.097 53 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 53 D C 2.376 178.611 176.300 -0.108 0.000 0.989 53 D CA 1.550 55.542 54.000 -0.014 0.000 0.827 53 D CB -0.770 40.062 40.800 0.054 0.000 0.966 53 D HN 0.384 nan 8.370 nan 0.000 0.456 54 A N 0.757 123.536 122.820 -0.068 0.000 1.877 54 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 54 A C 2.219 179.742 177.584 -0.102 0.000 1.186 54 A CA 1.006 53.041 52.037 -0.002 0.000 0.620 54 A CB -0.583 18.481 19.000 0.106 0.000 0.822 54 A HN 0.195 nan 8.150 nan 0.000 0.443 55 I N -0.817 119.524 120.570 -0.381 0.000 2.617 55 I HA -0.124 4.046 4.170 -0.000 0.000 0.256 55 I C 2.177 177.957 176.117 -0.561 0.000 1.167 55 I CA 0.916 61.759 61.300 -0.762 0.000 1.469 55 I CB -0.316 36.923 38.000 -1.269 0.000 1.098 55 I HN 0.202 nan 8.210 nan 0.000 0.436 56 M N -0.065 119.225 119.600 -0.516 0.000 2.106 56 M HA -0.230 4.250 4.480 -0.000 0.000 0.259 56 M C 1.763 177.910 176.300 -0.255 0.000 1.068 56 M CA 1.737 56.795 55.300 -0.403 0.000 1.100 56 M CB -1.324 31.038 32.600 -0.398 0.000 1.351 56 M HN 0.230 nan 8.290 nan 0.000 0.404 57 D N -0.056 120.219 120.400 -0.209 0.000 2.144 57 D HA 0.056 4.696 4.640 -0.000 0.000 0.207 57 D C 2.042 178.261 176.300 -0.136 0.000 0.970 57 D CA 1.486 55.407 54.000 -0.132 0.000 0.853 57 D CB -0.313 40.439 40.800 -0.080 0.000 1.007 57 D HN 0.282 nan 8.370 nan 0.000 0.469 58 A N 1.025 123.745 122.820 -0.165 0.000 1.933 58 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 58 A C 2.157 179.586 177.584 -0.257 0.000 1.175 58 A CA 2.028 53.967 52.037 -0.163 0.000 0.628 58 A CB -0.518 18.389 19.000 -0.154 0.000 0.814 58 A HN 0.230 nan 8.150 nan 0.000 0.444 59 A N -1.334 121.280 122.820 -0.344 0.000 2.208 59 A HA 0.270 4.590 4.320 -0.000 0.000 0.209 59 A C 0.648 178.088 177.584 -0.240 0.000 1.161 59 A CA 0.764 52.581 52.037 -0.367 0.000 0.782 59 A CB -0.405 18.381 19.000 -0.357 0.000 0.816 59 A HN 0.566 nan 8.150 nan 0.000 0.477 60 E N -1.151 118.956 120.200 -0.155 0.000 2.320 60 E HA -0.211 4.139 4.350 -0.000 0.000 0.234 60 E C 0.480 177.086 176.600 0.010 0.000 1.183 60 E CA 0.488 56.847 56.400 -0.068 0.000 0.713 60 E CB -1.975 27.694 29.700 -0.053 0.000 1.226 60 E HN 0.689 nan 8.360 nan 0.000 0.382 61 L N -0.711 120.504 121.223 -0.013 0.000 2.068 61 L HA 0.026 4.366 4.340 -0.000 0.000 0.204 61 L C 1.397 178.295 176.870 0.047 0.000 1.076 61 L CA 1.419 56.294 54.840 0.058 0.000 0.753 61 L CB -0.111 41.936 42.059 -0.020 0.000 0.910 61 L HN 0.232 nan 8.230 nan 0.000 0.439 62 V N -5.110 114.768 119.914 -0.060 0.000 3.158 62 V HA 0.563 4.683 4.120 -0.000 0.000 0.311 62 V C -1.509 174.535 176.094 -0.083 0.000 1.181 62 V CA -0.965 61.264 62.300 -0.118 0.000 1.054 62 V CB 2.568 34.244 31.823 -0.245 0.000 1.085 62 V HN -0.087 nan 8.190 nan 0.000 0.446 63 D N 0.218 120.571 120.400 -0.078 0.000 2.505 63 D HA 0.435 5.075 4.640 -0.000 0.000 0.250 63 D C 0.533 176.827 176.300 -0.011 0.000 1.164 63 D CA -0.442 53.540 54.000 -0.030 0.000 0.870 63 D CB 2.263 43.065 40.800 0.003 0.000 1.160 63 D HN 0.614 nan 8.370 nan 0.000 0.549 64 R N 1.789 122.285 120.500 -0.006 0.000 2.307 64 R HA 0.090 4.430 4.340 -0.000 0.000 0.199 64 R C 1.385 177.718 176.300 0.055 0.000 1.000 64 R CA 0.423 56.535 56.100 0.019 0.000 1.023 64 R CB 0.478 30.783 30.300 0.009 0.000 0.908 64 R HN 0.240 nan 8.270 nan 0.000 0.473 65 R N -0.577 119.956 120.500 0.056 0.000 2.323 65 R HA -0.038 4.302 4.340 -0.000 0.000 0.198 65 R C -0.102 176.245 176.300 0.077 0.000 0.988 65 R CA 0.067 56.198 56.100 0.052 0.000 1.041 65 R CB -0.021 30.299 30.300 0.032 0.000 0.926 65 R HN 0.094 nan 8.270 nan 0.000 0.476 66 Y N 3.869 124.164 120.300 -0.009 0.000 2.569 66 Y HA 0.042 4.592 4.550 -0.000 0.000 0.332 66 Y C -1.622 174.282 175.900 0.007 0.000 1.120 66 Y CA -2.480 55.618 58.100 -0.002 0.000 1.416 66 Y CB 0.796 39.251 38.460 -0.008 0.000 1.210 66 Y HN -0.036 nan 8.280 nan 0.000 0.528 67 P HA 0.065 nan 4.420 nan 0.000 0.235 67 P C -1.168 176.071 177.300 -0.101 0.000 1.725 67 P CA 0.371 63.383 63.100 -0.147 0.000 0.894 67 P CB -0.151 31.452 31.700 -0.161 0.000 1.704 68 V N 0.446 120.362 119.914 0.005 0.000 2.444 68 V HA 0.245 4.365 4.120 -0.000 0.000 0.294 68 V C 0.605 176.794 176.094 0.157 0.000 1.022 68 V CA -1.197 61.171 62.300 0.113 0.000 0.850 68 V CB 2.187 34.125 31.823 0.191 0.000 0.992 68 V HN 0.059 nan 8.190 nan 0.000 0.426 69 K N 3.209 123.690 120.400 0.134 0.000 2.451 69 K HA 0.346 4.666 4.320 -0.000 0.000 0.280 69 K C 1.204 177.883 176.600 0.132 0.000 1.020 69 K CA 1.145 57.501 56.287 0.115 0.000 1.008 69 K CB 0.271 32.828 32.500 0.095 0.000 0.917 69 K HN 1.176 nan 8.250 nan 0.000 0.478 70 G N 2.894 111.754 108.800 0.100 0.000 2.168 70 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.263 70 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.263 70 G C -0.164 174.779 174.900 0.072 0.000 0.977 70 G CA 0.253 45.404 45.100 0.085 0.000 0.659 70 G HN 0.630 nan 8.290 nan 0.000 0.533 71 C N 1.318 120.675 119.300 0.095 0.000 2.301 71 C HA 0.665 5.125 4.460 -0.000 0.000 0.313 71 C C 0.725 175.726 174.990 0.018 0.000 1.121 71 C CA -0.543 58.509 59.018 0.057 0.000 1.507 71 C CB -0.026 27.795 27.740 0.136 0.000 1.975 71 C HN 0.937 nan 8.230 nan 0.000 0.425 72 V N 2.343 122.201 119.914 -0.094 0.000 2.732 72 V HA 0.803 4.923 4.120 -0.000 0.000 0.310 72 V C -0.179 175.766 176.094 -0.249 0.000 1.053 72 V CA -0.451 61.766 62.300 -0.138 0.000 0.957 72 V CB 1.551 33.273 31.823 -0.168 0.000 1.018 72 V HN 0.403 nan 8.190 nan 0.000 0.452 73 V N 3.862 123.649 119.914 -0.211 0.000 2.583 73 V HA 0.305 4.425 4.120 -0.000 0.000 0.287 73 V C -0.090 175.911 176.094 -0.156 0.000 1.051 73 V CA 0.013 62.201 62.300 -0.186 0.000 1.010 73 V CB 0.778 32.532 31.823 -0.114 0.000 0.988 73 V HN 0.748 nan 8.190 nan 0.000 0.478 74 F N 5.202 125.113 119.950 -0.064 0.000 2.404 74 F HA 0.416 4.943 4.527 -0.000 0.000 0.359 74 F C 1.087 176.891 175.800 0.007 0.000 1.134 74 F CA -0.112 57.895 58.000 0.013 0.000 1.160 74 F CB 0.348 39.414 39.000 0.111 0.000 1.186 74 F HN 0.415 nan 8.300 nan 0.000 0.526 75 R N 4.846 125.471 120.500 0.209 0.000 2.649 75 R HA 0.175 4.515 4.340 -0.000 0.000 0.270 75 R C -1.452 174.981 176.300 0.222 0.000 1.105 75 R CA -1.393 54.797 56.100 0.150 0.000 1.193 75 R CB -0.021 30.337 30.300 0.097 0.000 1.120 75 R HN 0.286 nan 8.270 nan 0.000 0.561 76 P HA -0.223 nan 4.420 nan 0.000 0.215 76 P C 0.841 178.303 177.300 0.270 0.000 1.157 76 P CA 1.453 64.680 63.100 0.213 0.000 0.874 76 P CB -0.051 31.745 31.700 0.160 0.000 0.790 77 Y N 0.142 120.509 120.300 0.110 0.000 2.242 77 Y HA -0.053 4.496 4.550 -0.000 0.000 0.291 77 Y C 2.476 178.448 175.900 0.120 0.000 1.137 77 Y CA 1.984 60.127 58.100 0.072 0.000 1.181 77 Y CB -0.931 37.527 38.460 -0.004 0.000 0.989 77 Y HN -0.126 nan 8.280 nan 0.000 0.527 78 G N -1.269 107.687 108.800 0.260 0.000 2.394 78 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.215 78 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.215 78 G C 1.572 176.602 174.900 0.216 0.000 1.165 78 G CA 0.592 45.844 45.100 0.253 0.000 0.784 78 G HN 0.460 nan 8.290 nan 0.000 0.535 79 F N 0.663 120.664 119.950 0.086 0.000 2.234 79 F HA 0.099 4.626 4.527 -0.000 0.000 0.299 79 F C 2.083 177.775 175.800 -0.180 0.000 1.087 79 F CA 0.736 58.617 58.000 -0.198 0.000 1.340 79 F CB -0.237 38.674 39.000 -0.149 0.000 1.031 79 F HN 0.145 nan 8.300 nan 0.000 0.500 80 F N 0.587 120.448 119.950 -0.147 0.000 2.120 80 F HA -0.325 4.202 4.527 -0.000 0.000 0.300 80 F C 2.137 177.735 175.800 -0.336 0.000 1.095 80 F CA 2.199 60.055 58.000 -0.239 0.000 1.249 80 F CB -0.308 38.570 39.000 -0.204 0.000 0.995 80 F HN -0.028 nan 8.300 nan 0.000 0.480 81 M N -0.348 119.190 119.600 -0.103 0.000 2.077 81 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 81 M C 2.184 178.319 176.300 -0.274 0.000 1.070 81 M CA 2.053 57.284 55.300 -0.114 0.000 1.125 81 M CB -0.709 31.875 32.600 -0.027 0.000 1.339 81 M HN 0.075 nan 8.290 nan 0.000 0.409 82 E N 1.135 121.100 120.200 -0.392 0.000 2.085 82 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 82 E C 1.619 177.883 176.600 -0.561 0.000 0.994 82 E CA 1.638 57.756 56.400 -0.470 0.000 0.801 82 E CB -0.355 28.845 29.700 -0.833 0.000 0.743 82 E HN 0.441 nan 8.360 nan 0.000 0.453 83 N N -0.685 117.476 118.700 -0.897 0.000 2.142 83 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 83 N C 1.723 176.925 175.510 -0.512 0.000 1.023 83 N CA 1.166 53.741 53.050 -0.791 0.000 0.852 83 N CB -0.136 37.717 38.487 -1.057 0.000 0.998 83 N HN 0.276 nan 8.380 nan 0.000 0.424 84 A N 1.413 123.891 122.820 -0.571 0.000 1.908 84 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 84 A C 2.200 179.648 177.584 -0.226 0.000 1.181 84 A CA 0.937 52.725 52.037 -0.416 0.000 0.627 84 A CB -0.559 18.196 19.000 -0.408 0.000 0.818 84 A HN 0.325 nan 8.150 nan 0.000 0.445 85 I N -0.858 119.599 120.570 -0.188 0.000 2.202 85 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 85 I C 2.568 178.622 176.117 -0.105 0.000 1.091 85 I CA 1.093 62.334 61.300 -0.098 0.000 1.368 85 I CB -0.275 37.698 38.000 -0.045 0.000 1.058 85 I HN 0.265 nan 8.210 nan 0.000 0.410 86 M N -0.026 119.504 119.600 -0.117 0.000 2.200 86 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 86 M C 2.334 178.579 176.300 -0.091 0.000 1.066 86 M CA 1.438 56.686 55.300 -0.086 0.000 1.127 86 M CB -1.140 31.444 32.600 -0.027 0.000 1.379 86 M HN 0.173 nan 8.290 nan 0.000 0.420 87 R N 0.422 120.853 120.500 -0.114 0.000 2.091 87 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 87 R C 2.233 178.477 176.300 -0.094 0.000 1.136 87 R CA 1.144 57.189 56.100 -0.093 0.000 0.959 87 R CB -1.442 28.784 30.300 -0.124 0.000 0.856 87 R HN 0.308 nan 8.270 nan 0.000 0.437 88 L N 0.758 121.913 121.223 -0.112 0.000 2.012 88 L HA -0.186 4.153 4.340 -0.000 0.000 0.210 88 L C 2.586 179.354 176.870 -0.171 0.000 1.073 88 L CA 1.692 56.465 54.840 -0.112 0.000 0.748 88 L CB -0.878 41.126 42.059 -0.091 0.000 0.891 88 L HN 0.226 nan 8.230 nan 0.000 0.431 89 C N -0.035 119.131 119.300 -0.223 0.000 2.432 89 C HA -0.164 4.296 4.460 -0.000 0.000 0.277 89 C C 2.625 177.335 174.990 -0.467 0.000 1.249 89 C CA 1.304 60.065 59.018 -0.429 0.000 1.725 89 C CB -0.894 26.599 27.740 -0.411 0.000 2.028 89 C HN 0.688 nan 8.230 nan 0.000 0.477 90 E N 0.253 120.334 120.200 -0.198 0.000 2.058 90 E HA -0.242 4.107 4.350 -0.000 0.000 0.194 90 E C 2.095 178.685 176.600 -0.018 0.000 0.997 90 E CA 1.810 58.202 56.400 -0.013 0.000 0.801 90 E CB -0.240 29.543 29.700 0.139 0.000 0.746 90 E HN 0.710 nan 8.360 nan 0.000 0.450 91 E N 0.429 120.600 120.200 -0.049 0.000 2.077 91 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 91 E C 2.113 178.686 176.600 -0.045 0.000 0.989 91 E CA 0.893 57.275 56.400 -0.030 0.000 0.800 91 E CB 0.066 29.742 29.700 -0.040 0.000 0.746 91 E HN 0.183 nan 8.360 nan 0.000 0.452 92 E N 0.096 120.226 120.200 -0.116 0.000 2.072 92 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 92 E C 1.996 178.576 176.600 -0.034 0.000 0.985 92 E CA 0.899 57.233 56.400 -0.110 0.000 0.801 92 E CB -0.278 29.307 29.700 -0.192 0.000 0.750 92 E HN 0.346 nan 8.360 nan 0.000 0.452 93 Y N 1.108 121.310 120.300 -0.163 0.000 2.128 93 Y HA -0.141 4.409 4.550 -0.000 0.000 0.284 93 Y C 2.487 178.336 175.900 -0.085 0.000 1.154 93 Y CA 0.590 58.573 58.100 -0.196 0.000 1.149 93 Y CB -1.221 36.926 38.460 -0.521 0.000 0.976 93 Y HN 0.014 nan 8.280 nan 0.000 0.505 94 A N 0.099 122.997 122.820 0.130 0.000 1.948 94 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 94 A C 2.243 179.861 177.584 0.058 0.000 1.177 94 A CA 2.035 54.136 52.037 0.108 0.000 0.636 94 A CB -0.622 18.436 19.000 0.097 0.000 0.815 94 A HN 0.448 nan 8.150 nan 0.000 0.449 95 K N -0.534 119.889 120.400 0.038 0.000 2.283 95 K HA -0.033 4.287 4.320 -0.000 0.000 0.202 95 K C 1.043 177.653 176.600 0.016 0.000 1.048 95 K CA 1.329 57.626 56.287 0.018 0.000 0.948 95 K CB -0.089 32.413 32.500 0.003 0.000 0.742 95 K HN 0.551 nan 8.250 nan 0.000 0.458 96 V N -3.357 116.576 119.914 0.031 0.000 3.043 96 V HA 0.452 4.572 4.120 -0.000 0.000 0.357 96 V C 0.561 176.658 176.094 0.005 0.000 1.372 96 V CA -0.029 62.279 62.300 0.014 0.000 1.214 96 V CB -0.078 31.753 31.823 0.014 0.000 1.224 96 V HN 0.310 nan 8.190 nan 0.000 0.507 97 G N 1.292 110.101 108.800 0.015 0.000 2.137 97 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.237 97 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.237 97 G C -0.155 174.750 174.900 0.008 0.000 1.002 97 G CA 0.342 45.445 45.100 0.004 0.000 0.702 97 G HN 0.694 nan 8.290 nan 0.000 0.515 98 I N 1.518 122.111 120.570 0.038 0.000 2.330 98 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 98 I C 0.315 176.561 176.117 0.215 0.000 1.001 98 I CA -0.549 60.788 61.300 0.062 0.000 1.193 98 I CB 1.651 39.598 38.000 -0.089 0.000 1.345 98 I HN 0.037 nan 8.210 nan 0.000 0.461 99 S N 5.246 121.036 115.700 0.149 0.000 2.554 99 S HA 0.247 4.717 4.470 -0.000 0.000 0.278 99 S C -0.221 174.348 174.600 -0.051 0.000 1.242 99 S CA -0.551 57.701 58.200 0.086 0.000 1.051 99 S CB 1.481 64.681 63.200 0.001 0.000 0.986 99 S HN 0.581 nan 8.310 nan 0.000 0.502 100 Q N 2.366 122.051 119.800 -0.192 0.000 2.314 100 Q HA 0.551 4.891 4.340 -0.000 0.000 0.258 100 Q C -0.407 175.468 176.000 -0.207 0.000 0.954 100 Q CA -0.217 55.279 55.803 -0.512 0.000 0.890 100 Q CB 0.356 28.889 28.738 -0.343 0.000 1.210 100 Q HN 0.737 nan 8.270 nan 0.000 0.410 101 I N -0.063 120.412 120.570 -0.157 0.000 3.343 101 I HA 0.714 4.884 4.170 -0.000 0.000 0.315 101 I C -1.898 174.252 176.117 0.055 0.000 1.153 101 I CA -1.465 59.834 61.300 -0.002 0.000 0.952 101 I CB 1.836 39.913 38.000 0.128 0.000 1.287 101 I HN 0.530 nan 8.210 nan 0.000 0.472 102 L N 1.817 123.103 121.223 0.105 0.000 2.528 102 L HA 0.585 4.924 4.340 -0.000 0.000 0.267 102 L C -1.709 175.255 176.870 0.157 0.000 0.961 102 L CA 0.047 54.972 54.840 0.142 0.000 0.866 102 L CB 1.683 43.788 42.059 0.077 0.000 1.248 102 L HN 0.553 nan 8.230 nan 0.000 0.404 103 F N 4.495 124.473 119.950 0.048 0.000 2.380 103 F HA 0.690 5.217 4.527 -0.000 0.000 0.321 103 F C -1.552 174.270 175.800 0.036 0.000 1.103 103 F CA -1.682 56.344 58.000 0.043 0.000 1.067 103 F CB 0.440 39.443 39.000 0.005 0.000 1.265 103 F HN 0.408 nan 8.300 nan 0.000 0.517 104 P HA 0.110 nan 4.420 nan 0.000 0.269 104 P C 0.367 177.745 177.300 0.131 0.000 1.215 104 P CA 0.145 63.312 63.100 0.111 0.000 0.780 104 P CB 0.486 32.225 31.700 0.064 0.000 0.898 105 T N -0.311 114.297 114.554 0.091 0.000 2.904 105 T HA -0.009 4.341 4.350 -0.000 0.000 0.267 105 T C 0.855 175.572 174.700 0.028 0.000 1.059 105 T CA 0.763 62.914 62.100 0.085 0.000 1.137 105 T CB -0.287 68.626 68.868 0.076 0.000 0.879 105 T HN 0.388 nan 8.240 nan 0.000 0.467 106 V N 0.627 120.544 119.914 0.006 0.000 2.498 106 V HA 0.570 4.690 4.120 -0.000 0.000 0.279 106 V C -0.417 175.677 176.094 -0.001 0.000 1.048 106 V CA -1.103 61.184 62.300 -0.022 0.000 0.967 106 V CB 0.552 32.357 31.823 -0.029 0.000 0.988 106 V HN 0.208 nan 8.190 nan 0.000 0.473 107 I N 6.263 126.830 120.570 -0.005 0.000 2.418 107 I HA 0.447 4.617 4.170 -0.000 0.000 0.287 107 I C -2.347 173.791 176.117 0.035 0.000 1.008 107 I CA -2.282 59.032 61.300 0.024 0.000 1.104 107 I CB 2.525 40.562 38.000 0.061 0.000 1.264 107 I HN 0.477 nan 8.210 nan 0.000 0.438 108 P HA -0.000 nan 4.420 nan 0.000 0.268 108 P C 0.493 177.891 177.300 0.163 0.000 1.205 108 P CA 0.096 63.194 63.100 -0.003 0.000 0.771 108 P CB 1.032 32.604 31.700 -0.212 0.000 0.858 109 E N 2.391 122.748 120.200 0.261 0.000 2.097 109 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 109 E C 1.777 178.541 176.600 0.274 0.000 1.000 109 E CA 2.159 58.779 56.400 0.365 0.000 0.804 109 E CB -0.207 29.624 29.700 0.218 0.000 0.740 109 E HN 0.539 nan 8.360 nan 0.000 0.454 110 S N -0.349 115.475 115.700 0.206 0.000 2.370 110 S HA -0.177 4.293 4.470 -0.000 0.000 0.226 110 S C 1.863 176.685 174.600 0.370 0.000 1.033 110 S CA 1.005 59.342 58.200 0.227 0.000 1.011 110 S CB -0.609 62.705 63.200 0.189 0.000 0.852 110 S HN 0.258 nan 8.310 nan 0.000 0.457 111 F N 1.337 121.375 119.950 0.145 0.000 2.134 111 F HA 0.154 4.680 4.527 -0.000 0.000 0.299 111 F C 2.156 178.107 175.800 0.250 0.000 1.097 111 F CA 0.081 58.204 58.000 0.205 0.000 1.264 111 F CB -1.069 38.041 39.000 0.184 0.000 1.001 111 F HN 0.247 nan 8.300 nan 0.000 0.479 112 L N 0.010 121.484 121.223 0.419 0.000 2.217 112 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 112 L C 1.849 178.917 176.870 0.332 0.000 1.107 112 L CA 1.678 56.731 54.840 0.354 0.000 0.783 112 L CB -0.591 41.651 42.059 0.305 0.000 0.919 112 L HN -0.031 nan 8.230 nan 0.000 0.442 113 K N -1.288 119.274 120.400 0.269 0.000 2.404 113 K HA 0.019 4.339 4.320 -0.000 0.000 0.194 113 K C 1.740 178.406 176.600 0.111 0.000 1.023 113 K CA -0.019 56.383 56.287 0.192 0.000 1.094 113 K CB 0.226 32.819 32.500 0.154 0.000 0.841 113 K HN 0.209 nan 8.250 nan 0.000 0.523 114 K N 1.057 121.502 120.400 0.074 0.000 2.026 114 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 114 K C 0.786 177.306 176.600 -0.133 0.000 1.048 114 K CA 0.889 57.101 56.287 -0.125 0.000 0.929 114 K CB 0.164 32.387 32.500 -0.462 0.000 0.713 114 K HN 0.015 nan 8.250 nan 0.000 0.439 115 E N 1.337 121.522 120.200 -0.025 0.000 2.105 115 E HA 0.000 4.350 4.350 -0.000 0.000 0.285 115 E C 0.516 177.133 176.600 0.029 0.000 1.055 115 E CA 0.043 56.404 56.400 -0.065 0.000 0.843 115 E CB 1.485 31.101 29.700 -0.140 0.000 1.067 115 E HN 0.070 nan 8.360 nan 0.000 0.398 116 S N 4.287 119.974 115.700 -0.022 0.000 2.377 116 S HA -0.221 4.249 4.470 -0.000 0.000 0.224 116 S C 1.077 175.699 174.600 0.038 0.000 1.042 116 S CA 1.988 60.194 58.200 0.010 0.000 1.086 116 S CB 0.021 63.211 63.200 -0.015 0.000 0.995 116 S HN 0.529 nan 8.310 nan 0.000 0.428 117 D N -0.504 119.907 120.400 0.018 0.000 2.144 117 D HA -0.059 4.580 4.640 -0.000 0.000 0.199 117 D C 1.782 178.120 176.300 0.062 0.000 0.984 117 D CA 1.396 55.410 54.000 0.024 0.000 0.834 117 D CB -0.744 40.062 40.800 0.010 0.000 0.955 117 D HN 0.687 nan 8.370 nan 0.000 0.465 118 H N 0.202 119.293 119.070 0.036 0.000 2.290 118 H HA -0.106 4.450 4.556 -0.000 0.000 0.298 118 H C 1.981 177.451 175.328 0.237 0.000 1.087 118 H CA 1.341 57.493 56.048 0.173 0.000 1.291 118 H CB -0.251 29.689 29.762 0.296 0.000 1.369 118 H HN 0.050 nan 8.280 nan 0.000 0.492 119 I N 0.720 121.435 120.570 0.242 0.000 2.315 119 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 119 I C 1.863 178.041 176.117 0.102 0.000 1.117 119 I CA 1.476 62.891 61.300 0.191 0.000 1.404 119 I CB -0.370 37.749 38.000 0.199 0.000 1.071 119 I HN 0.167 nan 8.210 nan 0.000 0.419 120 K N 0.052 120.484 120.400 0.054 0.000 2.147 120 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 120 K C 2.019 178.578 176.600 -0.067 0.000 1.049 120 K CA 1.218 57.510 56.287 0.007 0.000 0.936 120 K CB -0.573 31.929 32.500 0.003 0.000 0.722 120 K HN 0.538 nan 8.250 nan 0.000 0.446 121 G N -0.467 108.240 108.800 -0.155 0.000 2.511 121 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.217 121 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.217 121 G C 0.963 175.483 174.900 -0.633 0.000 1.133 121 G CA 0.381 45.228 45.100 -0.421 0.000 0.792 121 G HN 0.170 nan 8.290 nan 0.000 0.539 122 F N 0.220 120.083 119.950 -0.144 0.000 2.784 122 F HA 0.179 4.706 4.527 -0.000 0.000 0.323 122 F C 2.302 178.081 175.800 -0.036 0.000 1.085 122 F CA 0.028 57.956 58.000 -0.119 0.000 1.196 122 F CB 0.285 39.153 39.000 -0.220 0.000 1.053 122 F HN 0.270 nan 8.300 nan 0.000 0.578 123 E N 0.944 121.234 120.200 0.151 0.000 2.097 123 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 123 E C 2.217 178.915 176.600 0.163 0.000 1.000 123 E CA 1.501 58.013 56.400 0.186 0.000 0.804 123 E CB -0.567 29.240 29.700 0.179 0.000 0.740 123 E HN 0.251 nan 8.360 nan 0.000 0.454 124 A N 1.289 124.172 122.820 0.105 0.000 2.019 124 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 124 A C 1.762 179.407 177.584 0.101 0.000 1.164 124 A CA 1.518 53.614 52.037 0.098 0.000 0.644 124 A CB -0.367 18.668 19.000 0.058 0.000 0.805 124 A HN 0.340 nan 8.150 nan 0.000 0.449 125 E N -1.269 118.983 120.200 0.086 0.000 2.437 125 E HA 0.114 4.464 4.350 -0.000 0.000 0.189 125 E C -0.701 175.898 176.600 -0.003 0.000 1.054 125 E CA -0.587 55.859 56.400 0.077 0.000 0.874 125 E CB 0.011 29.792 29.700 0.136 0.000 1.011 125 E HN 0.484 nan 8.360 nan 0.000 0.474 126 C N 1.395 120.627 119.300 -0.113 0.000 2.394 126 C HA 0.275 4.735 4.460 -0.000 0.000 0.362 126 C C 0.207 174.862 174.990 -0.559 0.000 1.268 126 C CA -0.802 57.979 59.018 -0.394 0.000 1.828 126 C CB -1.171 26.123 27.740 -0.744 0.000 2.442 126 C HN 0.206 nan 8.230 nan 0.000 0.549 127 F N 1.951 121.677 119.950 -0.373 0.000 2.456 127 F HA 0.240 4.767 4.527 -0.000 0.000 0.358 127 F C 0.303 175.822 175.800 -0.469 0.000 1.095 127 F CA 0.080 57.892 58.000 -0.313 0.000 1.216 127 F CB 0.477 39.352 39.000 -0.209 0.000 1.125 127 F HN 0.595 nan 8.300 nan 0.000 0.549 128 W N 3.871 125.212 121.300 0.069 0.000 2.361 128 W HA 0.568 5.228 4.660 -0.000 0.000 0.314 128 W C -1.193 175.334 176.519 0.012 0.000 1.041 128 W CA -0.985 56.373 57.345 0.021 0.000 1.241 128 W CB 1.294 30.747 29.460 -0.012 0.000 1.279 128 W HN 0.057 nan 8.180 nan 0.000 0.436 129 V N 4.333 124.374 119.914 0.211 0.000 2.439 129 V HA 0.025 4.145 4.120 -0.000 0.000 0.271 129 V C 0.594 176.771 176.094 0.139 0.000 1.040 129 V CA 0.415 62.785 62.300 0.117 0.000 1.002 129 V CB 0.846 32.695 31.823 0.043 0.000 1.000 129 V HN 0.705 nan 8.190 nan 0.000 0.477 130 E N 3.122 123.379 120.200 0.095 0.000 2.485 130 E HA 0.218 4.567 4.350 -0.000 0.000 0.213 130 E C 0.027 176.646 176.600 0.032 0.000 0.923 130 E CA -0.032 56.405 56.400 0.063 0.000 1.054 130 E CB 0.961 30.690 29.700 0.049 0.000 1.077 130 E HN 0.575 nan 8.360 nan 0.000 0.509 131 K N 0.656 121.074 120.400 0.029 0.000 2.371 131 K HA 0.465 4.785 4.320 -0.000 0.000 0.251 131 K C -0.559 176.049 176.600 0.012 0.000 0.934 131 K CA -0.622 55.674 56.287 0.016 0.000 0.798 131 K CB 2.266 34.774 32.500 0.014 0.000 1.204 131 K HN -0.037 nan 8.250 nan 0.000 0.427 132 G N 1.153 109.958 108.800 0.007 0.000 2.603 132 G HA2 0.519 4.479 3.960 -0.000 0.000 0.324 132 G HA3 0.519 4.479 3.960 -0.000 0.000 0.324 132 G C 0.407 175.308 174.900 0.003 0.000 1.178 132 G CA 0.207 45.309 45.100 0.004 0.000 1.023 132 G HN 0.808 nan 8.290 nan 0.000 0.482 133 G N 1.562 110.364 108.800 0.003 0.000 2.527 133 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.268 133 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.268 133 G C 1.124 176.027 174.900 0.004 0.000 1.175 133 G CA 0.257 45.359 45.100 0.003 0.000 0.962 133 G HN 0.947 nan 8.290 nan 0.000 0.560 134 L N 0.771 121.995 121.223 0.003 0.000 2.418 134 L HA 0.204 4.543 4.340 -0.000 0.000 0.218 134 L C 1.545 178.416 176.870 0.002 0.000 1.125 134 L CA 0.894 55.736 54.840 0.003 0.000 0.835 134 L CB -0.106 41.955 42.059 0.002 0.000 0.953 134 L HN 0.530 nan 8.230 nan 0.000 0.454 135 Q N 1.046 120.847 119.800 0.002 0.000 2.267 135 Q HA 0.276 4.616 4.340 -0.000 0.000 0.255 135 Q C -2.373 173.627 176.000 0.001 0.000 0.923 135 Q CA -2.088 53.715 55.803 0.000 0.000 0.925 135 Q CB 1.200 29.938 28.738 -0.000 0.000 1.195 135 Q HN -0.142 nan 8.270 nan 0.000 0.417 136 P HA -0.028 nan 4.420 nan 0.000 0.266 136 P C -0.807 176.492 177.300 -0.001 0.000 1.195 136 P CA 0.230 63.330 63.100 -0.001 0.000 0.768 136 P CB 0.455 32.151 31.700 -0.007 0.000 0.838 137 L N 2.329 123.553 121.223 0.002 0.000 2.397 137 L HA 0.110 4.450 4.340 -0.000 0.000 0.271 137 L C 2.027 178.895 176.870 -0.004 0.000 1.148 137 L CA 0.067 54.909 54.840 0.003 0.000 0.825 137 L CB 0.237 42.303 42.059 0.013 0.000 1.117 137 L HN 0.530 nan 8.230 nan 0.000 0.456 138 E N 1.746 121.943 120.200 -0.006 0.000 2.038 138 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 138 E C 0.405 176.998 176.600 -0.012 0.000 1.000 138 E CA 1.278 57.672 56.400 -0.010 0.000 0.803 138 E CB 0.303 29.997 29.700 -0.009 0.000 0.750 138 E HN 0.593 nan 8.360 nan 0.000 0.448 139 E N -0.117 120.079 120.200 -0.007 0.000 2.187 139 E HA 0.226 4.576 4.350 -0.000 0.000 0.268 139 E C -1.045 175.567 176.600 0.021 0.000 0.896 139 E CA -0.667 55.732 56.400 -0.002 0.000 0.766 139 E CB 1.055 30.754 29.700 -0.002 0.000 1.142 139 E HN 0.039 nan 8.360 nan 0.000 0.408 140 R N 2.605 123.118 120.500 0.023 0.000 2.698 140 R HA 0.190 4.530 4.340 -0.000 0.000 0.266 140 R C -0.332 176.101 176.300 0.222 0.000 1.026 140 R CA 0.340 56.503 56.100 0.104 0.000 1.102 140 R CB 0.379 30.681 30.300 0.004 0.000 0.978 140 R HN 0.403 nan 8.270 nan 0.000 0.436 141 L N 1.867 123.245 121.223 0.258 0.000 2.341 141 L HA 0.523 4.863 4.340 -0.000 0.000 0.278 141 L C -0.136 176.848 176.870 0.191 0.000 1.005 141 L CA -0.899 54.056 54.840 0.192 0.000 0.818 141 L CB 2.002 44.101 42.059 0.067 0.000 1.259 141 L HN 0.676 nan 8.230 nan 0.000 0.418 142 A N 4.234 127.059 122.820 0.007 0.000 2.301 142 A HA 0.658 4.978 4.320 -0.000 0.000 0.312 142 A C -0.324 177.123 177.584 -0.228 0.000 1.182 142 A CA -0.567 51.243 52.037 -0.378 0.000 0.826 142 A CB 0.525 19.118 19.000 -0.678 0.000 1.134 142 A HN 0.682 nan 8.150 nan 0.000 0.501 143 L N 2.996 124.057 121.223 -0.270 0.000 2.410 143 L HA 0.193 4.533 4.340 -0.000 0.000 0.273 143 L C 1.098 177.919 176.870 -0.082 0.000 1.144 143 L CA -0.314 54.365 54.840 -0.268 0.000 0.863 143 L CB 0.311 41.970 42.059 -0.666 0.000 1.140 143 L HN 0.879 nan 8.230 nan 0.000 0.463 144 R N 4.362 124.872 120.500 0.017 0.000 2.488 144 R HA 0.027 4.367 4.340 -0.000 0.000 0.317 144 R C -2.056 174.260 176.300 0.028 0.000 0.941 144 R CA -0.940 55.172 56.100 0.021 0.000 1.076 144 R CB -0.004 30.322 30.300 0.043 0.000 0.917 144 R HN 0.392 nan 8.270 nan 0.000 0.407 145 P HA -0.006 nan 4.420 nan 0.000 0.230 145 P C 0.021 177.147 177.300 -0.290 0.000 1.168 145 P CA 0.667 63.685 63.100 -0.135 0.000 0.793 145 P CB 0.643 32.256 31.700 -0.144 0.000 0.851 146 T N -2.419 111.997 114.554 -0.230 0.000 2.886 146 T HA 0.245 4.595 4.350 -0.000 0.000 0.341 146 T C -0.435 174.237 174.700 -0.046 0.000 1.839 146 T CA -0.293 61.790 62.100 -0.029 0.000 1.052 146 T CB 0.157 69.032 68.868 0.012 0.000 1.715 146 T HN -0.274 nan 8.240 nan 0.000 0.504 147 S N 1.605 117.282 115.700 -0.039 0.000 2.554 147 S HA 0.151 4.621 4.470 -0.000 0.000 0.226 147 S C 1.398 175.548 174.600 -0.751 0.000 0.980 147 S CA -0.137 57.866 58.200 -0.328 0.000 0.939 147 S CB 0.202 63.196 63.200 -0.343 0.000 0.832 147 S HN 0.719 nan 8.310 nan 0.000 0.486 148 E N 2.047 121.795 120.200 -0.753 0.000 2.086 148 E HA -0.203 4.147 4.350 -0.000 0.000 0.205 148 E C 2.389 178.088 176.600 -1.503 0.000 1.027 148 E CA 2.282 57.807 56.400 -1.458 0.000 0.830 148 E CB -0.718 28.319 29.700 -1.106 0.000 0.751 148 E HN 0.691 nan 8.360 nan 0.000 0.456 149 T N -1.658 112.419 114.554 -0.795 0.000 2.833 149 T HA -0.039 4.311 4.350 -0.000 0.000 0.269 149 T C 1.997 176.355 174.700 -0.569 0.000 1.054 149 T CA 1.233 62.975 62.100 -0.597 0.000 1.135 149 T CB -0.328 68.589 68.868 0.083 0.000 0.869 149 T HN 0.190 nan 8.240 nan 0.000 0.466 150 A N 1.561 124.130 122.820 -0.417 0.000 1.872 150 A HA 0.225 4.545 4.320 -0.000 0.000 0.214 150 A C 2.422 179.712 177.584 -0.490 0.000 1.187 150 A CA 1.129 53.049 52.037 -0.194 0.000 0.614 150 A CB -0.724 18.205 19.000 -0.118 0.000 0.826 150 A HN 0.548 nan 8.150 nan 0.000 0.442 151 I N -1.361 118.552 120.570 -1.096 0.000 2.252 151 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 151 I C 2.132 177.583 176.117 -1.111 0.000 1.102 151 I CA 1.196 61.665 61.300 -1.384 0.000 1.385 151 I CB -0.391 36.547 38.000 -1.770 0.000 1.064 151 I HN 0.375 nan 8.210 nan 0.000 0.414 152 Y N 0.485 120.101 120.300 -1.140 0.000 2.457 152 Y HA -0.039 4.511 4.550 -0.000 0.000 0.292 152 Y C 2.843 178.377 175.900 -0.609 0.000 1.125 152 Y CA 0.027 57.565 58.100 -0.938 0.000 1.254 152 Y CB -1.333 36.573 38.460 -0.923 0.000 1.012 152 Y HN 0.077 nan 8.280 nan 0.000 0.555 153 S N -0.394 114.979 115.700 -0.544 0.000 2.399 153 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 153 S C 1.973 176.463 174.600 -0.183 0.000 1.022 153 S CA 1.243 59.279 58.200 -0.272 0.000 0.983 153 S CB -0.156 62.753 63.200 -0.485 0.000 0.803 153 S HN 0.309 nan 8.310 nan 0.000 0.480 154 M N -0.035 119.390 119.600 -0.292 0.000 2.287 154 M HA 0.174 4.654 4.480 -0.000 0.000 0.266 154 M C 1.495 177.384 176.300 -0.685 0.000 1.079 154 M CA 0.808 55.736 55.300 -0.620 0.000 1.146 154 M CB -1.389 30.736 32.600 -0.792 0.000 1.374 154 M HN 0.214 nan 8.290 nan 0.000 0.435 155 F N 0.996 120.683 119.950 -0.439 0.000 2.120 155 F HA -0.185 4.342 4.527 -0.000 0.000 0.300 155 F C 2.934 178.704 175.800 -0.050 0.000 1.095 155 F CA 1.291 59.229 58.000 -0.103 0.000 1.249 155 F CB -1.718 37.291 39.000 0.013 0.000 0.995 155 F HN 0.190 nan 8.300 nan 0.000 0.480 156 S N -0.336 115.441 115.700 0.128 0.000 2.374 156 S HA -0.233 4.236 4.470 -0.000 0.000 0.227 156 S C 2.080 176.720 174.600 0.067 0.000 1.037 156 S CA 1.696 59.959 58.200 0.105 0.000 1.024 156 S CB -0.143 63.111 63.200 0.090 0.000 0.861 156 S HN 0.407 nan 8.310 nan 0.000 0.456 157 K N -0.685 119.699 120.400 -0.027 0.000 2.116 157 K HA 0.010 4.329 4.320 -0.000 0.000 0.203 157 K C 1.825 178.524 176.600 0.164 0.000 1.052 157 K CA 1.043 57.337 56.287 0.011 0.000 0.952 157 K CB -0.140 32.312 32.500 -0.080 0.000 0.729 157 K HN 0.452 nan 8.250 nan 0.000 0.446 158 W N 1.008 122.374 121.300 0.110 0.000 2.658 158 W HA 0.083 4.742 4.660 -0.000 0.000 0.263 158 W C 0.228 176.753 176.519 0.009 0.000 1.274 158 W CA -0.044 57.334 57.345 0.054 0.000 1.343 158 W CB -0.352 29.141 29.460 0.055 0.000 1.106 158 W HN -0.291 nan 8.180 nan 0.000 0.615 159 V N 2.836 122.883 119.914 0.221 0.000 2.350 159 V HA 0.316 4.436 4.120 -0.000 0.000 0.276 159 V C 0.932 177.103 176.094 0.128 0.000 1.028 159 V CA -0.375 62.000 62.300 0.126 0.000 0.860 159 V CB 1.676 33.557 31.823 0.097 0.000 0.990 159 V HN -0.079 nan 8.190 nan 0.000 0.453 160 R N 2.189 122.751 120.500 0.102 0.000 2.320 160 R HA 0.276 4.616 4.340 -0.000 0.000 0.193 160 R C 0.766 177.140 176.300 0.123 0.000 0.885 160 R CA 0.726 56.885 56.100 0.099 0.000 1.085 160 R CB 0.846 31.184 30.300 0.065 0.000 1.253 160 R HN 0.738 nan 8.270 nan 0.000 0.636 161 S N -0.730 115.022 115.700 0.086 0.000 2.661 161 S HA 0.187 4.657 4.470 -0.000 0.000 0.285 161 S C 0.916 175.546 174.600 0.050 0.000 1.138 161 S CA -0.686 57.579 58.200 0.109 0.000 0.855 161 S CB 0.919 64.087 63.200 -0.053 0.000 1.136 161 S HN 0.279 nan 8.310 nan 0.000 0.484 162 Y N 0.614 121.017 120.300 0.171 0.000 2.365 162 Y HA 0.095 4.645 4.550 -0.000 0.000 0.287 162 Y C 1.650 177.507 175.900 -0.071 0.000 1.162 162 Y CA 1.396 59.485 58.100 -0.017 0.000 1.260 162 Y CB -0.702 37.830 38.460 0.119 0.000 0.976 162 Y HN 0.610 nan 8.280 nan 0.000 0.548 163 K N 0.299 120.299 120.400 -0.666 0.000 2.365 163 K HA -0.098 4.222 4.320 -0.000 0.000 0.199 163 K C 0.793 177.260 176.600 -0.222 0.000 1.045 163 K CA 1.094 57.119 56.287 -0.436 0.000 0.962 163 K CB -0.086 32.116 32.500 -0.496 0.000 0.759 163 K HN 0.428 nan 8.250 nan 0.000 0.469 164 D N 0.553 120.838 120.400 -0.192 0.000 2.349 164 D HA 0.032 4.671 4.640 -0.000 0.000 0.224 164 D C 0.338 176.538 176.300 -0.166 0.000 1.029 164 D CA 0.619 54.533 54.000 -0.144 0.000 0.879 164 D CB 0.252 40.997 40.800 -0.092 0.000 0.906 164 D HN 0.137 nan 8.370 nan 0.000 0.528 165 L N 1.763 122.875 121.223 -0.185 0.000 2.334 165 L HA 0.398 4.738 4.340 -0.000 0.000 0.273 165 L C -2.120 174.676 176.870 -0.122 0.000 1.013 165 L CA -1.903 52.819 54.840 -0.197 0.000 0.816 165 L CB 1.706 43.591 42.059 -0.290 0.000 1.278 165 L HN -0.244 nan 8.230 nan 0.000 0.431 166 P HA 0.252 nan 4.420 nan 0.000 0.277 166 P C -1.250 175.933 177.300 -0.197 0.000 1.240 166 P CA -0.543 62.461 63.100 -0.161 0.000 0.798 166 P CB 1.700 33.344 31.700 -0.094 0.000 0.979 167 L N 2.527 123.580 121.223 -0.284 0.000 2.319 167 L HA 0.432 4.772 4.340 -0.000 0.000 0.281 167 L C -0.477 176.235 176.870 -0.262 0.000 1.005 167 L CA -0.257 54.410 54.840 -0.288 0.000 0.828 167 L CB 0.796 42.607 42.059 -0.413 0.000 1.227 167 L HN 0.276 nan 8.230 nan 0.000 0.415 168 K N 6.754 127.075 120.400 -0.131 0.000 2.502 168 K HA 0.672 4.991 4.320 -0.000 0.000 0.254 168 K C -1.211 175.413 176.600 0.039 0.000 0.947 168 K CA -0.628 55.630 56.287 -0.047 0.000 0.834 168 K CB 2.049 34.514 32.500 -0.060 0.000 1.112 168 K HN 0.588 nan 8.250 nan 0.000 0.427 169 I N -0.989 119.661 120.570 0.134 0.000 3.074 169 I HA 0.629 4.799 4.170 -0.000 0.000 0.310 169 I C -0.812 175.411 176.117 0.176 0.000 1.153 169 I CA -0.739 60.658 61.300 0.162 0.000 0.993 169 I CB 1.842 39.990 38.000 0.246 0.000 1.237 169 I HN 0.698 nan 8.210 nan 0.000 0.443 170 H N 0.300 119.394 119.070 0.039 0.000 3.037 170 H HA 0.829 5.385 4.556 -0.000 0.000 0.355 170 H C -1.774 173.592 175.328 0.064 0.000 1.263 170 H CA -0.804 55.245 56.048 0.000 0.000 1.129 170 H CB 1.490 31.201 29.762 -0.084 0.000 1.861 170 H HN 0.864 nan 8.280 nan 0.000 0.546 171 Q N 0.916 120.744 119.800 0.047 0.000 2.345 171 Q HA 0.532 4.872 4.340 -0.000 0.000 0.275 171 Q C -1.552 174.494 176.000 0.077 0.000 1.063 171 Q CA -1.149 54.669 55.803 0.026 0.000 0.819 171 Q CB 2.495 31.282 28.738 0.083 0.000 1.356 171 Q HN 0.670 nan 8.270 nan 0.000 0.418 172 T N 2.257 116.856 114.554 0.076 0.000 2.749 172 T HA 0.658 5.007 4.350 -0.000 0.000 0.287 172 T C -0.223 174.509 174.700 0.054 0.000 0.970 172 T CA -0.138 61.983 62.100 0.037 0.000 0.980 172 T CB 0.086 68.975 68.868 0.036 0.000 0.924 172 T HN 0.872 nan 8.240 nan 0.000 0.456 173 C N 1.215 120.544 119.300 0.049 0.000 3.260 173 C HA 0.892 5.352 4.460 -0.000 0.000 0.366 173 C C -0.153 174.868 174.990 0.052 0.000 1.537 173 C CA -0.962 58.117 59.018 0.101 0.000 1.160 173 C CB 1.048 28.885 27.740 0.163 0.000 1.760 173 C HN 0.842 nan 8.230 nan 0.000 0.432 174 T N -0.158 114.413 114.554 0.028 0.000 2.888 174 T HA 0.781 5.131 4.350 -0.000 0.000 0.284 174 T C -0.409 174.087 174.700 -0.340 0.000 1.017 174 T CA -0.377 61.615 62.100 -0.180 0.000 1.022 174 T CB 1.211 69.941 68.868 -0.231 0.000 1.013 174 T HN 1.513 nan 8.240 nan 0.000 0.465 175 I N -1.333 118.854 120.570 -0.639 0.000 3.023 175 I HA 0.875 5.045 4.170 -0.000 0.000 0.312 175 I C -1.505 174.186 176.117 -0.709 0.000 1.056 175 I CA -1.829 59.133 61.300 -0.564 0.000 1.033 175 I CB 1.923 39.432 38.000 -0.818 0.000 1.233 175 I HN 0.555 nan 8.210 nan 0.000 0.462 176 F N 1.509 121.369 119.950 -0.151 0.000 2.539 176 F HA 0.596 5.123 4.527 -0.000 0.000 0.318 176 F C -0.323 175.569 175.800 0.154 0.000 1.135 176 F CA -0.617 57.394 58.000 0.018 0.000 0.915 176 F CB 1.862 40.864 39.000 0.003 0.000 1.176 176 F HN 0.252 nan 8.300 nan 0.000 0.440 177 R N 2.161 122.881 120.500 0.368 0.000 2.467 177 R HA 0.155 4.494 4.340 -0.000 0.000 0.299 177 R C 0.312 176.765 176.300 0.255 0.000 1.120 177 R CA -0.595 55.655 56.100 0.250 0.000 0.940 177 R CB 0.944 31.323 30.300 0.132 0.000 1.161 177 R HN 0.872 nan 8.270 nan 0.000 0.506 178 H N 1.800 120.834 119.070 -0.059 0.000 2.357 178 H HA -0.076 4.480 4.556 -0.000 0.000 0.301 178 H C 1.324 176.566 175.328 -0.143 0.000 1.082 178 H CA 1.902 57.692 56.048 -0.430 0.000 1.342 178 H CB 0.552 29.714 29.762 -0.999 0.000 1.389 178 H HN 0.468 nan 8.280 nan 0.000 0.511 179 E N 0.340 120.397 120.200 -0.238 0.000 2.478 179 E HA -0.004 4.346 4.350 -0.000 0.000 0.198 179 E C -0.063 176.448 176.600 -0.148 0.000 1.046 179 E CA 0.212 56.470 56.400 -0.237 0.000 0.870 179 E CB -0.301 29.370 29.700 -0.048 0.000 0.818 179 E HN 0.401 nan 8.360 nan 0.000 0.527 180 T N 2.368 116.872 114.554 -0.084 0.000 2.866 180 T HA 0.008 4.358 4.350 -0.000 0.000 0.293 180 T C 0.083 174.760 174.700 -0.038 0.000 1.005 180 T CA 0.283 62.370 62.100 -0.022 0.000 1.162 180 T CB 0.394 69.278 68.868 0.026 0.000 0.968 180 T HN -0.073 nan 8.240 nan 0.000 0.530 181 K N 2.485 122.879 120.400 -0.010 0.000 2.258 181 K HA 0.371 4.691 4.320 -0.000 0.000 0.236 181 K C 0.541 177.156 176.600 0.026 0.000 1.008 181 K CA -1.170 55.115 56.287 -0.003 0.000 0.869 181 K CB 0.707 33.204 32.500 -0.004 0.000 1.171 181 K HN 0.580 nan 8.250 nan 0.000 0.447 182 N N 1.194 119.911 118.700 0.029 0.000 2.705 182 N HA -0.158 4.582 4.740 -0.000 0.000 0.255 182 N C -0.440 175.106 175.510 0.060 0.000 1.008 182 N CA 1.116 54.191 53.050 0.043 0.000 0.742 182 N CB -1.400 37.113 38.487 0.044 0.000 0.906 182 N HN 0.796 nan 8.380 nan 0.000 0.541 183 T N -1.721 112.866 114.554 0.055 0.000 2.932 183 T HA 0.312 4.662 4.350 -0.000 0.000 0.312 183 T C 0.328 175.075 174.700 0.080 0.000 1.071 183 T CA -0.023 62.116 62.100 0.064 0.000 1.128 183 T CB 2.138 71.041 68.868 0.058 0.000 0.984 183 T HN 0.362 nan 8.240 nan 0.000 0.549 184 K N 2.860 123.315 120.400 0.092 0.000 2.588 184 K HA 0.395 4.715 4.320 -0.000 0.000 0.250 184 K C -3.073 173.613 176.600 0.144 0.000 0.972 184 K CA -2.136 54.228 56.287 0.129 0.000 0.821 184 K CB 1.884 34.462 32.500 0.131 0.000 1.249 184 K HN 0.333 nan 8.250 nan 0.000 0.442 185 P HA -0.054 nan 4.420 nan 0.000 0.263 185 P C 0.167 177.577 177.300 0.184 0.000 1.175 185 P CA 0.549 63.705 63.100 0.093 0.000 0.761 185 P CB 0.351 32.062 31.700 0.019 0.000 0.794 186 L N 0.508 121.782 121.223 0.083 0.000 4.423 186 L HA -0.330 4.010 4.340 -0.000 0.000 0.380 186 L C 1.553 178.489 176.870 0.110 0.000 0.737 186 L CA 1.231 56.153 54.840 0.137 0.000 2.597 186 L CB -1.636 40.559 42.059 0.227 0.000 0.969 186 L HN 0.395 nan 8.230 nan 0.000 0.664 187 I N -1.005 119.609 120.570 0.074 0.000 2.556 187 I HA 0.009 4.179 4.170 -0.000 0.000 0.251 187 I C 1.200 177.331 176.117 0.024 0.000 1.105 187 I CA 0.821 62.104 61.300 -0.029 0.000 1.436 187 I CB 0.172 38.054 38.000 -0.197 0.000 1.139 187 I HN 0.120 nan 8.210 nan 0.000 0.438 188 R N 1.339 121.872 120.500 0.056 0.000 2.680 188 R HA 0.428 4.768 4.340 -0.000 0.000 0.278 188 R C -1.267 175.069 176.300 0.060 0.000 1.582 188 R CA -0.171 55.971 56.100 0.069 0.000 1.177 188 R CB 1.882 32.236 30.300 0.091 0.000 1.232 188 R HN 0.012 nan 8.270 nan 0.000 0.528 189 V N -0.925 119.018 119.914 0.048 0.000 3.126 189 V HA 0.532 4.652 4.120 -0.000 0.000 0.314 189 V C 0.791 176.910 176.094 0.042 0.000 1.138 189 V CA -1.127 61.194 62.300 0.036 0.000 1.034 189 V CB 2.586 34.414 31.823 0.007 0.000 1.075 189 V HN 0.544 nan 8.190 nan 0.000 0.442 190 R N -0.471 120.070 120.500 0.068 0.000 2.175 190 R HA 0.289 4.629 4.340 -0.000 0.000 0.202 190 R C 0.509 176.853 176.300 0.072 0.000 1.018 190 R CA 0.351 56.545 56.100 0.156 0.000 1.029 190 R CB 0.533 31.006 30.300 0.289 0.000 0.959 190 R HN 0.879 nan 8.270 nan 0.000 0.480 191 E N 1.372 121.525 120.200 -0.078 0.000 2.145 191 E HA 0.301 4.651 4.350 -0.000 0.000 0.270 191 E C -1.173 175.273 176.600 -0.258 0.000 0.906 191 E CA -0.361 55.817 56.400 -0.369 0.000 0.761 191 E CB 0.969 30.442 29.700 -0.378 0.000 1.116 191 E HN 0.046 nan 8.360 nan 0.000 0.408 192 I N 4.067 124.436 120.570 -0.335 0.000 2.389 192 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 192 I C -0.019 176.039 176.117 -0.098 0.000 0.999 192 I CA -0.839 60.363 61.300 -0.163 0.000 1.129 192 I CB 1.442 39.303 38.000 -0.231 0.000 1.288 192 I HN 0.523 nan 8.210 nan 0.000 0.444 193 H N 7.389 126.485 119.070 0.043 0.000 2.690 193 H HA 0.206 4.762 4.556 -0.000 0.000 0.314 193 H C -1.404 174.068 175.328 0.240 0.000 1.069 193 H CA -0.041 56.086 56.048 0.131 0.000 1.436 193 H CB 0.901 30.796 29.762 0.221 0.000 1.462 193 H HN 0.714 nan 8.280 nan 0.000 0.511 194 W N 6.161 127.257 121.300 -0.339 0.000 2.988 194 W HA 0.313 4.972 4.660 -0.000 0.000 0.355 194 W C -2.068 174.316 176.519 -0.226 0.000 1.233 194 W CA -1.303 55.920 57.345 -0.204 0.000 1.176 194 W CB 0.386 29.797 29.460 -0.082 0.000 1.477 194 W HN 0.448 nan 8.180 nan 0.000 0.582 195 N N 1.565 120.155 118.700 -0.182 0.000 2.342 195 N HA 0.308 5.047 4.740 -0.000 0.000 0.293 195 N C -1.386 173.673 175.510 -0.750 0.000 1.026 195 N CA -0.182 52.677 53.050 -0.319 0.000 0.857 195 N CB 2.118 40.538 38.487 -0.111 0.000 1.256 195 N HN 0.503 nan 8.380 nan 0.000 0.484 196 E N 1.867 121.653 120.200 -0.690 0.000 2.224 196 E HA 0.693 5.043 4.350 -0.000 0.000 0.265 196 E C -1.409 174.969 176.600 -0.369 0.000 0.878 196 E CA -1.199 54.738 56.400 -0.772 0.000 0.759 196 E CB 1.703 30.906 29.700 -0.827 0.000 1.164 196 E HN 0.465 nan 8.360 nan 0.000 0.414 197 A N 4.054 126.555 122.820 -0.532 0.000 2.324 197 A HA 0.527 4.847 4.320 -0.000 0.000 0.330 197 A C -0.980 176.273 177.584 -0.552 0.000 1.165 197 A CA -0.658 51.135 52.037 -0.406 0.000 0.813 197 A CB 0.740 19.350 19.000 -0.651 0.000 1.197 197 A HN 0.738 nan 8.150 nan 0.000 0.484 198 H N 0.197 119.240 119.070 -0.045 0.000 2.759 198 H HA 0.428 4.984 4.556 -0.000 0.000 0.354 198 H C -1.278 174.194 175.328 0.239 0.000 1.074 198 H CA -0.334 55.776 56.048 0.103 0.000 1.226 198 H CB 1.809 31.625 29.762 0.091 0.000 1.648 198 H HN 0.720 nan 8.280 nan 0.000 0.529 199 C N 2.028 121.500 119.300 0.288 0.000 2.634 199 C HA 0.418 4.877 4.460 -0.000 0.000 0.313 199 C C 0.381 175.261 174.990 -0.182 0.000 1.198 199 C CA -0.638 58.382 59.018 0.003 0.000 1.605 199 C CB 1.758 29.437 27.740 -0.102 0.000 2.196 199 C HN 0.893 nan 8.230 nan 0.000 0.486 200 C N 3.942 122.962 119.300 -0.468 0.000 2.345 200 C HA 0.707 5.167 4.460 -0.000 0.000 0.323 200 C C -0.609 174.055 174.990 -0.544 0.000 1.276 200 C CA -0.113 58.666 59.018 -0.399 0.000 1.543 200 C CB -0.646 26.837 27.740 -0.428 0.000 2.211 200 C HN 0.975 nan 8.230 nan 0.000 0.493 201 H N 3.457 122.541 119.070 0.024 0.000 2.679 201 H HA 0.446 5.002 4.556 -0.000 0.000 0.367 201 H C 0.560 175.936 175.328 0.080 0.000 1.162 201 H CA 0.062 56.125 56.048 0.025 0.000 1.181 201 H CB 2.015 31.808 29.762 0.052 0.000 1.693 201 H HN 0.718 nan 8.280 nan 0.000 0.538 202 A N 1.883 124.776 122.820 0.122 0.000 1.898 202 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 202 A C 1.126 178.933 177.584 0.372 0.000 1.183 202 A CA 1.632 53.722 52.037 0.087 0.000 0.622 202 A CB -0.209 18.783 19.000 -0.014 0.000 0.824 202 A HN 0.722 nan 8.150 nan 0.000 0.444 203 T N -5.690 108.977 114.554 0.188 0.000 2.916 203 T HA 0.666 5.016 4.350 -0.000 0.000 0.292 203 T C 0.913 175.215 174.700 -0.663 0.000 1.064 203 T CA -0.074 61.988 62.100 -0.062 0.000 1.011 203 T CB 1.596 70.432 68.868 -0.052 0.000 1.152 203 T HN 0.516 nan 8.240 nan 0.000 0.510 204 A N 0.479 122.595 122.820 -1.173 0.000 1.933 204 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 204 A C 2.039 179.365 177.584 -0.430 0.000 1.175 204 A CA 1.674 53.072 52.037 -1.066 0.000 0.628 204 A CB -1.080 17.532 19.000 -0.647 0.000 0.814 204 A HN 0.918 nan 8.150 nan 0.000 0.444 205 E N 0.505 120.534 120.200 -0.285 0.000 2.110 205 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 205 E C 1.526 178.015 176.600 -0.185 0.000 0.988 205 E CA 1.336 57.633 56.400 -0.172 0.000 0.804 205 E CB -0.182 29.451 29.700 -0.112 0.000 0.745 205 E HN 0.544 nan 8.360 nan 0.000 0.458 206 D N -0.012 120.266 120.400 -0.202 0.000 2.144 206 D HA -0.128 4.511 4.640 -0.000 0.000 0.199 206 D C 1.830 177.835 176.300 -0.492 0.000 0.984 206 D CA 1.353 55.219 54.000 -0.224 0.000 0.834 206 D CB -0.204 40.547 40.800 -0.081 0.000 0.955 206 D HN 0.208 nan 8.370 nan 0.000 0.465 207 A N 0.657 123.159 122.820 -0.531 0.000 1.933 207 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 207 A C 2.542 179.927 177.584 -0.332 0.000 1.175 207 A CA 1.078 52.750 52.037 -0.609 0.000 0.628 207 A CB -0.630 18.245 19.000 -0.209 0.000 0.814 207 A HN 0.144 nan 8.150 nan 0.000 0.444 208 V N -0.127 119.673 119.914 -0.190 0.000 2.358 208 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 208 V C 2.723 178.758 176.094 -0.098 0.000 1.047 208 V CA 2.243 64.505 62.300 -0.063 0.000 1.035 208 V CB -0.761 31.051 31.823 -0.018 0.000 0.658 208 V HN 0.548 nan 8.190 nan 0.000 0.452 209 S N -0.535 115.071 115.700 -0.157 0.000 2.399 209 S HA -0.259 4.211 4.470 -0.000 0.000 0.231 209 S C 1.985 176.464 174.600 -0.201 0.000 1.022 209 S CA 1.514 59.627 58.200 -0.144 0.000 0.983 209 S CB -0.314 62.805 63.200 -0.134 0.000 0.803 209 S HN 0.577 nan 8.310 nan 0.000 0.480 210 Q N 1.153 120.761 119.800 -0.320 0.000 2.124 210 Q HA -0.005 4.335 4.340 -0.000 0.000 0.202 210 Q C 1.789 177.446 176.000 -0.571 0.000 0.977 210 Q CA 1.192 56.722 55.803 -0.455 0.000 0.850 210 Q CB -0.529 27.914 28.738 -0.490 0.000 0.901 210 Q HN 0.359 nan 8.270 nan 0.000 0.429 211 L N -0.228 120.834 121.223 -0.269 0.000 2.083 211 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 211 L C 2.289 179.217 176.870 0.096 0.000 1.083 211 L CA 1.783 56.609 54.840 -0.023 0.000 0.752 211 L CB -0.817 41.328 42.059 0.142 0.000 0.899 211 L HN 0.112 nan 8.230 nan 0.000 0.433 212 S N -0.700 115.028 115.700 0.046 0.000 2.383 212 S HA -0.167 4.302 4.470 -0.000 0.000 0.227 212 S C 1.557 176.184 174.600 0.045 0.000 1.026 212 S CA 1.214 59.470 58.200 0.093 0.000 0.981 212 S CB -0.328 62.880 63.200 0.013 0.000 0.818 212 S HN 0.463 nan 8.310 nan 0.000 0.472 213 D N 0.500 120.844 120.400 -0.093 0.000 2.117 213 D HA -0.068 4.572 4.640 -0.000 0.000 0.197 213 D C 1.655 177.942 176.300 -0.022 0.000 0.987 213 D CA 1.056 54.996 54.000 -0.101 0.000 0.829 213 D CB -0.361 40.317 40.800 -0.203 0.000 0.961 213 D HN 0.373 nan 8.370 nan 0.000 0.460 214 Y N -0.537 119.729 120.300 -0.058 0.000 2.181 214 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 214 Y C 2.392 178.152 175.900 -0.234 0.000 1.146 214 Y CA 0.307 58.317 58.100 -0.150 0.000 1.164 214 Y CB -1.124 37.135 38.460 -0.334 0.000 0.982 214 Y HN 0.134 nan 8.280 nan 0.000 0.515 215 W N 0.627 121.942 121.300 0.024 0.000 2.363 215 W HA -0.165 4.495 4.660 -0.000 0.000 0.296 215 W C 2.352 178.793 176.519 -0.131 0.000 1.212 215 W CA 1.275 58.562 57.345 -0.096 0.000 1.260 215 W CB -0.211 29.191 29.460 -0.097 0.000 1.131 215 W HN -0.051 nan 8.180 nan 0.000 0.530 216 K N -0.224 120.256 120.400 0.134 0.000 2.057 216 K HA -0.170 4.149 4.320 -0.000 0.000 0.207 216 K C 1.721 178.306 176.600 -0.026 0.000 1.049 216 K CA 1.658 57.968 56.287 0.038 0.000 0.931 216 K CB -0.782 31.728 32.500 0.016 0.000 0.714 216 K HN 0.034 nan 8.250 nan 0.000 0.440 217 V N 1.992 121.877 119.914 -0.047 0.000 2.343 217 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 217 V C 2.251 178.213 176.094 -0.219 0.000 1.051 217 V CA 1.416 63.631 62.300 -0.141 0.000 1.036 217 V CB -0.415 31.298 31.823 -0.183 0.000 0.654 217 V HN 0.271 nan 8.190 nan 0.000 0.451 218 I N 0.286 120.684 120.570 -0.287 0.000 2.226 218 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 218 I C 2.309 178.153 176.117 -0.454 0.000 1.100 218 I CA 1.687 62.653 61.300 -0.557 0.000 1.374 218 I CB -1.295 36.261 38.000 -0.741 0.000 1.057 218 I HN 0.365 nan 8.210 nan 0.000 0.413 219 D N 0.388 120.673 120.400 -0.191 0.000 2.117 219 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 219 D C 2.158 178.422 176.300 -0.060 0.000 0.987 219 D CA 1.493 55.433 54.000 -0.100 0.000 0.829 219 D CB -0.212 40.567 40.800 -0.036 0.000 0.961 219 D HN 0.274 nan 8.370 nan 0.000 0.460 220 T N 1.387 115.901 114.554 -0.066 0.000 2.652 220 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 220 T C 2.263 176.951 174.700 -0.021 0.000 1.039 220 T CA 0.787 62.861 62.100 -0.043 0.000 1.153 220 T CB -0.233 68.598 68.868 -0.062 0.000 0.863 220 T HN 0.149 nan 8.240 nan 0.000 0.428 221 I N -0.087 120.469 120.570 -0.022 0.000 2.133 221 I HA -0.121 4.049 4.170 -0.000 0.000 0.238 221 I C 2.186 178.397 176.117 0.157 0.000 1.074 221 I CA 1.343 62.685 61.300 0.071 0.000 1.342 221 I CB -0.385 37.681 38.000 0.110 0.000 1.053 221 I HN 0.125 nan 8.210 nan 0.000 0.404 222 F N 0.970 120.774 119.950 -0.243 0.000 2.084 222 F HA -0.152 4.375 4.527 -0.000 0.000 0.296 222 F C 2.781 178.250 175.800 -0.553 0.000 1.111 222 F CA 1.283 58.913 58.000 -0.616 0.000 1.224 222 F CB -1.077 37.511 39.000 -0.688 0.000 0.991 222 F HN -0.018 nan 8.300 nan 0.000 0.471 223 S N -0.700 114.976 115.700 -0.041 0.000 2.398 223 S HA -0.053 4.417 4.470 -0.000 0.000 0.220 223 S C 1.521 176.164 174.600 0.073 0.000 1.046 223 S CA 0.676 58.926 58.200 0.083 0.000 0.953 223 S CB -0.188 63.132 63.200 0.199 0.000 0.856 223 S HN 0.202 nan 8.310 nan 0.000 0.506 224 D N 1.319 121.741 120.400 0.037 0.000 2.144 224 D HA -0.039 4.601 4.640 -0.000 0.000 0.199 224 D C 1.909 178.217 176.300 0.015 0.000 0.984 224 D CA 1.054 55.061 54.000 0.012 0.000 0.834 224 D CB -0.027 40.773 40.800 0.001 0.000 0.955 224 D HN 0.278 nan 8.370 nan 0.000 0.465 225 E N -0.355 119.864 120.200 0.031 0.000 2.175 225 E HA 0.163 4.513 4.350 -0.000 0.000 0.195 225 E C 2.204 178.856 176.600 0.088 0.000 0.934 225 E CA 0.056 56.485 56.400 0.048 0.000 0.870 225 E CB -0.015 29.710 29.700 0.042 0.000 0.838 225 E HN 0.244 nan 8.360 nan 0.000 0.474 226 L N 0.260 121.557 121.223 0.124 0.000 2.591 226 L HA 0.077 4.417 4.340 -0.000 0.000 0.228 226 L C 0.282 177.402 176.870 0.416 0.000 1.133 226 L CA -0.075 54.922 54.840 0.263 0.000 0.880 226 L CB -0.074 42.204 42.059 0.365 0.000 1.033 226 L HN 0.110 nan 8.230 nan 0.000 0.450 227 C N 0.293 119.739 119.300 0.245 0.000 4.432 227 C HA -0.220 4.239 4.460 -0.000 0.000 0.294 227 C C 0.496 175.827 174.990 0.568 0.000 1.398 227 C CA 0.234 59.427 59.018 0.291 0.000 1.988 227 C CB -3.506 24.307 27.740 0.121 0.000 1.251 227 C HN 0.584 nan 8.230 nan 0.000 0.791 228 F N -1.338 118.831 119.950 0.365 0.000 2.664 228 F HA 0.888 5.415 4.527 -0.000 0.000 0.329 228 F C -0.605 175.312 175.800 0.194 0.000 1.090 228 F CA -1.462 56.701 58.000 0.272 0.000 0.978 228 F CB 1.161 40.165 39.000 0.007 0.000 1.378 228 F HN 0.027 nan 8.300 nan 0.000 0.495 229 K N 0.268 120.732 120.400 0.107 0.000 2.426 229 K HA 0.745 5.065 4.320 -0.000 0.000 0.251 229 K C -1.065 175.474 176.600 -0.101 0.000 0.941 229 K CA -0.851 55.244 56.287 -0.320 0.000 0.808 229 K CB 2.263 34.186 32.500 -0.962 0.000 1.265 229 K HN 1.145 nan 8.250 nan 0.000 0.432 230 G N 1.222 109.943 108.800 -0.131 0.000 2.605 230 G HA2 0.289 4.249 3.960 -0.000 0.000 0.296 230 G HA3 0.289 4.249 3.960 -0.000 0.000 0.296 230 G C -1.613 173.190 174.900 -0.163 0.000 1.304 230 G CA -0.472 44.626 45.100 -0.005 0.000 0.941 230 G HN 0.453 nan 8.290 nan 0.000 0.475 231 Q N 0.463 120.249 119.800 -0.024 0.000 2.294 231 Q HA 0.309 4.649 4.340 -0.000 0.000 0.257 231 Q C 0.196 176.088 176.000 -0.181 0.000 0.955 231 Q CA -0.269 55.451 55.803 -0.139 0.000 0.936 231 Q CB 0.854 29.472 28.738 -0.201 0.000 1.188 231 Q HN 0.477 nan 8.270 nan 0.000 0.420 232 K N 4.645 124.873 120.400 -0.287 0.000 2.339 232 K HA 0.388 4.708 4.320 -0.000 0.000 0.286 232 K C -1.167 175.246 176.600 -0.311 0.000 1.050 232 K CA -0.144 55.930 56.287 -0.356 0.000 0.956 232 K CB 0.306 32.393 32.500 -0.689 0.000 0.990 232 K HN 0.688 nan 8.250 nan 0.000 0.475 233 L N 3.282 124.398 121.223 -0.179 0.000 2.434 233 L HA 0.409 4.749 4.340 -0.000 0.000 0.260 233 L C -0.669 176.139 176.870 -0.103 0.000 0.983 233 L CA -1.304 53.432 54.840 -0.173 0.000 0.820 233 L CB 1.978 43.960 42.059 -0.129 0.000 1.361 233 L HN 0.570 nan 8.230 nan 0.000 0.410 234 R N 2.168 122.533 120.500 -0.226 0.000 2.288 234 R HA 0.184 4.524 4.340 -0.000 0.000 0.330 234 R C -0.220 176.041 176.300 -0.065 0.000 1.069 234 R CA -0.342 55.665 56.100 -0.154 0.000 0.941 234 R CB 0.234 30.304 30.300 -0.383 0.000 0.998 234 R HN 0.435 nan 8.270 nan 0.000 0.452 235 R N 3.761 124.279 120.500 0.030 0.000 2.585 235 R HA 0.038 4.378 4.340 -0.000 0.000 0.275 235 R C -0.497 175.759 176.300 -0.074 0.000 1.018 235 R CA 0.195 56.299 56.100 0.006 0.000 1.072 235 R CB 0.248 30.592 30.300 0.073 0.000 0.953 235 R HN 0.537 nan 8.270 nan 0.000 0.419 236 V N 3.839 123.602 119.914 -0.251 0.000 2.720 236 V HA -0.099 4.020 4.120 -0.000 0.000 0.307 236 V C 1.791 177.556 176.094 -0.549 0.000 1.071 236 V CA 0.158 62.092 62.300 -0.609 0.000 1.199 236 V CB -0.405 30.576 31.823 -1.403 0.000 0.900 236 V HN 1.062 nan 8.190 nan 0.000 0.494 237 C N 2.491 121.587 119.300 -0.340 0.000 2.419 237 C HA -0.063 4.397 4.460 -0.000 0.000 0.281 237 C C 2.012 177.036 174.990 0.057 0.000 1.336 237 C CA 0.651 59.656 59.018 -0.021 0.000 1.770 237 C CB -2.029 25.788 27.740 0.129 0.000 1.929 237 C HN 1.113 nan 8.230 nan 0.000 0.509 238 W N 1.280 122.658 121.300 0.130 0.000 2.937 238 W HA 0.319 4.979 4.660 -0.000 0.000 0.245 238 W C 0.894 177.474 176.519 0.101 0.000 1.306 238 W CA 0.630 58.040 57.345 0.107 0.000 1.470 238 W CB -0.715 28.805 29.460 0.100 0.000 1.132 238 W HN 0.213 nan 8.180 nan 0.000 0.675 239 D N 0.456 120.783 120.400 -0.121 0.000 2.804 239 D HA 0.170 4.810 4.640 -0.000 0.000 0.308 239 D C 0.266 176.585 176.300 0.032 0.000 1.371 239 D CA -0.347 53.643 54.000 -0.017 0.000 0.823 239 D CB 0.106 40.862 40.800 -0.074 0.000 1.126 239 D HN -0.065 nan 8.370 nan 0.000 0.467 240 R N -0.047 120.499 120.500 0.077 0.000 2.774 240 R HA 0.204 4.543 4.340 -0.000 0.000 0.269 240 R C 0.139 176.547 176.300 0.181 0.000 1.068 240 R CA -0.574 55.623 56.100 0.161 0.000 1.180 240 R CB 0.464 30.876 30.300 0.186 0.000 1.077 240 R HN 0.107 nan 8.270 nan 0.000 0.513 241 F N 3.075 123.060 119.950 0.058 0.000 2.623 241 F HA 0.048 4.575 4.527 -0.000 0.000 0.383 241 F C -1.784 174.072 175.800 0.093 0.000 1.077 241 F CA -1.843 56.139 58.000 -0.030 0.000 1.268 241 F CB 0.313 39.038 39.000 -0.457 0.000 1.053 241 F HN 0.290 nan 8.300 nan 0.000 0.571 242 P HA 0.209 nan 4.420 nan 0.000 0.264 242 P C 0.353 177.666 177.300 0.021 0.000 1.229 242 P CA 1.190 64.156 63.100 -0.223 0.000 0.780 242 P CB 0.315 31.815 31.700 -0.333 0.000 0.808 243 G N 2.336 111.222 108.800 0.144 0.000 2.179 243 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.220 243 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.220 243 G C 0.303 175.454 174.900 0.419 0.000 0.990 243 G CA -0.105 45.133 45.100 0.230 0.000 0.646 243 G HN 0.814 nan 8.290 nan 0.000 0.517 244 A N -0.023 123.030 122.820 0.390 0.000 2.304 244 A HA 0.666 4.986 4.320 -0.000 0.000 0.301 244 A C 1.012 178.750 177.584 0.258 0.000 1.132 244 A CA 0.633 52.891 52.037 0.369 0.000 0.819 244 A CB 0.610 19.838 19.000 0.380 0.000 1.094 244 A HN 0.041 nan 8.150 nan 0.000 0.492 245 D N -0.700 119.830 120.400 0.218 0.000 2.103 245 D HA 0.082 4.722 4.640 -0.000 0.000 0.199 245 D C 0.114 176.616 176.300 0.337 0.000 0.978 245 D CA 2.460 56.605 54.000 0.242 0.000 0.829 245 D CB -0.071 40.879 40.800 0.250 0.000 0.981 245 D HN 0.657 nan 8.370 nan 0.000 0.464 246 Y N -2.792 117.633 120.300 0.209 0.000 2.638 246 Y HA 0.679 5.229 4.550 -0.000 0.000 0.335 246 Y C -1.115 174.934 175.900 0.249 0.000 1.155 246 Y CA -1.296 56.920 58.100 0.193 0.000 1.046 246 Y CB 1.073 39.619 38.460 0.143 0.000 1.303 246 Y HN -0.392 nan 8.280 nan 0.000 0.460 247 S N 1.007 116.952 115.700 0.409 0.000 2.521 247 S HA 0.498 4.968 4.470 -0.000 0.000 0.295 247 S C -1.286 173.475 174.600 0.268 0.000 1.098 247 S CA -0.978 57.441 58.200 0.366 0.000 0.999 247 S CB 1.667 65.156 63.200 0.480 0.000 1.034 247 S HN 0.641 nan 8.310 nan 0.000 0.483 248 E N 1.272 121.561 120.200 0.148 0.000 2.212 248 E HA 0.689 5.039 4.350 -0.000 0.000 0.268 248 E C -0.954 175.733 176.600 0.144 0.000 0.902 248 E CA -0.953 55.579 56.400 0.220 0.000 0.779 248 E CB 1.994 31.950 29.700 0.426 0.000 1.172 248 E HN 0.458 nan 8.360 nan 0.000 0.409 249 V N -1.229 118.842 119.914 0.260 0.000 3.049 249 V HA 0.625 4.745 4.120 -0.000 0.000 0.309 249 V C -0.672 175.635 176.094 0.355 0.000 1.148 249 V CA -0.900 61.517 62.300 0.194 0.000 0.990 249 V CB 1.979 33.878 31.823 0.126 0.000 1.039 249 V HN 0.547 nan 8.190 nan 0.000 0.430 250 S N 1.457 117.345 115.700 0.314 0.000 2.448 250 S HA 0.476 4.946 4.470 -0.000 0.000 0.320 250 S C -0.860 173.873 174.600 0.223 0.000 1.071 250 S CA -0.452 57.941 58.200 0.322 0.000 1.113 250 S CB 0.134 63.592 63.200 0.429 0.000 0.972 250 S HN 0.850 nan 8.310 nan 0.000 0.465 251 D N 3.669 124.152 120.400 0.139 0.000 2.317 251 D HA 0.329 4.969 4.640 -0.000 0.000 0.234 251 D C -0.453 175.926 176.300 0.131 0.000 1.112 251 D CA -0.062 54.008 54.000 0.117 0.000 0.840 251 D CB 1.640 42.481 40.800 0.069 0.000 1.078 251 D HN 0.281 nan 8.370 nan 0.000 0.486 252 V N 2.906 122.905 119.914 0.142 0.000 2.427 252 V HA 0.221 4.341 4.120 -0.000 0.000 0.286 252 V C 0.445 176.605 176.094 0.109 0.000 1.034 252 V CA -0.925 61.465 62.300 0.150 0.000 0.893 252 V CB 1.965 33.860 31.823 0.121 0.000 0.982 252 V HN 0.233 nan 8.190 nan 0.000 0.452 253 V N 6.331 126.329 119.914 0.141 0.000 2.439 253 V HA 0.219 4.339 4.120 -0.000 0.000 0.271 253 V C 0.494 176.679 176.094 0.153 0.000 1.040 253 V CA -0.065 62.296 62.300 0.102 0.000 1.002 253 V CB 0.712 32.520 31.823 -0.026 0.000 1.000 253 V HN 0.701 nan 8.190 nan 0.000 0.477 254 M N 6.703 126.345 119.600 0.070 0.000 2.368 254 M HA 0.354 4.834 4.480 -0.000 0.000 0.311 254 M C -1.383 174.835 176.300 -0.136 0.000 1.168 254 M CA -2.452 52.776 55.300 -0.119 0.000 1.044 254 M CB 0.766 33.292 32.600 -0.124 0.000 1.506 254 M HN 0.214 nan 8.290 nan 0.000 0.475 255 P HA -0.076 nan 4.420 nan 0.000 0.221 255 P C 1.227 178.402 177.300 -0.208 0.000 1.145 255 P CA 1.220 64.027 63.100 -0.489 0.000 0.795 255 P CB -0.214 30.983 31.700 -0.838 0.000 0.775 256 C N -3.738 115.431 119.300 -0.217 0.000 2.522 256 C HA 0.519 4.979 4.460 -0.000 0.000 0.271 256 C C 2.027 177.031 174.990 0.023 0.000 1.425 256 C CA 0.099 59.126 59.018 0.015 0.000 1.751 256 C CB -1.489 26.327 27.740 0.126 0.000 1.775 256 C HN 0.404 nan 8.230 nan 0.000 0.557 257 G N 0.435 109.256 108.800 0.034 0.000 2.175 257 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 257 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 257 G C 0.168 175.078 174.900 0.017 0.000 0.982 257 G CA 0.075 45.191 45.100 0.027 0.000 0.641 257 G HN 0.691 nan 8.290 nan 0.000 0.527 258 R N -0.064 120.452 120.500 0.028 0.000 2.528 258 R HA 0.606 4.946 4.340 -0.000 0.000 0.271 258 R C 0.598 176.989 176.300 0.151 0.000 1.056 258 R CA 0.025 56.149 56.100 0.039 0.000 1.117 258 R CB 1.581 31.808 30.300 -0.123 0.000 1.085 258 R HN 0.577 nan 8.270 nan 0.000 0.530 259 V N 0.121 120.130 119.914 0.158 0.000 2.547 259 V HA 0.587 4.707 4.120 -0.000 0.000 0.299 259 V C -0.772 175.454 176.094 0.221 0.000 1.040 259 V CA -1.009 61.387 62.300 0.160 0.000 0.913 259 V CB 1.544 33.432 31.823 0.109 0.000 0.992 259 V HN 0.482 nan 8.190 nan 0.000 0.449 260 L N 3.384 124.690 121.223 0.139 0.000 2.349 260 L HA 0.475 4.815 4.340 -0.000 0.000 0.278 260 L C 0.022 176.944 176.870 0.087 0.000 0.996 260 L CA -0.248 54.639 54.840 0.078 0.000 0.825 260 L CB 1.639 43.622 42.059 -0.126 0.000 1.243 260 L HN 0.977 nan 8.230 nan 0.000 0.412 261 Q N 2.837 122.705 119.800 0.113 0.000 2.263 261 Q HA 0.118 4.458 4.340 -0.000 0.000 0.270 261 Q C -0.399 175.681 176.000 0.134 0.000 1.104 261 Q CA 0.390 56.272 55.803 0.132 0.000 0.909 261 Q CB 0.651 29.474 28.738 0.141 0.000 1.214 261 Q HN 0.868 nan 8.270 nan 0.000 0.400 262 T N 1.799 116.459 114.554 0.176 0.000 3.010 262 T HA 0.389 4.738 4.350 -0.000 0.000 0.257 262 T C -0.531 174.360 174.700 0.318 0.000 1.020 262 T CA 0.358 62.583 62.100 0.209 0.000 0.938 262 T CB 0.778 69.745 68.868 0.164 0.000 1.049 262 T HN 0.572 nan 8.240 nan 0.000 0.522 263 A N 0.445 123.389 122.820 0.207 0.000 2.520 263 A HA 0.780 5.100 4.320 -0.000 0.000 0.298 263 A C -0.473 177.035 177.584 -0.126 0.000 1.051 263 A CA -0.663 51.367 52.037 -0.012 0.000 0.690 263 A CB 1.516 20.380 19.000 -0.226 0.000 1.281 263 A HN 0.236 nan 8.150 nan 0.000 0.402 264 G N 0.758 109.398 108.800 -0.267 0.000 2.683 264 G HA2 0.600 4.560 3.960 -0.000 0.000 0.299 264 G HA3 0.600 4.560 3.960 -0.000 0.000 0.299 264 G C -1.182 173.211 174.900 -0.845 0.000 1.432 264 G CA -0.268 44.591 45.100 -0.402 0.000 0.978 264 G HN 0.633 nan 8.290 nan 0.000 0.513 265 I N 3.438 123.381 120.570 -1.045 0.000 2.468 265 I HA 0.349 4.519 4.170 -0.000 0.000 0.285 265 I C -0.919 174.747 176.117 -0.753 0.000 1.039 265 I CA -0.815 59.959 61.300 -0.876 0.000 1.074 265 I CB 1.940 39.492 38.000 -0.747 0.000 1.228 265 I HN 0.423 nan 8.210 nan 0.000 0.436 266 H N 4.521 123.450 119.070 -0.236 0.000 2.637 266 H HA 0.333 4.888 4.556 -0.000 0.000 0.363 266 H C -0.866 174.353 175.328 -0.182 0.000 1.131 266 H CA -0.809 55.129 56.048 -0.184 0.000 1.183 266 H CB 2.467 32.111 29.762 -0.196 0.000 1.637 266 H HN 0.401 nan 8.280 nan 0.000 0.531 267 N N 3.023 121.572 118.700 -0.250 0.000 2.485 267 N HA 0.108 4.848 4.740 -0.000 0.000 0.243 267 N C 0.573 176.043 175.510 -0.067 0.000 0.987 267 N CA -0.253 52.614 53.050 -0.305 0.000 0.940 267 N CB 0.602 38.533 38.487 -0.927 0.000 1.122 267 N HN 0.557 nan 8.380 nan 0.000 0.509 268 L N 2.393 123.678 121.223 0.104 0.000 2.558 268 L HA 0.201 4.541 4.340 -0.000 0.000 0.225 268 L C 1.629 178.638 176.870 0.232 0.000 1.128 268 L CA 0.231 55.212 54.840 0.236 0.000 0.868 268 L CB -0.711 41.509 42.059 0.268 0.000 1.006 268 L HN 0.707 nan 8.230 nan 0.000 0.454 269 G N 0.842 109.768 108.800 0.209 0.000 2.596 269 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.295 269 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.295 269 G C 0.416 175.397 174.900 0.134 0.000 1.240 269 G CA 0.508 45.761 45.100 0.255 0.000 0.985 269 G HN 0.394 nan 8.290 nan 0.000 0.555 270 Q N -0.367 119.438 119.800 0.008 0.000 2.247 270 Q HA 0.257 4.597 4.340 -0.000 0.000 0.211 270 Q C 2.424 178.365 176.000 -0.099 0.000 0.861 270 Q CA 0.195 55.917 55.803 -0.135 0.000 0.949 270 Q CB 0.580 29.163 28.738 -0.259 0.000 1.115 270 Q HN 0.557 nan 8.270 nan 0.000 0.507 271 R N 0.432 120.927 120.500 -0.008 0.000 2.097 271 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 271 R C 1.384 177.636 176.300 -0.080 0.000 1.135 271 R CA 1.765 57.828 56.100 -0.063 0.000 0.934 271 R CB -0.106 30.167 30.300 -0.045 0.000 0.846 271 R HN 0.171 nan 8.270 nan 0.000 0.431 272 F N 0.409 120.371 119.950 0.020 0.000 2.186 272 F HA -0.135 4.392 4.527 -0.000 0.000 0.299 272 F C 2.695 178.554 175.800 0.098 0.000 1.090 272 F CA 1.459 59.534 58.000 0.126 0.000 1.307 272 F CB -0.200 38.860 39.000 0.100 0.000 1.019 272 F HN 0.057 nan 8.300 nan 0.000 0.489 273 S N -0.791 114.979 115.700 0.118 0.000 2.370 273 S HA -0.251 4.219 4.470 -0.000 0.000 0.226 273 S C 2.266 176.834 174.600 -0.052 0.000 1.033 273 S CA 1.466 59.705 58.200 0.064 0.000 1.011 273 S CB -0.692 62.525 63.200 0.029 0.000 0.852 273 S HN 0.409 nan 8.310 nan 0.000 0.457 274 S N 0.963 116.427 115.700 -0.394 0.000 2.356 274 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 274 S C 1.978 176.495 174.600 -0.138 0.000 1.032 274 S CA 1.889 59.810 58.200 -0.466 0.000 1.005 274 S CB -0.811 62.100 63.200 -0.482 0.000 0.867 274 S HN 0.581 nan 8.310 nan 0.000 0.449 275 T N 0.854 115.336 114.554 -0.120 0.000 2.746 275 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 275 T C 0.964 175.472 174.700 -0.320 0.000 1.039 275 T CA 1.384 63.349 62.100 -0.224 0.000 1.142 275 T CB -0.415 68.276 68.868 -0.295 0.000 0.866 275 T HN 0.481 nan 8.240 nan 0.000 0.444 276 F N 1.095 121.040 119.950 -0.008 0.000 2.660 276 F HA 0.239 4.765 4.527 -0.000 0.000 0.302 276 F C 0.222 176.030 175.800 0.013 0.000 1.103 276 F CA -0.625 57.365 58.000 -0.017 0.000 1.340 276 F CB -0.471 38.534 39.000 0.009 0.000 1.048 276 F HN 0.052 nan 8.300 nan 0.000 0.551 277 D N 0.915 121.408 120.400 0.155 0.000 2.699 277 D HA -0.218 4.421 4.640 -0.000 0.000 0.239 277 D C -0.407 176.009 176.300 0.195 0.000 1.136 277 D CA 0.483 54.584 54.000 0.169 0.000 0.668 277 D CB -1.338 39.519 40.800 0.096 0.000 1.060 277 D HN 0.258 nan 8.370 nan 0.000 0.429 278 I N 0.823 121.545 120.570 0.254 0.000 2.337 278 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 278 I C 0.387 176.654 176.117 0.251 0.000 1.046 278 I CA -0.174 61.269 61.300 0.239 0.000 1.324 278 I CB 0.500 38.642 38.000 0.236 0.000 1.409 278 I HN 0.042 nan 8.210 nan 0.000 0.494 279 L N 7.625 128.939 121.223 0.151 0.000 2.422 279 L HA 0.519 4.859 4.340 -0.000 0.000 0.264 279 L C -1.137 175.816 176.870 0.138 0.000 0.984 279 L CA -0.961 53.904 54.840 0.041 0.000 0.819 279 L CB 2.261 44.271 42.059 -0.081 0.000 1.330 279 L HN 0.480 nan 8.230 nan 0.000 0.410 280 Y N 1.097 121.401 120.300 0.006 0.000 2.462 280 Y HA 0.850 5.399 4.550 -0.000 0.000 0.346 280 Y C -0.375 175.552 175.900 0.045 0.000 0.976 280 Y CA -1.286 56.836 58.100 0.037 0.000 1.044 280 Y CB 1.568 40.065 38.460 0.062 0.000 1.230 280 Y HN 0.560 nan 8.280 nan 0.000 0.455 281 A N 4.571 127.471 122.820 0.133 0.000 2.396 281 A HA 0.292 4.612 4.320 -0.000 0.000 0.279 281 A C 0.040 177.788 177.584 0.272 0.000 1.165 281 A CA -0.591 51.498 52.037 0.087 0.000 0.824 281 A CB -0.706 18.357 19.000 0.106 0.000 1.100 281 A HN 0.880 nan 8.150 nan 0.000 0.516 282 N N 2.790 121.551 118.700 0.101 0.000 2.322 282 N HA 0.114 4.854 4.740 -0.000 0.000 0.270 282 N C 0.668 176.236 175.510 0.097 0.000 1.286 282 N CA -0.333 52.843 53.050 0.211 0.000 0.948 282 N CB 0.316 38.825 38.487 0.036 0.000 1.164 282 N HN 0.439 nan 8.380 nan 0.000 0.551 283 K N -0.854 119.416 120.400 -0.217 0.000 2.152 283 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 283 K C 1.113 177.661 176.600 -0.087 0.000 1.048 283 K CA 1.642 57.727 56.287 -0.337 0.000 0.933 283 K CB -0.551 31.697 32.500 -0.419 0.000 0.721 283 K HN 0.710 nan 8.250 nan 0.000 0.447 284 A N 1.196 123.984 122.820 -0.053 0.000 2.370 284 A HA 0.058 4.378 4.320 -0.000 0.000 0.238 284 A C 0.147 177.729 177.584 -0.003 0.000 1.289 284 A CA -0.190 51.833 52.037 -0.023 0.000 0.885 284 A CB -0.214 18.769 19.000 -0.028 0.000 0.961 284 A HN 0.332 nan 8.150 nan 0.000 0.499 285 N N 0.231 118.945 118.700 0.022 0.000 2.741 285 N HA -0.138 4.602 4.740 -0.000 0.000 0.251 285 N C -0.594 174.911 175.510 -0.009 0.000 1.112 285 N CA 1.279 54.346 53.050 0.028 0.000 0.750 285 N CB -1.030 37.474 38.487 0.030 0.000 1.119 285 N HN 0.812 nan 8.380 nan 0.000 0.561 286 E N 0.166 120.344 120.200 -0.037 0.000 2.301 286 E HA 0.251 4.601 4.350 -0.000 0.000 0.275 286 E C 0.066 176.587 176.600 -0.131 0.000 1.030 286 E CA -0.247 56.109 56.400 -0.073 0.000 0.852 286 E CB 1.115 30.769 29.700 -0.077 0.000 1.060 286 E HN 0.093 nan 8.360 nan 0.000 0.401 287 S N 2.450 118.067 115.700 -0.138 0.000 2.439 287 S HA 0.341 4.811 4.470 -0.000 0.000 0.282 287 S C -0.479 173.949 174.600 -0.287 0.000 1.170 287 S CA -0.720 57.364 58.200 -0.193 0.000 1.054 287 S CB -0.152 62.967 63.200 -0.137 0.000 0.956 287 S HN 0.382 nan 8.310 nan 0.000 0.490 288 V N 3.320 122.972 119.914 -0.437 0.000 3.007 288 V HA 0.605 4.725 4.120 -0.000 0.000 0.311 288 V C -0.856 174.986 176.094 -0.419 0.000 1.120 288 V CA -1.095 60.935 62.300 -0.450 0.000 0.980 288 V CB 1.576 33.144 31.823 -0.426 0.000 1.033 288 V HN 0.828 nan 8.190 nan 0.000 0.429 289 H N 3.662 122.657 119.070 -0.126 0.000 2.690 289 H HA 0.478 5.034 4.556 -0.000 0.000 0.314 289 H C -2.347 172.977 175.328 -0.007 0.000 1.069 289 H CA -1.332 54.685 56.048 -0.051 0.000 1.436 289 H CB 1.879 31.583 29.762 -0.097 0.000 1.462 289 H HN 0.611 nan 8.280 nan 0.000 0.511 290 P HA 0.129 nan 4.420 nan 0.000 0.277 290 P C -0.788 176.524 177.300 0.020 0.000 1.271 290 P CA -0.394 62.876 63.100 0.284 0.000 0.795 290 P CB 1.010 32.866 31.700 0.260 0.000 1.101 291 Y N -0.691 119.729 120.300 0.199 0.000 2.342 291 Y HA 0.451 5.001 4.550 -0.000 0.000 0.334 291 Y C 0.577 176.588 175.900 0.184 0.000 1.067 291 Y CA -0.591 57.616 58.100 0.179 0.000 1.128 291 Y CB 1.127 39.693 38.460 0.176 0.000 1.200 291 Y HN 0.012 nan 8.280 nan 0.000 0.464 292 L N 3.151 124.519 121.223 0.242 0.000 2.346 292 L HA 0.710 5.050 4.340 -0.000 0.000 0.274 292 L C -0.271 176.719 176.870 0.201 0.000 1.007 292 L CA -0.751 54.169 54.840 0.132 0.000 0.818 292 L CB 2.185 44.125 42.059 -0.199 0.000 1.284 292 L HN 0.719 nan 8.230 nan 0.000 0.424 293 T N -1.299 113.406 114.554 0.252 0.000 2.906 293 T HA 0.763 5.113 4.350 -0.000 0.000 0.295 293 T C -0.502 174.291 174.700 0.156 0.000 1.075 293 T CA -0.811 61.424 62.100 0.224 0.000 1.005 293 T CB 1.904 70.960 68.868 0.314 0.000 1.136 293 T HN 0.860 nan 8.240 nan 0.000 0.498 294 C N -0.155 119.128 119.300 -0.029 0.000 3.241 294 C HA 1.044 5.504 4.460 -0.000 0.000 0.312 294 C C -0.652 173.915 174.990 -0.704 0.000 1.350 294 C CA -0.612 58.160 59.018 -0.409 0.000 1.415 294 C CB 0.740 28.163 27.740 -0.529 0.000 1.770 294 C HN 1.557 nan 8.230 nan 0.000 0.466 295 A N 0.416 122.634 122.820 -1.002 0.000 2.520 295 A HA 0.984 5.303 4.320 -0.000 0.000 0.298 295 A C -0.496 176.596 177.584 -0.820 0.000 1.051 295 A CA 0.331 51.746 52.037 -1.036 0.000 0.690 295 A CB 1.371 19.419 19.000 -1.587 0.000 1.281 295 A HN 2.532 nan 8.150 nan 0.000 0.402 296 G N 0.721 109.122 108.800 -0.665 0.000 2.687 296 G HA2 0.703 4.663 3.960 -0.000 0.000 0.301 296 G HA3 0.703 4.663 3.960 -0.000 0.000 0.301 296 G C -0.813 173.878 174.900 -0.348 0.000 1.416 296 G CA -0.344 44.365 45.100 -0.651 0.000 1.005 296 G HN 1.518 nan 8.290 nan 0.000 0.509 297 I N -0.253 120.161 120.570 -0.260 0.000 2.730 297 I HA 0.899 5.068 4.170 -0.000 0.000 0.298 297 I C -0.007 176.172 176.117 0.103 0.000 1.089 297 I CA -0.958 60.331 61.300 -0.019 0.000 1.041 297 I CB 2.472 40.483 38.000 0.017 0.000 1.235 297 I HN 0.586 nan 8.210 nan 0.000 0.423 298 S N 1.206 117.025 115.700 0.198 0.000 2.971 298 S HA 0.422 4.892 4.470 -0.000 0.000 0.320 298 S C 1.011 175.735 174.600 0.207 0.000 1.111 298 S CA 0.196 58.555 58.200 0.265 0.000 0.870 298 S CB 0.956 64.343 63.200 0.310 0.000 1.331 298 S HN 0.857 nan 8.310 nan 0.000 0.635 299 T N -0.589 114.107 114.554 0.237 0.000 3.025 299 T HA -0.039 4.311 4.350 -0.000 0.000 0.270 299 T C 1.548 176.343 174.700 0.158 0.000 1.126 299 T CA 0.934 63.178 62.100 0.241 0.000 1.105 299 T CB -0.606 68.453 68.868 0.317 0.000 0.884 299 T HN 0.591 nan 8.240 nan 0.000 0.522 300 R N 0.588 121.157 120.500 0.115 0.000 2.152 300 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 300 R C 2.405 178.690 176.300 -0.025 0.000 1.117 300 R CA 1.074 57.195 56.100 0.036 0.000 0.981 300 R CB -0.743 29.575 30.300 0.030 0.000 0.870 300 R HN 0.350 nan 8.270 nan 0.000 0.451 301 V N 1.366 121.284 119.914 0.007 0.000 2.261 301 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 301 V C 2.210 178.271 176.094 -0.056 0.000 1.047 301 V CA 1.660 63.917 62.300 -0.071 0.000 1.015 301 V CB -0.559 31.279 31.823 0.025 0.000 0.642 301 V HN 0.235 nan 8.190 nan 0.000 0.446 302 L N 1.040 122.284 121.223 0.034 0.000 2.012 302 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 302 L C 2.501 179.404 176.870 0.055 0.000 1.073 302 L CA 2.444 57.322 54.840 0.062 0.000 0.748 302 L CB -1.130 40.998 42.059 0.115 0.000 0.891 302 L HN 0.241 nan 8.230 nan 0.000 0.431 303 A N -1.153 121.717 122.820 0.084 0.000 1.903 303 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 303 A C 2.422 180.012 177.584 0.010 0.000 1.191 303 A CA 2.230 54.364 52.037 0.163 0.000 0.638 303 A CB -1.593 17.470 19.000 0.104 0.000 0.823 303 A HN 0.666 nan 8.150 nan 0.000 0.451 304 C N -1.274 117.867 119.300 -0.265 0.000 2.436 304 C HA 0.048 4.507 4.460 -0.000 0.000 0.277 304 C C 3.356 177.937 174.990 -0.682 0.000 1.241 304 C CA 0.851 59.504 59.018 -0.608 0.000 1.721 304 C CB -1.491 25.590 27.740 -1.097 0.000 2.043 304 C HN 0.727 nan 8.230 nan 0.000 0.472 305 A N 0.576 123.044 122.820 -0.587 0.000 1.873 305 A HA -0.165 4.154 4.320 -0.000 0.000 0.218 305 A C 2.131 179.723 177.584 0.013 0.000 1.193 305 A CA 1.825 53.741 52.037 -0.202 0.000 0.629 305 A CB -0.772 18.299 19.000 0.119 0.000 0.826 305 A HN 0.630 nan 8.150 nan 0.000 0.447 306 L N -0.579 120.697 121.223 0.087 0.000 2.017 306 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 306 L C 2.878 179.925 176.870 0.296 0.000 1.073 306 L CA 1.638 56.605 54.840 0.213 0.000 0.745 306 L CB -0.577 41.608 42.059 0.210 0.000 0.894 306 L HN 0.352 nan 8.230 nan 0.000 0.432 307 S N -0.021 115.836 115.700 0.261 0.000 2.371 307 S HA -0.050 4.420 4.470 -0.000 0.000 0.224 307 S C 1.968 176.488 174.600 -0.134 0.000 1.029 307 S CA 1.057 59.439 58.200 0.304 0.000 0.978 307 S CB -0.158 63.231 63.200 0.314 0.000 0.833 307 S HN 0.270 nan 8.310 nan 0.000 0.466 308 I N 0.902 121.286 120.570 -0.309 0.000 2.286 308 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 308 I C 2.151 178.031 176.117 -0.395 0.000 1.104 308 I CA 1.117 62.130 61.300 -0.479 0.000 1.397 308 I CB -0.354 37.322 38.000 -0.541 0.000 1.072 308 I HN 0.319 nan 8.210 nan 0.000 0.417 309 H N 0.589 119.614 119.070 -0.075 0.000 2.535 309 H HA 0.162 4.718 4.556 -0.000 0.000 0.273 309 H C 1.362 176.694 175.328 0.007 0.000 0.983 309 H CA 0.413 56.444 56.048 -0.028 0.000 1.238 309 H CB -0.559 29.216 29.762 0.021 0.000 1.412 309 H HN 0.224 nan 8.280 nan 0.000 0.562 310 G N 1.476 110.362 108.800 0.143 0.000 2.614 310 G HA2 0.208 4.168 3.960 -0.000 0.000 0.239 310 G HA3 0.208 4.168 3.960 -0.000 0.000 0.239 310 G C -0.056 174.889 174.900 0.074 0.000 1.240 310 G CA 0.041 45.295 45.100 0.257 0.000 0.842 310 G HN 0.383 nan 8.290 nan 0.000 0.584 311 D N -2.758 117.807 120.400 0.275 0.000 2.837 311 D HA 0.299 4.939 4.640 -0.000 0.000 0.294 311 D C 1.368 177.925 176.300 0.427 0.000 1.158 311 D CA 0.151 54.261 54.000 0.183 0.000 1.073 311 D CB 0.261 41.144 40.800 0.139 0.000 1.419 311 D HN 0.391 nan 8.370 nan 0.000 0.584 312 S N -1.712 114.174 115.700 0.310 0.000 2.474 312 S HA 0.067 4.537 4.470 -0.000 0.000 0.235 312 S C 1.825 176.695 174.600 0.449 0.000 0.997 312 S CA 0.895 59.323 58.200 0.380 0.000 0.949 312 S CB -0.932 62.388 63.200 0.200 0.000 0.766 312 S HN 0.678 nan 8.310 nan 0.000 0.517 313 G N 0.178 109.200 108.800 0.370 0.000 2.777 313 G HA2 0.511 4.471 3.960 -0.000 0.000 0.211 313 G HA3 0.511 4.471 3.960 -0.000 0.000 0.211 313 G C 0.783 175.833 174.900 0.249 0.000 1.149 313 G CA 0.190 45.474 45.100 0.306 0.000 0.785 313 G HN 1.143 nan 8.290 nan 0.000 0.536 314 G N -0.568 108.421 108.800 0.316 0.000 2.250 314 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.189 314 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.189 314 G C -0.519 174.453 174.900 0.120 0.000 1.298 314 G CA -0.577 44.459 45.100 -0.108 0.000 1.246 314 G HN 0.360 nan 8.290 nan 0.000 0.513 315 L N 0.430 121.615 121.223 -0.062 0.000 2.436 315 L HA 0.613 4.952 4.340 -0.000 0.000 0.265 315 L C 0.036 176.988 176.870 0.137 0.000 1.168 315 L CA -0.726 54.165 54.840 0.085 0.000 0.815 315 L CB 1.299 43.359 42.059 0.002 0.000 1.109 315 L HN 0.387 nan 8.230 nan 0.000 0.462 316 V N 3.997 124.029 119.914 0.197 0.000 2.462 316 V HA 0.336 4.456 4.120 -0.000 0.000 0.288 316 V C -0.226 175.989 176.094 0.200 0.000 1.020 316 V CA -0.355 62.066 62.300 0.203 0.000 0.857 316 V CB 1.581 33.517 31.823 0.189 0.000 1.013 316 V HN 0.485 nan 8.190 nan 0.000 0.431 317 L N 6.579 127.932 121.223 0.217 0.000 2.275 317 L HA 0.524 4.864 4.340 -0.000 0.000 0.288 317 L C -2.344 174.656 176.870 0.217 0.000 1.046 317 L CA -1.795 53.152 54.840 0.178 0.000 0.805 317 L CB 1.894 44.026 42.059 0.122 0.000 1.193 317 L HN 0.347 nan 8.230 nan 0.000 0.426 318 P HA 0.055 nan 4.420 nan 0.000 0.267 318 P C -2.058 175.363 177.300 0.203 0.000 1.200 318 P CA -0.924 62.243 63.100 0.111 0.000 0.772 318 P CB 0.190 31.930 31.700 0.067 0.000 0.855 319 P HA -0.172 nan 4.420 nan 0.000 0.216 319 P C 1.468 178.941 177.300 0.288 0.000 1.150 319 P CA 0.850 64.125 63.100 0.291 0.000 0.843 319 P CB -0.209 31.604 31.700 0.189 0.000 0.787 320 L N 0.165 121.503 121.223 0.192 0.000 2.043 320 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 320 L C 1.822 178.788 176.870 0.160 0.000 1.075 320 L CA 1.937 56.870 54.840 0.156 0.000 0.752 320 L CB -0.969 41.146 42.059 0.093 0.000 0.891 320 L HN -0.003 nan 8.230 nan 0.000 0.432 321 I N -3.172 117.485 120.570 0.144 0.000 3.976 321 I HA 0.417 4.587 4.170 -0.000 0.000 0.337 321 I C 0.795 176.970 176.117 0.096 0.000 1.359 321 I CA -0.184 61.201 61.300 0.143 0.000 1.098 321 I CB -0.442 37.606 38.000 0.080 0.000 1.027 321 I HN 0.110 nan 8.210 nan 0.000 0.394 322 A N 2.695 125.526 122.820 0.019 0.000 2.410 322 A HA 0.447 4.767 4.320 -0.000 0.000 0.292 322 A C -1.515 175.758 177.584 -0.519 0.000 1.232 322 A CA -1.123 50.807 52.037 -0.180 0.000 0.893 322 A CB -0.153 18.794 19.000 -0.088 0.000 1.131 322 A HN 0.121 nan 8.150 nan 0.000 0.530 323 P HA -0.092 nan 4.420 nan 0.000 0.217 323 P C -0.134 176.693 177.300 -0.788 0.000 1.148 323 P CA 1.287 63.585 63.100 -1.337 0.000 0.828 323 P CB 0.070 31.139 31.700 -1.050 0.000 0.783 324 I N -2.391 117.914 120.570 -0.442 0.000 2.447 324 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 324 I C 1.027 177.000 176.117 -0.239 0.000 1.023 324 I CA -0.543 60.588 61.300 -0.282 0.000 1.083 324 I CB 1.738 39.680 38.000 -0.096 0.000 1.245 324 I HN -0.142 nan 8.210 nan 0.000 0.434 325 H N 3.804 122.806 119.070 -0.114 0.000 2.363 325 H HA 0.137 4.693 4.556 -0.000 0.000 0.301 325 H C -0.132 175.117 175.328 -0.132 0.000 1.074 325 H CA 0.866 56.848 56.048 -0.110 0.000 1.354 325 H CB 0.420 30.131 29.762 -0.085 0.000 1.397 325 H HN 0.248 nan 8.280 nan 0.000 0.516 326 V N 1.186 121.101 119.914 0.001 0.000 2.623 326 V HA 0.186 4.306 4.120 -0.000 0.000 0.304 326 V C -0.893 175.131 176.094 -0.116 0.000 1.054 326 V CA -0.896 61.365 62.300 -0.064 0.000 0.882 326 V CB 2.522 34.318 31.823 -0.046 0.000 1.002 326 V HN -0.043 nan 8.190 nan 0.000 0.424 327 V N 6.807 126.609 119.914 -0.186 0.000 2.394 327 V HA 0.580 4.699 4.120 -0.000 0.000 0.282 327 V C -0.285 175.675 176.094 -0.223 0.000 1.031 327 V CA -0.257 61.860 62.300 -0.304 0.000 0.881 327 V CB 1.300 32.719 31.823 -0.673 0.000 0.982 327 V HN 0.739 nan 8.190 nan 0.000 0.451 328 I N 7.940 128.408 120.570 -0.169 0.000 2.321 328 I HA 0.465 4.635 4.170 -0.000 0.000 0.291 328 I C -0.411 175.656 176.117 -0.083 0.000 0.998 328 I CA -0.337 60.903 61.300 -0.100 0.000 1.227 328 I CB 1.457 39.420 38.000 -0.061 0.000 1.368 328 I HN 0.415 nan 8.210 nan 0.000 0.466 329 I N 8.313 128.855 120.570 -0.047 0.000 2.411 329 I HA 0.315 4.485 4.170 -0.000 0.000 0.284 329 I C -2.322 173.822 176.117 0.046 0.000 1.012 329 I CA -2.090 59.212 61.300 0.003 0.000 1.119 329 I CB 2.029 40.038 38.000 0.015 0.000 1.261 329 I HN 0.257 nan 8.210 nan 0.000 0.448 330 P HA 0.222 nan 4.420 nan 0.000 0.271 330 P C -0.748 176.616 177.300 0.106 0.000 1.220 330 P CA 0.109 63.281 63.100 0.120 0.000 0.768 330 P CB 0.776 32.617 31.700 0.235 0.000 0.848 331 I N -2.000 118.599 120.570 0.048 0.000 2.797 331 I HA 0.767 4.936 4.170 -0.000 0.000 0.307 331 I C 0.943 177.044 176.117 -0.026 0.000 1.033 331 I CA -0.927 60.386 61.300 0.021 0.000 1.071 331 I CB 1.580 39.593 38.000 0.022 0.000 1.255 331 I HN 0.549 nan 8.210 nan 0.000 0.445 332 G N 2.634 111.406 108.800 -0.045 0.000 2.179 332 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.257 332 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.257 332 G C 0.161 174.978 174.900 -0.139 0.000 1.010 332 G CA 0.246 45.303 45.100 -0.072 0.000 0.736 332 G HN 0.824 nan 8.290 nan 0.000 0.513 333 C N -1.086 118.067 119.300 -0.245 0.000 2.345 333 C HA 0.789 5.249 4.460 -0.000 0.000 0.369 333 C C 2.038 176.741 174.990 -0.478 0.000 1.273 333 C CA 0.717 59.465 59.018 -0.451 0.000 2.310 333 C CB 0.760 27.980 27.740 -0.866 0.000 2.219 333 C HN 2.069 nan 8.230 nan 0.000 0.587 334 G N 0.985 109.491 108.800 -0.491 0.000 2.148 334 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.254 334 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.254 334 G C 0.013 174.821 174.900 -0.153 0.000 0.981 334 G CA 0.290 45.207 45.100 -0.304 0.000 0.670 334 G HN 0.767 nan 8.290 nan 0.000 0.528 335 K N -0.044 120.274 120.400 -0.137 0.000 2.149 335 K HA 0.340 4.660 4.320 -0.000 0.000 0.245 335 K C 0.770 177.335 176.600 -0.059 0.000 1.024 335 K CA -0.374 55.864 56.287 -0.082 0.000 0.899 335 K CB 0.554 33.011 32.500 -0.071 0.000 1.038 335 K HN 0.149 nan 8.250 nan 0.000 0.496 336 K N 1.840 122.216 120.400 -0.041 0.000 2.412 336 K HA -0.111 4.209 4.320 -0.000 0.000 0.284 336 K C -0.153 176.431 176.600 -0.026 0.000 1.046 336 K CA 0.482 56.752 56.287 -0.028 0.000 0.999 336 K CB -0.037 32.450 32.500 -0.021 0.000 0.941 336 K HN 0.610 nan 8.250 nan 0.000 0.474 337 N N 2.796 121.483 118.700 -0.022 0.000 2.758 337 N HA -0.216 4.524 4.740 -0.000 0.000 0.248 337 N C -1.228 174.270 175.510 -0.021 0.000 1.076 337 N CA 0.837 53.877 53.050 -0.017 0.000 0.696 337 N CB -1.247 37.232 38.487 -0.013 0.000 0.979 337 N HN 0.710 nan 8.380 nan 0.000 0.550 338 N N -0.345 118.338 118.700 -0.029 0.000 2.451 338 N HA 0.284 5.024 4.740 -0.000 0.000 0.271 338 N C 0.554 176.044 175.510 -0.034 0.000 1.410 338 N CA -0.155 52.874 53.050 -0.035 0.000 0.884 338 N CB 0.419 38.876 38.487 -0.050 0.000 1.332 338 N HN 0.283 nan 8.380 nan 0.000 0.498 339 Q N 0.030 119.818 119.800 -0.019 0.000 2.167 339 Q HA -0.033 4.306 4.340 -0.000 0.000 0.202 339 Q C 1.595 177.597 176.000 0.003 0.000 0.970 339 Q CA 1.124 56.925 55.803 -0.005 0.000 0.855 339 Q CB 0.107 28.850 28.738 0.008 0.000 0.911 339 Q HN 0.519 nan 8.270 nan 0.000 0.438 340 E N -0.334 119.865 120.200 -0.001 0.000 2.031 340 E HA -0.195 4.154 4.350 -0.000 0.000 0.193 340 E C 1.919 178.520 176.600 0.002 0.000 0.994 340 E CA 1.291 57.693 56.400 0.003 0.000 0.800 340 E CB -0.148 29.552 29.700 0.000 0.000 0.752 340 E HN 0.258 nan 8.360 nan 0.000 0.447 341 S N 0.083 115.779 115.700 -0.007 0.000 2.399 341 S HA -0.158 4.311 4.470 -0.000 0.000 0.231 341 S C 1.395 175.990 174.600 -0.009 0.000 1.022 341 S CA 1.538 59.732 58.200 -0.010 0.000 0.983 341 S CB -0.340 62.848 63.200 -0.020 0.000 0.803 341 S HN 0.295 nan 8.310 nan 0.000 0.480 342 D N 0.990 121.380 120.400 -0.016 0.000 2.117 342 D HA -0.056 4.584 4.640 -0.000 0.000 0.198 342 D C 2.242 178.576 176.300 0.056 0.000 0.982 342 D CA 0.952 54.949 54.000 -0.006 0.000 0.828 342 D CB -0.382 40.393 40.800 -0.041 0.000 0.967 342 D HN 0.399 nan 8.370 nan 0.000 0.464 343 Q N 0.422 120.253 119.800 0.051 0.000 2.224 343 Q HA -0.068 4.271 4.340 -0.000 0.000 0.203 343 Q C 2.111 178.135 176.000 0.040 0.000 0.970 343 Q CA 0.764 56.601 55.803 0.056 0.000 0.865 343 Q CB -0.200 28.563 28.738 0.043 0.000 0.922 343 Q HN 0.533 nan 8.270 nan 0.000 0.445 344 Q N -0.249 119.567 119.800 0.027 0.000 2.046 344 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 344 Q C 2.260 178.275 176.000 0.024 0.000 0.975 344 Q CA 1.358 57.172 55.803 0.020 0.000 0.836 344 Q CB -0.016 28.728 28.738 0.011 0.000 0.896 344 Q HN 0.144 nan 8.270 nan 0.000 0.428 345 V N 1.231 121.162 119.914 0.029 0.000 2.295 345 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 345 V C 2.188 178.315 176.094 0.054 0.000 1.049 345 V CA 1.619 63.941 62.300 0.036 0.000 1.024 345 V CB -0.491 31.352 31.823 0.033 0.000 0.648 345 V HN 0.345 nan 8.190 nan 0.000 0.447 346 L N 0.119 121.390 121.223 0.079 0.000 2.093 346 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 346 L C 2.660 179.555 176.870 0.041 0.000 1.085 346 L CA 1.597 56.486 54.840 0.080 0.000 0.755 346 L CB -1.168 40.957 42.059 0.110 0.000 0.904 346 L HN 0.471 nan 8.230 nan 0.000 0.435 347 G N -0.015 108.806 108.800 0.034 0.000 2.440 347 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 347 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 347 G C 1.680 176.589 174.900 0.014 0.000 1.154 347 G CA 0.807 45.919 45.100 0.020 0.000 0.767 347 G HN 0.153 nan 8.290 nan 0.000 0.552 348 K N -0.004 120.405 120.400 0.016 0.000 2.103 348 K HA 0.119 4.439 4.320 -0.000 0.000 0.204 348 K C 2.573 179.178 176.600 0.008 0.000 1.052 348 K CA 0.449 56.742 56.287 0.010 0.000 0.945 348 K CB -0.542 31.963 32.500 0.009 0.000 0.722 348 K HN 0.162 nan 8.250 nan 0.000 0.443 349 V N 1.813 121.735 119.914 0.013 0.000 2.343 349 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 349 V C 1.765 177.858 176.094 -0.001 0.000 1.051 349 V CA 1.891 64.195 62.300 0.008 0.000 1.036 349 V CB -0.521 31.314 31.823 0.019 0.000 0.654 349 V HN 0.401 nan 8.190 nan 0.000 0.451 350 N N -0.193 118.508 118.700 0.002 0.000 2.188 350 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 350 N C 1.829 177.336 175.510 -0.004 0.000 1.018 350 N CA 1.199 54.247 53.050 -0.004 0.000 0.858 350 N CB -0.188 38.298 38.487 -0.002 0.000 0.989 350 N HN 0.592 nan 8.380 nan 0.000 0.426 351 E N 0.673 120.872 120.200 -0.002 0.000 2.077 351 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 351 E C 2.035 178.632 176.600 -0.005 0.000 0.989 351 E CA 0.599 56.997 56.400 -0.003 0.000 0.800 351 E CB -0.031 29.669 29.700 -0.001 0.000 0.746 351 E HN 0.365 nan 8.360 nan 0.000 0.452 352 I N 1.063 121.629 120.570 -0.007 0.000 2.202 352 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 352 I C 2.623 178.732 176.117 -0.013 0.000 1.091 352 I CA 0.922 62.216 61.300 -0.011 0.000 1.368 352 I CB -0.353 37.640 38.000 -0.013 0.000 1.058 352 I HN 0.046 nan 8.210 nan 0.000 0.410 353 A N 0.728 123.540 122.820 -0.014 0.000 1.883 353 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 353 A C 1.966 179.544 177.584 -0.010 0.000 1.186 353 A CA 2.277 54.305 52.037 -0.016 0.000 0.624 353 A CB -0.717 18.272 19.000 -0.019 0.000 0.822 353 A HN 0.363 nan 8.150 nan 0.000 0.444 354 D N -0.700 119.695 120.400 -0.008 0.000 2.123 354 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 354 D C 2.022 178.320 176.300 -0.004 0.000 0.992 354 D CA 1.859 55.856 54.000 -0.005 0.000 0.833 354 D CB -0.697 40.100 40.800 -0.004 0.000 0.954 354 D HN 0.420 nan 8.370 nan 0.000 0.455 355 T N 1.012 115.563 114.554 -0.006 0.000 2.737 355 T HA -0.029 4.321 4.350 -0.000 0.000 0.265 355 T C 2.206 176.901 174.700 -0.007 0.000 1.038 355 T CA 0.503 62.599 62.100 -0.007 0.000 1.144 355 T CB -0.188 68.675 68.868 -0.008 0.000 0.866 355 T HN 0.117 nan 8.240 nan 0.000 0.434 356 L N 0.315 121.532 121.223 -0.009 0.000 2.093 356 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 356 L C 2.668 179.538 176.870 0.001 0.000 1.085 356 L CA 1.323 56.157 54.840 -0.010 0.000 0.755 356 L CB -0.448 41.603 42.059 -0.013 0.000 0.904 356 L HN 0.212 nan 8.230 nan 0.000 0.435 357 K N -0.324 120.079 120.400 0.004 0.000 2.007 357 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 357 K C 2.291 178.898 176.600 0.012 0.000 1.047 357 K CA 1.657 57.951 56.287 0.013 0.000 0.937 357 K CB -0.043 32.461 32.500 0.008 0.000 0.718 357 K HN 0.158 nan 8.250 nan 0.000 0.438 358 S N 0.963 116.667 115.700 0.006 0.000 2.388 358 S HA 0.000 4.470 4.470 -0.000 0.000 0.223 358 S C 1.758 176.360 174.600 0.003 0.000 1.034 358 S CA 0.863 59.067 58.200 0.005 0.000 0.963 358 S CB 0.061 63.263 63.200 0.003 0.000 0.827 358 S HN 0.226 nan 8.310 nan 0.000 0.481 359 K N 0.843 121.242 120.400 -0.001 0.000 2.098 359 K HA 0.206 4.526 4.320 -0.000 0.000 0.203 359 K C 1.626 178.223 176.600 -0.006 0.000 1.051 359 K CA 0.761 57.046 56.287 -0.004 0.000 0.957 359 K CB -0.106 32.391 32.500 -0.006 0.000 0.738 359 K HN 0.256 nan 8.250 nan 0.000 0.447 360 L N -0.777 120.441 121.223 -0.008 0.000 2.556 360 L HA 0.186 4.526 4.340 -0.000 0.000 0.226 360 L C 1.084 177.949 176.870 -0.008 0.000 1.089 360 L CA 0.319 55.150 54.840 -0.015 0.000 0.864 360 L CB 0.352 42.395 42.059 -0.027 0.000 1.067 360 L HN 0.433 nan 8.230 nan 0.000 0.477 361 G N 0.911 109.716 108.800 0.009 0.000 2.143 361 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.249 361 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.249 361 G C 0.271 175.210 174.900 0.066 0.000 0.981 361 G CA -0.068 45.050 45.100 0.031 0.000 0.665 361 G HN 0.195 nan 8.290 nan 0.000 0.528 362 L N -0.181 121.077 121.223 0.059 0.000 2.453 362 L HA 0.444 4.784 4.340 -0.000 0.000 0.261 362 L C 1.255 178.237 176.870 0.186 0.000 1.179 362 L CA -0.596 54.343 54.840 0.164 0.000 0.813 362 L CB 0.456 42.549 42.059 0.057 0.000 1.110 362 L HN 0.096 nan 8.230 nan 0.000 0.466 363 R N 1.440 122.105 120.500 0.276 0.000 2.202 363 R HA 0.469 4.808 4.340 -0.000 0.000 0.334 363 R C -1.133 175.162 176.300 -0.009 0.000 1.036 363 R CA -0.413 55.694 56.100 0.010 0.000 0.878 363 R CB 1.089 31.261 30.300 -0.214 0.000 1.067 363 R HN 0.306 nan 8.270 nan 0.000 0.457 364 V N 1.716 121.618 119.914 -0.019 0.000 2.588 364 V HA 0.351 4.471 4.120 -0.000 0.000 0.304 364 V C -0.274 175.791 176.094 -0.047 0.000 1.042 364 V CA -0.713 61.568 62.300 -0.033 0.000 0.877 364 V CB 1.956 33.767 31.823 -0.020 0.000 0.996 364 V HN 0.719 nan 8.190 nan 0.000 0.425 365 S N 4.489 120.147 115.700 -0.069 0.000 2.513 365 S HA 0.766 5.236 4.470 -0.000 0.000 0.299 365 S C -0.881 173.666 174.600 -0.089 0.000 1.087 365 S CA -0.546 57.617 58.200 -0.061 0.000 1.012 365 S CB 1.011 64.187 63.200 -0.040 0.000 1.044 365 S HN 0.560 nan 8.310 nan 0.000 0.485 366 I N 3.512 124.046 120.570 -0.059 0.000 2.339 366 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 366 I C -0.591 175.499 176.117 -0.045 0.000 0.994 366 I CA -0.526 60.737 61.300 -0.061 0.000 1.191 366 I CB 1.567 39.541 38.000 -0.044 0.000 1.343 366 I HN 0.558 nan 8.210 nan 0.000 0.458 367 D N 6.507 126.881 120.400 -0.043 0.000 2.499 367 D HA 0.090 4.730 4.640 -0.000 0.000 0.225 367 D C 0.055 176.351 176.300 -0.006 0.000 1.124 367 D CA -0.268 53.741 54.000 0.015 0.000 0.938 367 D CB 0.616 41.487 40.800 0.119 0.000 1.014 367 D HN 0.491 nan 8.370 nan 0.000 0.517 368 D N 0.986 121.330 120.400 -0.093 0.000 2.427 368 D HA -0.013 4.627 4.640 -0.000 0.000 0.224 368 D C 0.056 176.058 176.300 -0.496 0.000 1.157 368 D CA -0.462 53.390 54.000 -0.246 0.000 0.828 368 D CB -0.014 40.613 40.800 -0.289 0.000 0.974 368 D HN 0.072 nan 8.370 nan 0.000 0.498 369 D N 0.479 120.748 120.400 -0.218 0.000 2.359 369 D HA -0.035 4.605 4.640 -0.000 0.000 0.250 369 D C 0.108 176.396 176.300 -0.020 0.000 1.264 369 D CA -0.393 53.502 54.000 -0.174 0.000 0.911 369 D CB 0.075 40.830 40.800 -0.074 0.000 1.056 369 D HN -0.027 nan 8.370 nan 0.000 0.499 370 F N 1.241 121.193 119.950 0.002 0.000 2.661 370 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 370 F C 2.601 178.400 175.800 -0.001 0.000 1.137 370 F CA 0.236 58.238 58.000 0.003 0.000 1.454 370 F CB -0.866 38.135 39.000 0.002 0.000 1.103 370 F HN 0.351 nan 8.300 nan 0.000 0.577 371 S N -0.734 115.051 115.700 0.141 0.000 2.481 371 S HA -0.033 4.437 4.470 -0.000 0.000 0.231 371 S C 0.755 175.386 174.600 0.053 0.000 0.996 371 S CA 0.152 58.398 58.200 0.076 0.000 0.942 371 S CB -0.399 62.820 63.200 0.032 0.000 0.768 371 S HN 0.226 nan 8.310 nan 0.000 0.520 372 K N 2.032 122.467 120.400 0.058 0.000 2.156 372 K HA 0.435 4.755 4.320 -0.000 0.000 0.271 372 K C -0.069 176.567 176.600 0.060 0.000 0.995 372 K CA -0.338 55.971 56.287 0.037 0.000 0.890 372 K CB 1.568 34.074 32.500 0.011 0.000 1.073 372 K HN 0.189 nan 8.250 nan 0.000 0.454 373 S N 1.979 117.704 115.700 0.041 0.000 2.573 373 S HA -0.046 4.424 4.470 -0.000 0.000 0.277 373 S C 1.261 175.903 174.600 0.069 0.000 1.346 373 S CA -0.423 57.806 58.200 0.047 0.000 1.034 373 S CB 0.506 63.723 63.200 0.028 0.000 0.879 373 S HN 0.675 nan 8.310 nan 0.000 0.528 374 M N 5.018 124.660 119.600 0.071 0.000 2.159 374 M HA 0.115 4.594 4.480 -0.000 0.000 0.263 374 M C 1.883 178.244 176.300 0.100 0.000 1.063 374 M CA 2.275 57.628 55.300 0.089 0.000 1.110 374 M CB -1.429 31.212 32.600 0.070 0.000 1.374 374 M HN 0.836 nan 8.290 nan 0.000 0.411 375 G N -0.437 108.411 108.800 0.079 0.000 2.418 375 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 375 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 375 G C 1.256 176.228 174.900 0.120 0.000 1.158 375 G CA 1.096 46.248 45.100 0.087 0.000 0.771 375 G HN 0.453 nan 8.290 nan 0.000 0.545 376 D N 0.569 121.023 120.400 0.091 0.000 2.144 376 D HA -0.036 4.604 4.640 -0.000 0.000 0.199 376 D C 2.476 178.879 176.300 0.171 0.000 0.984 376 D CA 0.794 54.860 54.000 0.110 0.000 0.834 376 D CB -0.087 40.734 40.800 0.035 0.000 0.955 376 D HN 0.311 nan 8.370 nan 0.000 0.465 377 K N 0.017 120.510 120.400 0.154 0.000 2.001 377 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 377 K C 2.068 178.851 176.600 0.306 0.000 1.048 377 K CA 0.388 56.807 56.287 0.220 0.000 0.932 377 K CB -0.151 32.515 32.500 0.276 0.000 0.715 377 K HN -0.007 nan 8.250 nan 0.000 0.437 378 L N 0.626 122.002 121.223 0.256 0.000 1.971 378 L HA -0.254 4.086 4.340 -0.000 0.000 0.215 378 L C 2.384 179.379 176.870 0.208 0.000 1.072 378 L CA 1.772 56.749 54.840 0.228 0.000 0.758 378 L CB -1.066 41.096 42.059 0.172 0.000 0.889 378 L HN 0.225 nan 8.230 nan 0.000 0.433 379 Y N -1.394 118.964 120.300 0.097 0.000 2.151 379 Y HA -0.383 4.167 4.550 -0.000 0.000 0.284 379 Y C 2.661 178.581 175.900 0.034 0.000 1.166 379 Y CA 2.073 60.216 58.100 0.071 0.000 1.163 379 Y CB -0.692 37.808 38.460 0.066 0.000 0.974 379 Y HN 0.301 nan 8.280 nan 0.000 0.511 380 Y N -0.377 119.789 120.300 -0.223 0.000 2.163 380 Y HA -0.270 4.280 4.550 -0.000 0.000 0.288 380 Y C 1.865 177.448 175.900 -0.527 0.000 1.136 380 Y CA 2.061 59.867 58.100 -0.490 0.000 1.147 380 Y CB -0.952 37.221 38.460 -0.478 0.000 0.987 380 Y HN 0.199 nan 8.280 nan 0.000 0.509 381 Y N 0.118 120.347 120.300 -0.119 0.000 2.373 381 Y HA -0.073 4.477 4.550 -0.000 0.000 0.293 381 Y C 2.432 178.214 175.900 -0.196 0.000 1.129 381 Y CA 1.308 59.297 58.100 -0.186 0.000 1.226 381 Y CB -0.605 37.844 38.460 -0.018 0.000 1.000 381 Y HN 0.202 nan 8.280 nan 0.000 0.549 382 E N 0.704 120.873 120.200 -0.051 0.000 2.031 382 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 382 E C 2.211 178.698 176.600 -0.189 0.000 0.994 382 E CA 1.200 57.561 56.400 -0.066 0.000 0.800 382 E CB -0.447 29.241 29.700 -0.020 0.000 0.752 382 E HN 0.456 nan 8.360 nan 0.000 0.447 383 L N 0.371 121.348 121.223 -0.410 0.000 2.043 383 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 383 L C 1.544 178.119 176.870 -0.492 0.000 1.075 383 L CA 1.550 56.063 54.840 -0.546 0.000 0.752 383 L CB -0.107 41.453 42.059 -0.832 0.000 0.891 383 L HN 0.060 nan 8.230 nan 0.000 0.432 384 K N 0.222 120.306 120.400 -0.527 0.000 2.459 384 K HA 0.119 4.439 4.320 -0.000 0.000 0.193 384 K C 1.198 177.755 176.600 -0.072 0.000 1.030 384 K CA 0.812 56.836 56.287 -0.439 0.000 1.026 384 K CB -0.001 32.035 32.500 -0.773 0.000 0.809 384 K HN 0.586 nan 8.250 nan 0.000 0.504 385 G N 1.603 110.367 108.800 -0.060 0.000 2.147 385 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 385 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 385 G C 0.169 175.111 174.900 0.071 0.000 1.005 385 G CA 0.164 45.292 45.100 0.046 0.000 0.713 385 G HN 0.118 nan 8.290 nan 0.000 0.515 386 V N 0.906 120.851 119.914 0.051 0.000 2.509 386 V HA 0.068 4.188 4.120 -0.000 0.000 0.297 386 V C 0.161 176.217 176.094 -0.064 0.000 1.014 386 V CA 0.053 62.363 62.300 0.017 0.000 1.127 386 V CB 0.954 32.794 31.823 0.029 0.000 0.925 386 V HN 0.169 nan 8.190 nan 0.000 0.480 387 P HA -0.099 nan 4.420 nan 0.000 0.214 387 P C 0.125 177.144 177.300 -0.468 0.000 1.163 387 P CA 1.315 64.093 63.100 -0.537 0.000 0.889 387 P CB 0.203 31.541 31.700 -0.603 0.000 0.790 388 L N -1.786 119.275 121.223 -0.270 0.000 2.386 388 L HA 0.482 4.822 4.340 -0.000 0.000 0.271 388 L C 0.280 177.078 176.870 -0.120 0.000 0.993 388 L CA -1.001 53.728 54.840 -0.184 0.000 0.819 388 L CB 2.617 44.577 42.059 -0.164 0.000 1.294 388 L HN -0.230 nan 8.230 nan 0.000 0.414 389 R N 3.362 123.810 120.500 -0.086 0.000 2.387 389 R HA 0.659 4.999 4.340 -0.000 0.000 0.314 389 R C -1.276 174.989 176.300 -0.059 0.000 0.958 389 R CA -0.470 55.584 56.100 -0.077 0.000 0.846 389 R CB 1.225 31.504 30.300 -0.036 0.000 1.147 389 R HN 0.600 nan 8.270 nan 0.000 0.447 390 I N 3.889 124.420 120.570 -0.066 0.000 2.362 390 I HA 0.248 4.418 4.170 -0.000 0.000 0.289 390 I C -0.267 175.832 176.117 -0.030 0.000 0.994 390 I CA -0.549 60.725 61.300 -0.043 0.000 1.158 390 I CB 1.891 39.864 38.000 -0.044 0.000 1.315 390 I HN 0.541 nan 8.210 nan 0.000 0.451 391 E N 5.777 125.970 120.200 -0.012 0.000 2.151 391 E HA 0.529 4.879 4.350 -0.000 0.000 0.275 391 E C -1.232 175.371 176.600 0.004 0.000 0.936 391 E CA -0.632 55.770 56.400 0.002 0.000 0.777 391 E CB 2.708 32.415 29.700 0.012 0.000 1.108 391 E HN 0.255 nan 8.360 nan 0.000 0.401 392 V N 2.370 122.291 119.914 0.011 0.000 2.483 392 V HA 0.676 4.796 4.120 -0.000 0.000 0.297 392 V C 0.261 176.364 176.094 0.015 0.000 1.027 392 V CA -0.677 61.630 62.300 0.011 0.000 0.855 392 V CB 1.720 33.550 31.823 0.012 0.000 0.995 392 V HN 0.785 nan 8.190 nan 0.000 0.424 393 G N 2.064 110.869 108.800 0.007 0.000 2.733 393 G HA2 0.472 4.432 3.960 -0.000 0.000 0.288 393 G HA3 0.472 4.432 3.960 -0.000 0.000 0.288 393 G C 0.142 175.040 174.900 -0.004 0.000 1.373 393 G CA -0.157 44.942 45.100 -0.000 0.000 0.895 393 G HN 0.579 nan 8.290 nan 0.000 0.479 394 Q N -0.347 119.445 119.800 -0.013 0.000 2.045 394 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 394 Q C 2.404 178.399 176.000 -0.008 0.000 0.991 394 Q CA 2.162 57.957 55.803 -0.013 0.000 0.851 394 Q CB -0.128 28.597 28.738 -0.021 0.000 0.911 394 Q HN 0.607 nan 8.270 nan 0.000 0.418 395 R N -0.007 120.487 120.500 -0.009 0.000 2.094 395 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 395 R C 1.620 177.918 176.300 -0.003 0.000 1.137 395 R CA 2.181 58.278 56.100 -0.006 0.000 0.943 395 R CB -0.267 30.029 30.300 -0.005 0.000 0.850 395 R HN 0.401 nan 8.270 nan 0.000 0.433 396 D N 0.480 120.879 120.400 -0.002 0.000 2.178 396 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 396 D C 1.885 178.185 176.300 -0.000 0.000 0.974 396 D CA 0.742 54.742 54.000 -0.000 0.000 0.841 396 D CB -0.163 40.638 40.800 0.001 0.000 0.953 396 D HN 0.208 nan 8.370 nan 0.000 0.478 397 L N 0.961 122.184 121.223 -0.000 0.000 2.191 397 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 397 L C 2.057 178.926 176.870 -0.001 0.000 1.103 397 L CA 1.296 56.136 54.840 0.000 0.000 0.769 397 L CB -0.411 41.648 42.059 0.001 0.000 0.908 397 L HN -0.070 nan 8.230 nan 0.000 0.438 398 A N -0.775 122.044 122.820 -0.002 0.000 2.014 398 A HA -0.125 4.194 4.320 -0.000 0.000 0.218 398 A C 1.844 179.427 177.584 -0.001 0.000 1.163 398 A CA 1.580 53.616 52.037 -0.002 0.000 0.652 398 A CB -0.733 18.265 19.000 -0.003 0.000 0.808 398 A HN 0.656 nan 8.150 nan 0.000 0.449 399 N N -0.877 117.823 118.700 -0.001 0.000 2.336 399 N HA 0.322 5.062 4.740 -0.000 0.000 0.189 399 N C 0.826 176.336 175.510 -0.001 0.000 1.113 399 N CA 0.481 53.530 53.050 -0.001 0.000 0.858 399 N CB 0.343 38.830 38.487 -0.000 0.000 0.970 399 N HN 0.519 nan 8.380 nan 0.000 0.471 400 G N 0.709 109.509 108.800 -0.001 0.000 2.198 400 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 400 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 400 G C -0.214 174.686 174.900 -0.001 0.000 1.025 400 G CA 0.188 45.287 45.100 -0.001 0.000 0.769 400 G HN 0.371 nan 8.290 nan 0.000 0.507 401 Q N -1.356 118.443 119.800 -0.001 0.000 2.458 401 Q HA 0.749 5.089 4.340 -0.000 0.000 0.282 401 Q C 0.186 176.186 176.000 -0.001 0.000 1.106 401 Q CA -0.433 55.369 55.803 -0.001 0.000 0.814 401 Q CB 2.670 31.408 28.738 -0.000 0.000 1.425 401 Q HN 0.927 nan 8.270 nan 0.000 0.437 402 C N -1.344 117.955 119.300 -0.002 0.000 3.171 402 C HA 0.808 5.268 4.460 -0.000 0.000 0.308 402 C C -1.088 173.901 174.990 -0.002 0.000 1.334 402 C CA -0.908 58.109 59.018 -0.002 0.000 1.473 402 C CB 0.302 28.039 27.740 -0.005 0.000 1.866 402 C HN 0.740 nan 8.230 nan 0.000 0.465 403 I N 2.202 122.771 120.570 -0.001 0.000 2.321 403 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 403 I C -0.024 176.090 176.117 -0.005 0.000 0.998 403 I CA -0.317 60.983 61.300 0.000 0.000 1.227 403 I CB 1.616 39.620 38.000 0.006 0.000 1.368 403 I HN 0.625 nan 8.210 nan 0.000 0.466 404 V N 7.392 127.302 119.914 -0.007 0.000 2.357 404 V HA 0.447 4.566 4.120 -0.000 0.000 0.284 404 V C -0.300 175.789 176.094 -0.008 0.000 1.018 404 V CA -0.712 61.579 62.300 -0.015 0.000 0.841 404 V CB 1.682 33.493 31.823 -0.019 0.000 0.991 404 V HN 0.367 nan 8.190 nan 0.000 0.437 405 V N 7.615 127.522 119.914 -0.012 0.000 2.326 405 V HA 0.371 4.490 4.120 -0.000 0.000 0.281 405 V C -2.380 173.707 176.094 -0.011 0.000 1.015 405 V CA -1.988 60.313 62.300 0.002 0.000 0.823 405 V CB 1.607 33.440 31.823 0.016 0.000 1.009 405 V HN 0.700 nan 8.190 nan 0.000 0.436 406 P HA 0.225 nan 4.420 nan 0.000 0.271 406 P C 0.519 177.858 177.300 0.064 0.000 1.218 406 P CA -0.413 62.690 63.100 0.004 0.000 0.780 406 P CB 1.010 32.768 31.700 0.097 0.000 0.901 407 R N 3.336 123.878 120.500 0.069 0.000 2.115 407 R HA -0.131 4.209 4.340 -0.000 0.000 0.226 407 R C 1.445 177.867 176.300 0.204 0.000 1.100 407 R CA 2.000 58.182 56.100 0.137 0.000 0.980 407 R CB -1.112 29.271 30.300 0.138 0.000 0.875 407 R HN 0.526 nan 8.270 nan 0.000 0.445 408 D N -0.382 120.197 120.400 0.298 0.000 2.123 408 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 408 D C 1.621 177.991 176.300 0.117 0.000 0.976 408 D CA 1.681 55.785 54.000 0.175 0.000 0.831 408 D CB -0.506 40.342 40.800 0.079 0.000 0.974 408 D HN 0.276 nan 8.370 nan 0.000 0.469 409 V N -3.032 116.952 119.914 0.117 0.000 3.125 409 V HA 0.419 4.539 4.120 -0.000 0.000 0.249 409 V C 1.412 177.551 176.094 0.075 0.000 1.113 409 V CA 0.673 63.022 62.300 0.082 0.000 1.106 409 V CB -0.607 31.258 31.823 0.071 0.000 0.768 409 V HN 0.528 nan 8.190 nan 0.000 0.468 410 G N 2.107 110.955 108.800 0.080 0.000 2.750 410 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.228 410 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.228 410 G C 0.513 175.446 174.900 0.056 0.000 1.367 410 G CA 0.383 45.525 45.100 0.070 0.000 0.871 410 G HN 0.922 nan 8.290 nan 0.000 0.560 411 K N -0.604 119.828 120.400 0.054 0.000 2.362 411 K HA -0.021 4.299 4.320 -0.000 0.000 0.200 411 K C 1.306 177.930 176.600 0.040 0.000 1.046 411 K CA 1.912 58.226 56.287 0.045 0.000 0.952 411 K CB -0.008 32.520 32.500 0.048 0.000 0.753 411 K HN 0.359 nan 8.250 nan 0.000 0.466 412 D N 1.740 122.165 120.400 0.042 0.000 2.219 412 D HA -0.093 4.546 4.640 -0.000 0.000 0.205 412 D C 0.719 177.038 176.300 0.033 0.000 0.970 412 D CA 1.080 55.102 54.000 0.036 0.000 0.851 412 D CB 0.163 40.986 40.800 0.038 0.000 0.943 412 D HN 0.450 nan 8.370 nan 0.000 0.488 413 Q N 0.736 120.558 119.800 0.036 0.000 2.182 413 Q HA 0.100 4.440 4.340 -0.000 0.000 0.305 413 Q C -0.246 175.773 176.000 0.031 0.000 0.880 413 Q CA -0.311 55.512 55.803 0.033 0.000 1.131 413 Q CB 0.798 29.558 28.738 0.037 0.000 1.237 413 Q HN 0.270 nan 8.270 nan 0.000 0.447 414 K N 0.302 120.719 120.400 0.028 0.000 2.414 414 K HA 0.308 4.628 4.320 -0.000 0.000 0.272 414 K C -0.402 176.208 176.600 0.017 0.000 0.993 414 K CA -0.239 56.061 56.287 0.022 0.000 0.964 414 K CB 0.778 33.291 32.500 0.021 0.000 0.925 414 K HN -0.140 nan 8.250 nan 0.000 0.487 415 R N 1.426 121.933 120.500 0.012 0.000 2.407 415 R HA 0.292 4.632 4.340 -0.000 0.000 0.303 415 R C -0.997 175.305 176.300 0.005 0.000 0.981 415 R CA -0.693 55.412 56.100 0.008 0.000 0.905 415 R CB 1.911 32.214 30.300 0.005 0.000 1.099 415 R HN 0.463 nan 8.270 nan 0.000 0.459 416 V N 5.525 125.442 119.914 0.004 0.000 2.294 416 V HA 0.402 4.522 4.120 -0.000 0.000 0.272 416 V C -0.093 176.001 176.094 0.000 0.000 1.027 416 V CA -0.419 61.883 62.300 0.003 0.000 0.823 416 V CB 0.464 32.289 31.823 0.004 0.000 1.030 416 V HN 0.601 nan 8.190 nan 0.000 0.457 417 I N 6.670 127.239 120.570 -0.002 0.000 2.404 417 I HA 0.425 4.594 4.170 -0.000 0.000 0.293 417 I C -2.422 173.693 176.117 -0.004 0.000 0.992 417 I CA -2.359 58.939 61.300 -0.004 0.000 1.149 417 I CB 2.541 40.537 38.000 -0.007 0.000 1.315 417 I HN 0.333 nan 8.210 nan 0.000 0.446 418 P HA 0.123 nan 4.420 nan 0.000 0.266 418 P C 0.833 178.130 177.300 -0.005 0.000 1.195 418 P CA 0.221 63.319 63.100 -0.004 0.000 0.768 418 P CB 0.777 32.475 31.700 -0.003 0.000 0.838 419 I N 1.562 122.129 120.570 -0.004 0.000 2.315 419 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 419 I C 2.197 178.310 176.117 -0.006 0.000 1.117 419 I CA 1.911 63.208 61.300 -0.005 0.000 1.404 419 I CB -0.823 37.175 38.000 -0.003 0.000 1.071 419 I HN 0.448 nan 8.210 nan 0.000 0.419 420 T N -1.674 112.878 114.554 -0.005 0.000 2.788 420 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 420 T C 1.627 176.324 174.700 -0.006 0.000 1.044 420 T CA 1.280 63.377 62.100 -0.005 0.000 1.139 420 T CB -0.444 68.422 68.868 -0.004 0.000 0.867 420 T HN 0.401 nan 8.240 nan 0.000 0.454 421 E N 0.680 120.876 120.200 -0.007 0.000 2.077 421 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 421 E C 2.407 179.001 176.600 -0.010 0.000 0.989 421 E CA 1.101 57.497 56.400 -0.008 0.000 0.800 421 E CB -0.311 29.384 29.700 -0.007 0.000 0.746 421 E HN 0.345 nan 8.360 nan 0.000 0.452 422 V N 1.291 121.198 119.914 -0.011 0.000 2.407 422 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 422 V C 2.161 178.247 176.094 -0.014 0.000 1.055 422 V CA 1.357 63.648 62.300 -0.014 0.000 1.049 422 V CB -0.285 31.529 31.823 -0.014 0.000 0.662 422 V HN 0.365 nan 8.190 nan 0.000 0.455 423 M N -0.511 119.082 119.600 -0.011 0.000 2.506 423 M HA 0.054 4.534 4.480 -0.000 0.000 0.260 423 M C 1.107 177.401 176.300 -0.009 0.000 1.104 423 M CA 0.584 55.878 55.300 -0.009 0.000 1.112 423 M CB -0.678 31.918 32.600 -0.007 0.000 1.401 423 M HN 0.213 nan 8.290 nan 0.000 0.473 424 K N 2.142 122.536 120.400 -0.010 0.000 2.378 424 K HA 0.295 4.614 4.320 -0.000 0.000 0.288 424 K C -1.280 175.314 176.600 -0.011 0.000 1.057 424 K CA 0.026 56.307 56.287 -0.009 0.000 0.971 424 K CB 0.621 33.116 32.500 -0.008 0.000 0.975 424 K HN -0.101 nan 8.250 nan 0.000 0.475 425 V N 4.335 124.243 119.914 -0.010 0.000 2.483 425 V HA 0.323 4.443 4.120 -0.000 0.000 0.297 425 V C -0.500 175.588 176.094 -0.010 0.000 1.027 425 V CA -0.681 61.612 62.300 -0.011 0.000 0.855 425 V CB 1.460 33.276 31.823 -0.011 0.000 0.995 425 V HN 0.993 nan 8.190 nan 0.000 0.424 437 V N 6.928 126.833 119.914 -0.015 0.000 2.427 437 V HA 0.602 4.722 4.120 -0.000 0.000 0.286 437 V C 0.094 176.177 176.094 -0.018 0.000 1.034 437 V CA -0.622 61.668 62.300 -0.016 0.000 0.893 437 V CB 1.731 33.544 31.823 -0.017 0.000 0.982 437 V HN 0.844 nan 8.190 nan 0.000 0.452 438 K N 4.316 124.706 120.400 -0.017 0.000 2.292 438 K HA 0.533 4.853 4.320 -0.000 0.000 0.257 438 K C -0.778 175.811 176.600 -0.018 0.000 0.940 438 K CA -0.617 55.660 56.287 -0.017 0.000 0.811 438 K CB 1.820 34.312 32.500 -0.014 0.000 1.120 438 K HN 0.768 nan 8.250 nan 0.000 0.428 439 N N 2.250 120.937 118.700 -0.021 0.000 2.516 439 N HA 0.001 4.740 4.740 -0.000 0.000 0.268 439 N C 0.195 175.691 175.510 -0.024 0.000 1.096 439 N CA -0.277 52.760 53.050 -0.022 0.000 0.954 439 N CB 2.237 40.709 38.487 -0.025 0.000 1.676 439 N HN 0.287 nan 8.380 nan 0.000 0.490 440 V N 4.038 123.940 119.914 -0.020 0.000 2.392 440 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 440 V C 1.992 178.071 176.094 -0.025 0.000 1.059 440 V CA 1.479 63.767 62.300 -0.019 0.000 1.051 440 V CB -0.456 31.358 31.823 -0.015 0.000 0.658 440 V HN 0.667 nan 8.190 nan 0.000 0.455 441 I N 0.089 120.640 120.570 -0.032 0.000 2.286 441 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 441 I C 2.398 178.481 176.117 -0.055 0.000 1.104 441 I CA 1.983 63.257 61.300 -0.043 0.000 1.397 441 I CB -1.387 36.585 38.000 -0.047 0.000 1.072 441 I HN 0.409 nan 8.210 nan 0.000 0.417 442 K N 1.142 121.509 120.400 -0.055 0.000 2.103 442 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 442 K C 1.617 178.190 176.600 -0.045 0.000 1.048 442 K CA 1.709 57.958 56.287 -0.064 0.000 0.930 442 K CB 0.046 32.512 32.500 -0.057 0.000 0.716 442 K HN 0.193 nan 8.250 nan 0.000 0.444 443 D N 0.844 121.225 120.400 -0.031 0.000 2.144 443 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 443 D C 1.840 178.135 176.300 -0.008 0.000 0.984 443 D CA 0.954 54.943 54.000 -0.018 0.000 0.834 443 D CB -0.033 40.759 40.800 -0.014 0.000 0.955 443 D HN 0.298 nan 8.370 nan 0.000 0.465 444 E N 0.483 120.675 120.200 -0.013 0.000 2.072 444 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 444 E C 2.519 179.130 176.600 0.018 0.000 0.985 444 E CA 0.165 56.565 56.400 -0.000 0.000 0.801 444 E CB -0.229 29.458 29.700 -0.021 0.000 0.750 444 E HN 0.352 nan 8.360 nan 0.000 0.452 445 L N 1.221 122.432 121.223 -0.021 0.000 2.046 445 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 445 L C 2.027 178.946 176.870 0.082 0.000 1.077 445 L CA 1.128 55.968 54.840 -0.001 0.000 0.747 445 L CB -0.286 41.720 42.059 -0.089 0.000 0.896 445 L HN 0.012 nan 8.230 nan 0.000 0.432 446 D N -0.069 120.347 120.400 0.028 0.000 2.117 446 D HA -0.126 4.513 4.640 -0.000 0.000 0.198 446 D C 2.203 178.521 176.300 0.029 0.000 0.982 446 D CA 1.430 55.441 54.000 0.020 0.000 0.828 446 D CB 0.002 40.798 40.800 -0.007 0.000 0.967 446 D HN 0.302 nan 8.370 nan 0.000 0.464 447 A N 0.195 123.040 122.820 0.040 0.000 1.930 447 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 447 A C 2.174 179.794 177.584 0.061 0.000 1.175 447 A CA 1.174 53.232 52.037 0.035 0.000 0.627 447 A CB -1.030 17.989 19.000 0.033 0.000 0.815 447 A HN 0.344 nan 8.150 nan 0.000 0.443 448 Y N 0.700 120.979 120.300 -0.035 0.000 2.128 448 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 448 Y C 2.331 178.199 175.900 -0.053 0.000 1.154 448 Y CA 2.489 60.567 58.100 -0.036 0.000 1.149 448 Y CB -0.281 38.161 38.460 -0.030 0.000 0.976 448 Y HN 0.294 nan 8.280 nan 0.000 0.505 449 K N 0.135 120.527 120.400 -0.013 0.000 2.032 449 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 449 K C 2.294 178.792 176.600 -0.170 0.000 1.048 449 K CA 1.413 57.623 56.287 -0.128 0.000 0.927 449 K CB -0.522 31.977 32.500 -0.003 0.000 0.712 449 K HN 0.419 nan 8.250 nan 0.000 0.441 450 A N 1.352 124.106 122.820 -0.110 0.000 1.933 450 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 450 A C 2.064 179.567 177.584 -0.136 0.000 1.175 450 A CA 1.454 53.418 52.037 -0.122 0.000 0.628 450 A CB -0.459 18.493 19.000 -0.080 0.000 0.814 450 A HN 0.331 nan 8.150 nan 0.000 0.444 451 R N -0.593 119.830 120.500 -0.129 0.000 2.092 451 R HA -0.007 4.333 4.340 -0.000 0.000 0.231 451 R C 2.037 178.254 176.300 -0.140 0.000 1.119 451 R CA 1.267 57.299 56.100 -0.113 0.000 0.970 451 R CB -0.476 29.773 30.300 -0.086 0.000 0.864 451 R HN 0.505 nan 8.270 nan 0.000 0.440 452 L N 0.740 121.811 121.223 -0.253 0.000 2.017 452 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 452 L C 2.659 179.519 176.870 -0.017 0.000 1.073 452 L CA 1.475 56.175 54.840 -0.233 0.000 0.745 452 L CB -0.502 41.207 42.059 -0.584 0.000 0.894 452 L HN 0.205 nan 8.230 nan 0.000 0.432 453 K N 0.368 120.706 120.400 -0.103 0.000 2.026 453 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 453 K C 2.070 178.538 176.600 -0.219 0.000 1.048 453 K CA 1.738 57.917 56.287 -0.180 0.000 0.929 453 K CB -0.027 32.235 32.500 -0.396 0.000 0.713 453 K HN 0.249 nan 8.250 nan 0.000 0.439 454 E N 0.701 120.800 120.200 -0.167 0.000 2.085 454 E HA -0.258 4.091 4.350 -0.000 0.000 0.194 454 E C 1.996 178.642 176.600 0.076 0.000 0.994 454 E CA 1.516 57.873 56.400 -0.072 0.000 0.801 454 E CB 0.071 29.740 29.700 -0.052 0.000 0.743 454 E HN 0.180 nan 8.360 nan 0.000 0.453 455 K N -0.229 120.222 120.400 0.084 0.000 2.062 455 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 455 K C 2.013 178.748 176.600 0.226 0.000 1.051 455 K CA 1.029 57.395 56.287 0.132 0.000 0.941 455 K CB -0.124 32.428 32.500 0.086 0.000 0.719 455 K HN 0.144 nan 8.250 nan 0.000 0.440 456 A N 0.387 123.376 122.820 0.282 0.000 1.930 456 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 456 A C 1.844 179.729 177.584 0.503 0.000 1.175 456 A CA 1.033 53.285 52.037 0.358 0.000 0.627 456 A CB -0.626 18.594 19.000 0.367 0.000 0.815 456 A HN 0.303 nan 8.150 nan 0.000 0.443 457 F N 0.252 120.309 119.950 0.177 0.000 2.113 457 F HA -0.050 4.477 4.527 -0.000 0.000 0.297 457 F C 2.819 178.717 175.800 0.162 0.000 1.103 457 F CA 0.429 58.520 58.000 0.152 0.000 1.248 457 F CB -1.023 38.029 39.000 0.087 0.000 0.999 457 F HN 0.264 nan 8.300 nan 0.000 0.475 458 A N -0.348 122.673 122.820 0.335 0.000 1.908 458 A HA -0.244 4.075 4.320 -0.000 0.000 0.218 458 A C 2.164 179.860 177.584 0.188 0.000 1.181 458 A CA 1.554 53.718 52.037 0.211 0.000 0.627 458 A CB -1.475 17.624 19.000 0.165 0.000 0.818 458 A HN 0.356 nan 8.150 nan 0.000 0.445 459 F N 0.383 120.394 119.950 0.102 0.000 2.069 459 F HA -0.233 4.293 4.527 -0.000 0.000 0.298 459 F C 2.195 178.018 175.800 0.040 0.000 1.113 459 F CA 2.418 60.447 58.000 0.049 0.000 1.214 459 F CB -0.842 38.174 39.000 0.027 0.000 0.978 459 F HN 0.517 nan 8.300 nan 0.000 0.474 460 H N 0.319 119.335 119.070 -0.090 0.000 2.289 460 H HA -0.197 4.359 4.556 -0.000 0.000 0.296 460 H C 2.092 177.290 175.328 -0.216 0.000 1.091 460 H CA 2.523 58.443 56.048 -0.213 0.000 1.274 460 H CB -0.566 29.134 29.762 -0.103 0.000 1.364 460 H HN 0.208 nan 8.280 nan 0.000 0.490 461 N N -0.120 118.534 118.700 -0.077 0.000 2.149 461 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 461 N C 2.063 177.470 175.510 -0.172 0.000 1.019 461 N CA 1.477 54.472 53.050 -0.091 0.000 0.857 461 N CB -0.566 37.945 38.487 0.041 0.000 0.997 461 N HN 0.605 nan 8.380 nan 0.000 0.426 462 S N -0.668 114.923 115.700 -0.183 0.000 2.515 462 S HA 0.056 4.526 4.470 -0.000 0.000 0.231 462 S C 1.339 175.782 174.600 -0.263 0.000 0.987 462 S CA 0.493 58.589 58.200 -0.174 0.000 0.936 462 S CB 0.030 63.162 63.200 -0.113 0.000 0.766 462 S HN 0.072 nan 8.310 nan 0.000 0.528 463 M N 1.923 121.272 119.600 -0.419 0.000 2.475 463 M HA 0.400 4.880 4.480 -0.000 0.000 0.283 463 M C -0.683 175.421 176.300 -0.326 0.000 1.165 463 M CA -0.026 55.024 55.300 -0.416 0.000 0.976 463 M CB 0.615 32.829 32.600 -0.644 0.000 1.428 463 M HN 0.065 nan 8.290 nan 0.000 0.495 464 V N 1.010 120.754 119.914 -0.282 0.000 2.357 464 V HA 0.413 4.533 4.120 -0.000 0.000 0.284 464 V C -0.038 175.994 176.094 -0.103 0.000 1.018 464 V CA -0.296 61.910 62.300 -0.156 0.000 0.841 464 V CB 1.562 33.310 31.823 -0.125 0.000 0.991 464 V HN 0.241 nan 8.190 nan 0.000 0.437 465 T N 4.460 118.970 114.554 -0.073 0.000 2.812 465 T HA 0.391 4.741 4.350 -0.000 0.000 0.282 465 T C -0.174 174.495 174.700 -0.052 0.000 0.990 465 T CA -0.658 61.405 62.100 -0.062 0.000 0.960 465 T CB 0.888 69.723 68.868 -0.056 0.000 0.948 465 T HN 0.531 nan 8.240 nan 0.000 0.438 466 N N 1.790 120.460 118.700 -0.051 0.000 2.488 466 N HA 0.351 5.091 4.740 -0.000 0.000 0.274 466 N C -0.772 174.736 175.510 -0.003 0.000 1.111 466 N CA -0.101 52.927 53.050 -0.036 0.000 0.974 466 N CB 0.905 39.364 38.487 -0.047 0.000 1.089 466 N HN 0.574 nan 8.380 nan 0.000 0.465 467 C N 1.151 120.473 119.300 0.036 0.000 2.563 467 C HA 0.364 4.823 4.460 -0.000 0.000 0.314 467 C C 1.263 176.291 174.990 0.063 0.000 1.199 467 C CA -0.824 58.211 59.018 0.028 0.000 1.564 467 C CB 1.558 29.294 27.740 -0.007 0.000 2.173 467 C HN 0.748 nan 8.230 nan 0.000 0.485 468 K N 0.334 120.753 120.400 0.033 0.000 2.387 468 K HA 0.323 4.643 4.320 -0.000 0.000 0.203 468 K C 0.186 176.798 176.600 0.019 0.000 1.030 468 K CA 0.093 56.407 56.287 0.044 0.000 1.099 468 K CB 0.330 32.852 32.500 0.036 0.000 0.863 468 K HN 0.663 nan 8.250 nan 0.000 0.529 469 S N -1.131 114.561 115.700 -0.013 0.000 2.588 469 S HA 0.264 4.734 4.470 -0.000 0.000 0.269 469 S C 0.095 174.670 174.600 -0.043 0.000 1.157 469 S CA -0.998 57.197 58.200 -0.008 0.000 0.824 469 S CB 0.428 63.644 63.200 0.026 0.000 1.126 469 S HN 0.085 nan 8.310 nan 0.000 0.464 470 F N 1.708 121.572 119.950 -0.144 0.000 2.091 470 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 470 F C 1.795 177.546 175.800 -0.082 0.000 1.103 470 F CA 2.422 60.344 58.000 -0.130 0.000 1.228 470 F CB -0.285 38.707 39.000 -0.013 0.000 0.984 470 F HN 0.712 nan 8.300 nan 0.000 0.477 471 D N 0.250 120.730 120.400 0.133 0.000 2.097 471 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 471 D C 2.156 178.423 176.300 -0.055 0.000 0.989 471 D CA 1.646 55.676 54.000 0.050 0.000 0.827 471 D CB -0.469 40.381 40.800 0.083 0.000 0.966 471 D HN 0.486 nan 8.370 nan 0.000 0.456 472 E N 0.123 120.290 120.200 -0.055 0.000 2.110 472 E HA -0.122 4.227 4.350 -0.000 0.000 0.193 472 E C 2.327 178.857 176.600 -0.118 0.000 0.988 472 E CA 0.430 56.790 56.400 -0.068 0.000 0.804 472 E CB 0.000 29.674 29.700 -0.044 0.000 0.745 472 E HN 0.334 nan 8.360 nan 0.000 0.458 473 I N 0.404 120.851 120.570 -0.205 0.000 2.163 473 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 473 I C 2.370 178.338 176.117 -0.248 0.000 1.081 473 I CA 0.789 61.932 61.300 -0.261 0.000 1.353 473 I CB -0.293 37.428 38.000 -0.466 0.000 1.054 473 I HN -0.014 nan 8.210 nan 0.000 0.407 474 V N 1.162 120.879 119.914 -0.328 0.000 2.287 474 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 474 V C 2.714 178.732 176.094 -0.127 0.000 1.053 474 V CA 2.175 64.327 62.300 -0.247 0.000 1.027 474 V CB -1.010 30.663 31.823 -0.251 0.000 0.646 474 V HN 0.518 nan 8.190 nan 0.000 0.447 475 A N -1.149 121.612 122.820 -0.099 0.000 1.930 475 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 475 A C 2.429 179.980 177.584 -0.054 0.000 1.175 475 A CA 1.972 53.975 52.037 -0.057 0.000 0.627 475 A CB -1.136 17.841 19.000 -0.040 0.000 0.815 475 A HN 0.646 nan 8.150 nan 0.000 0.443 476 C N -0.256 119.005 119.300 -0.066 0.000 2.436 476 C HA -0.087 4.373 4.460 -0.000 0.000 0.277 476 C C 2.470 177.429 174.990 -0.052 0.000 1.241 476 C CA 1.189 60.173 59.018 -0.056 0.000 1.721 476 C CB -1.148 26.557 27.740 -0.058 0.000 2.043 476 C HN 0.557 nan 8.230 nan 0.000 0.472 477 I N 0.966 121.497 120.570 -0.064 0.000 2.226 477 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 477 I C 2.540 178.633 176.117 -0.039 0.000 1.100 477 I CA 1.838 63.108 61.300 -0.051 0.000 1.374 477 I CB -1.613 36.349 38.000 -0.063 0.000 1.057 477 I HN 0.552 nan 8.210 nan 0.000 0.413 478 E N 0.274 120.449 120.200 -0.042 0.000 2.208 478 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 478 E C 1.584 178.173 176.600 -0.019 0.000 0.988 478 E CA 0.688 57.072 56.400 -0.027 0.000 0.828 478 E CB 0.177 29.862 29.700 -0.026 0.000 0.763 478 E HN 0.527 nan 8.360 nan 0.000 0.478 479 N N -0.289 118.399 118.700 -0.021 0.000 2.564 479 N HA -0.007 4.732 4.740 -0.000 0.000 0.202 479 N C 1.429 176.931 175.510 -0.014 0.000 1.052 479 N CA 0.491 53.532 53.050 -0.014 0.000 0.872 479 N CB 0.171 38.649 38.487 -0.014 0.000 1.303 479 N HN -0.041 nan 8.380 nan 0.000 0.440 480 K N 0.475 120.862 120.400 -0.023 0.000 2.214 480 K HA 0.180 4.500 4.320 -0.000 0.000 0.201 480 K C 0.721 177.303 176.600 -0.029 0.000 1.049 480 K CA 0.884 57.155 56.287 -0.026 0.000 0.978 480 K CB 0.302 32.778 32.500 -0.039 0.000 0.842 480 K HN 0.167 nan 8.250 nan 0.000 0.474 481 G N -0.264 108.516 108.800 -0.032 0.000 2.693 481 G HA2 0.047 4.007 3.960 -0.000 0.000 0.226 481 G HA3 0.047 4.007 3.960 -0.000 0.000 0.226 481 G C 0.400 175.268 174.900 -0.053 0.000 1.354 481 G CA -0.441 44.641 45.100 -0.031 0.000 0.873 481 G HN 0.883 nan 8.290 nan 0.000 0.562 482 G N -1.736 107.033 108.800 -0.052 0.000 2.525 482 G HA2 0.132 4.092 3.960 -0.000 0.000 0.248 482 G HA3 0.132 4.092 3.960 -0.000 0.000 0.248 482 G C -0.041 174.839 174.900 -0.034 0.000 1.238 482 G CA 0.402 45.453 45.100 -0.082 0.000 0.926 482 G HN 1.692 nan 8.290 nan 0.000 0.574 483 L N 0.941 122.142 121.223 -0.037 0.000 2.296 483 L HA 0.699 5.039 4.340 -0.000 0.000 0.286 483 L C 0.727 177.628 176.870 0.052 0.000 1.023 483 L CA -0.225 54.650 54.840 0.058 0.000 0.812 483 L CB 1.859 43.995 42.059 0.127 0.000 1.223 483 L HN 1.101 nan 8.230 nan 0.000 0.421 484 A N 4.484 127.351 122.820 0.079 0.000 2.249 484 A HA 0.582 4.902 4.320 -0.000 0.000 0.314 484 A C -0.370 177.263 177.584 0.081 0.000 1.290 484 A CA -0.516 51.558 52.037 0.062 0.000 0.893 484 A CB 0.520 19.550 19.000 0.049 0.000 1.165 484 A HN 0.766 nan 8.150 nan 0.000 0.530 485 R N 2.744 123.200 120.500 -0.072 0.000 2.294 485 R HA 0.674 5.014 4.340 -0.000 0.000 0.319 485 R C -1.509 174.770 176.300 -0.035 0.000 0.984 485 R CA -0.381 55.496 56.100 -0.372 0.000 0.861 485 R CB 0.603 30.517 30.300 -0.643 0.000 1.104 485 R HN 0.750 nan 8.270 nan 0.000 0.451 486 F N 2.466 122.326 119.950 -0.150 0.000 2.608 486 F HA 0.595 5.122 4.527 -0.000 0.000 0.309 486 F C -2.765 173.071 175.800 0.060 0.000 1.103 486 F CA -3.092 54.898 58.000 -0.017 0.000 0.954 486 F CB 1.433 40.399 39.000 -0.056 0.000 1.267 486 F HN 0.373 nan 8.300 nan 0.000 0.444 487 P HA 0.173 nan 4.420 nan 0.000 0.268 487 P C -1.241 176.129 177.300 0.116 0.000 1.205 487 P CA 0.443 63.465 63.100 -0.129 0.000 0.771 487 P CB 0.986 32.602 31.700 -0.140 0.000 0.858 488 F N 2.868 122.694 119.950 -0.206 0.000 2.619 488 F HA 0.254 4.780 4.527 -0.000 0.000 0.308 488 F C 0.555 176.299 175.800 -0.094 0.000 1.097 488 F CA -1.127 56.829 58.000 -0.074 0.000 0.953 488 F CB 1.230 40.150 39.000 -0.135 0.000 1.287 488 F HN 0.346 nan 8.300 nan 0.000 0.446 489 Y N 1.197 121.065 120.300 -0.719 0.000 2.544 489 Y HA 0.384 4.934 4.550 -0.000 0.000 0.286 489 Y C 0.320 175.972 175.900 -0.414 0.000 1.141 489 Y CA 0.867 58.675 58.100 -0.486 0.000 1.299 489 Y CB -0.224 37.986 38.460 -0.417 0.000 1.030 489 Y HN 0.490 nan 8.280 nan 0.000 0.543 490 T N -0.143 113.719 114.554 -1.154 0.000 2.932 490 T HA 0.283 4.633 4.350 -0.000 0.000 0.318 490 T C 0.381 174.900 174.700 -0.302 0.000 1.265 490 T CA -0.067 61.613 62.100 -0.699 0.000 1.036 490 T CB 1.466 69.807 68.868 -0.877 0.000 1.209 490 T HN 0.239 nan 8.240 nan 0.000 0.484 491 T N 0.230 114.670 114.554 -0.191 0.000 3.069 491 T HA 0.420 4.769 4.350 -0.000 0.000 0.252 491 T C 0.427 175.161 174.700 0.056 0.000 1.053 491 T CA -0.123 61.903 62.100 -0.124 0.000 0.964 491 T CB 0.043 68.737 68.868 -0.290 0.000 1.005 491 T HN 0.596 nan 8.240 nan 0.000 0.532 492 E N 0.243 120.488 120.200 0.075 0.000 2.446 492 E HA 0.716 5.066 4.350 -0.000 0.000 0.251 492 E C 1.347 178.119 176.600 0.287 0.000 1.087 492 E CA -0.516 55.973 56.400 0.149 0.000 0.937 492 E CB 0.776 30.521 29.700 0.075 0.000 1.254 492 E HN 0.096 nan 8.360 nan 0.000 0.479 493 A N 0.540 123.515 122.820 0.260 0.000 2.019 493 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 493 A C 1.331 178.996 177.584 0.136 0.000 1.164 493 A CA 1.607 53.818 52.037 0.291 0.000 0.644 493 A CB -0.500 18.623 19.000 0.205 0.000 0.805 493 A HN 0.491 nan 8.150 nan 0.000 0.449 494 D N -0.091 120.383 120.400 0.122 0.000 2.263 494 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 494 D C 1.968 178.362 176.300 0.157 0.000 0.971 494 D CA 1.173 55.239 54.000 0.111 0.000 0.867 494 D CB -0.571 40.331 40.800 0.170 0.000 0.929 494 D HN 0.453 nan 8.370 nan 0.000 0.492 495 G N 0.587 109.518 108.800 0.218 0.000 2.479 495 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 495 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 495 G C 1.386 176.337 174.900 0.084 0.000 1.115 495 G CA 0.476 45.864 45.100 0.481 0.000 0.757 495 G HN 0.332 nan 8.290 nan 0.000 0.560 496 E N 0.010 119.816 120.200 -0.655 0.000 2.265 496 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 496 E C 2.466 178.841 176.600 -0.375 0.000 0.996 496 E CA 0.517 56.275 56.400 -1.071 0.000 0.832 496 E CB 0.010 28.873 29.700 -1.395 0.000 0.756 496 E HN 0.314 nan 8.360 nan 0.000 0.491 497 V N -0.180 119.630 119.914 -0.174 0.000 2.343 497 V HA -0.250 3.869 4.120 -0.000 0.000 0.247 497 V C 1.605 177.600 176.094 -0.165 0.000 1.051 497 V CA 1.917 64.107 62.300 -0.183 0.000 1.036 497 V CB -0.595 31.093 31.823 -0.225 0.000 0.654 497 V HN 0.466 nan 8.190 nan 0.000 0.451 498 W N 0.120 121.496 121.300 0.126 0.000 2.476 498 W HA -0.051 4.609 4.660 -0.000 0.000 0.281 498 W C 2.291 178.891 176.519 0.136 0.000 1.230 498 W CA 1.104 58.566 57.345 0.195 0.000 1.287 498 W CB -0.347 29.335 29.460 0.370 0.000 1.108 498 W HN 0.287 nan 8.180 nan 0.000 0.567 499 D N 0.620 121.182 120.400 0.270 0.000 2.104 499 D HA -0.204 4.435 4.640 -0.000 0.000 0.194 499 D C 1.816 178.199 176.300 0.138 0.000 0.994 499 D CA 1.722 55.850 54.000 0.214 0.000 0.830 499 D CB 0.008 40.921 40.800 0.189 0.000 0.959 499 D HN -0.013 nan 8.370 nan 0.000 0.452 500 K N -0.104 120.319 120.400 0.039 0.000 2.057 500 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 500 K C 2.263 178.898 176.600 0.058 0.000 1.049 500 K CA 1.114 57.411 56.287 0.016 0.000 0.931 500 K CB -0.012 32.453 32.500 -0.057 0.000 0.714 500 K HN 0.123 nan 8.250 nan 0.000 0.440 501 K N 0.778 121.224 120.400 0.076 0.000 2.057 501 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 501 K C 2.126 178.927 176.600 0.335 0.000 1.049 501 K CA 1.130 57.506 56.287 0.148 0.000 0.931 501 K CB -0.128 32.417 32.500 0.075 0.000 0.714 501 K HN 0.087 nan 8.250 nan 0.000 0.440 502 L N 0.959 122.381 121.223 0.331 0.000 2.093 502 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 502 L C 2.579 179.507 176.870 0.097 0.000 1.085 502 L CA 1.176 56.118 54.840 0.170 0.000 0.755 502 L CB -0.274 41.837 42.059 0.087 0.000 0.904 502 L HN 0.147 nan 8.230 nan 0.000 0.435 503 K N 0.037 120.503 120.400 0.109 0.000 2.057 503 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 503 K C 1.627 178.268 176.600 0.068 0.000 1.050 503 K CA 1.597 57.932 56.287 0.079 0.000 0.935 503 K CB 0.069 32.618 32.500 0.082 0.000 0.715 503 K HN 0.206 nan 8.250 nan 0.000 0.439 504 D N 0.276 120.724 120.400 0.080 0.000 2.144 504 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 504 D C 1.688 178.036 176.300 0.081 0.000 0.984 504 D CA 1.297 55.339 54.000 0.068 0.000 0.834 504 D CB -0.127 40.708 40.800 0.059 0.000 0.955 504 D HN 0.341 nan 8.370 nan 0.000 0.465 505 A N 0.110 123.004 122.820 0.124 0.000 1.872 505 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 505 A C 2.032 179.643 177.584 0.045 0.000 1.187 505 A CA 1.653 53.763 52.037 0.121 0.000 0.614 505 A CB -0.162 18.965 19.000 0.212 0.000 0.826 505 A HN 0.485 nan 8.150 nan 0.000 0.442 506 C N -4.849 114.460 119.300 0.015 0.000 3.692 506 C HA 0.608 5.068 4.460 -0.000 0.000 0.277 506 C C 0.852 175.841 174.990 -0.001 0.000 2.095 506 C CA 0.121 59.133 59.018 -0.009 0.000 1.666 506 C CB -0.652 27.057 27.740 -0.053 0.000 3.354 506 C HN 0.642 nan 8.230 nan 0.000 0.474 507 S N 0.401 116.111 115.700 0.017 0.000 3.445 507 S HA -0.100 4.369 4.470 -0.000 0.000 0.319 507 S C 0.435 175.052 174.600 0.027 0.000 1.209 507 S CA 0.991 59.206 58.200 0.024 0.000 0.934 507 S CB -1.795 61.413 63.200 0.014 0.000 0.999 507 S HN 1.768 nan 8.310 nan 0.000 0.582 508 A N 1.018 123.853 122.820 0.026 0.000 2.312 508 A HA 0.687 5.006 4.320 -0.000 0.000 0.328 508 A C 0.130 177.763 177.584 0.081 0.000 1.158 508 A CA -0.549 51.512 52.037 0.040 0.000 0.821 508 A CB 0.860 19.866 19.000 0.010 0.000 1.170 508 A HN 0.541 nan 8.150 nan 0.000 0.490 509 E N 1.651 121.919 120.200 0.113 0.000 2.277 509 E HA 0.588 4.938 4.350 -0.000 0.000 0.266 509 E C -1.199 175.520 176.600 0.198 0.000 0.901 509 E CA -0.783 55.720 56.400 0.172 0.000 0.782 509 E CB 1.323 31.132 29.700 0.183 0.000 1.228 509 E HN 0.508 nan 8.360 nan 0.000 0.424 510 I N 3.010 123.742 120.570 0.270 0.000 2.517 510 I HA 0.032 4.202 4.170 -0.000 0.000 0.285 510 I C 1.348 177.569 176.117 0.173 0.000 1.106 510 I CA -0.417 61.038 61.300 0.259 0.000 1.402 510 I CB 0.378 38.584 38.000 0.344 0.000 1.399 510 I HN 0.441 nan 8.210 nan 0.000 0.535 511 R N 4.526 125.106 120.500 0.133 0.000 2.080 511 R HA 0.294 4.634 4.340 -0.000 0.000 0.222 511 R C 0.856 177.172 176.300 0.026 0.000 1.107 511 R CA 0.510 56.659 56.100 0.081 0.000 0.980 511 R CB -0.127 30.230 30.300 0.096 0.000 0.879 511 R HN 0.924 nan 8.270 nan 0.000 0.439 512 G N 0.217 109.056 108.800 0.065 0.000 2.350 512 G HA2 0.095 4.055 3.960 -0.000 0.000 0.276 512 G HA3 0.095 4.055 3.960 -0.000 0.000 0.276 512 G C -1.736 173.285 174.900 0.201 0.000 1.313 512 G CA -0.477 44.672 45.100 0.081 0.000 0.903 512 G HN 0.357 nan 8.290 nan 0.000 0.490 513 H N -0.313 118.785 119.070 0.046 0.000 2.895 513 H HA 0.699 5.255 4.556 -0.000 0.000 0.373 513 H C -1.417 173.941 175.328 0.051 0.000 1.174 513 H CA -1.015 55.100 56.048 0.111 0.000 1.144 513 H CB 1.977 31.775 29.762 0.060 0.000 1.793 513 H HN 0.478 nan 8.280 nan 0.000 0.551 514 N N 2.609 121.313 118.700 0.007 0.000 2.437 514 N HA 0.190 4.930 4.740 -0.000 0.000 0.243 514 N C -1.927 173.553 175.510 -0.049 0.000 1.041 514 N CA -2.292 50.675 53.050 -0.137 0.000 0.940 514 N CB 1.209 39.636 38.487 -0.100 0.000 1.133 514 N HN 0.364 nan 8.380 nan 0.000 0.506 515 P HA -0.071 nan 4.420 nan 0.000 0.221 515 P C 0.258 177.557 177.300 -0.003 0.000 1.145 515 P CA 0.964 64.062 63.100 -0.003 0.000 0.795 515 P CB 0.427 32.081 31.700 -0.077 0.000 0.775 516 D N -0.490 119.878 120.400 -0.055 0.000 2.269 516 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 516 D C 0.501 176.795 176.300 -0.011 0.000 0.963 516 D CA 0.686 54.654 54.000 -0.053 0.000 0.864 516 D CB -0.299 40.437 40.800 -0.107 0.000 0.936 516 D HN 0.351 nan 8.370 nan 0.000 0.505 517 E N 1.519 121.738 120.200 0.032 0.000 2.324 517 E HA 0.091 4.441 4.350 -0.000 0.000 0.271 517 E C -0.193 176.476 176.600 0.116 0.000 1.028 517 E CA -0.341 56.098 56.400 0.065 0.000 0.890 517 E CB 0.471 30.236 29.700 0.108 0.000 1.004 517 E HN 0.026 nan 8.360 nan 0.000 0.431 518 N N 1.603 120.355 118.700 0.086 0.000 2.520 518 N HA 0.087 4.827 4.740 -0.000 0.000 0.273 518 N C -0.764 174.875 175.510 0.215 0.000 1.155 518 N CA -0.244 52.868 53.050 0.104 0.000 0.967 518 N CB 1.052 39.571 38.487 0.053 0.000 1.092 518 N HN 0.130 nan 8.380 nan 0.000 0.457 519 V N 3.361 123.384 119.914 0.183 0.000 2.488 519 V HA 0.145 4.265 4.120 -0.000 0.000 0.277 519 V C 0.868 177.044 176.094 0.135 0.000 1.046 519 V CA -0.630 61.782 62.300 0.187 0.000 0.986 519 V CB 0.297 32.113 31.823 -0.012 0.000 0.989 519 V HN 0.450 nan 8.190 nan 0.000 0.475 520 L N 7.746 129.082 121.223 0.189 0.000 2.485 520 L HA 0.188 4.528 4.340 -0.000 0.000 0.275 520 L C -1.822 175.083 176.870 0.057 0.000 1.207 520 L CA -1.384 53.521 54.840 0.109 0.000 0.855 520 L CB 0.298 42.429 42.059 0.121 0.000 1.114 520 L HN 0.451 nan 8.230 nan 0.000 0.485 521 P HA 0.025 nan 4.420 nan 0.000 0.264 521 P C 0.734 178.043 177.300 0.015 0.000 1.193 521 P CA 0.531 63.643 63.100 0.019 0.000 0.763 521 P CB 0.751 32.460 31.700 0.015 0.000 0.810 522 G N 1.666 110.469 108.800 0.005 0.000 2.179 522 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 522 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 522 G C 0.215 175.115 174.900 -0.001 0.000 0.977 522 G CA 0.163 45.264 45.100 0.001 0.000 0.641 522 G HN 0.637 nan 8.290 nan 0.000 0.533 523 E N 0.513 120.713 120.200 -0.001 0.000 2.414 523 E HA 0.440 4.789 4.350 -0.000 0.000 0.263 523 E C 0.828 177.408 176.600 -0.034 0.000 1.000 523 E CA 0.382 56.778 56.400 -0.007 0.000 0.914 523 E CB 0.936 30.624 29.700 -0.020 0.000 0.948 523 E HN 1.136 nan 8.360 nan 0.000 0.444 524 V N 2.313 122.215 119.914 -0.020 0.000 2.769 524 V HA 0.409 4.529 4.120 -0.000 0.000 0.312 524 V C 0.047 176.130 176.094 -0.019 0.000 1.058 524 V CA -1.346 60.939 62.300 -0.025 0.000 0.952 524 V CB 1.408 33.222 31.823 -0.016 0.000 1.019 524 V HN 0.909 nan 8.190 nan 0.000 0.445 525 C N 4.342 123.631 119.300 -0.018 0.000 2.633 525 C HA 0.531 4.991 4.460 -0.000 0.000 0.415 525 C C 1.995 177.007 174.990 0.036 0.000 1.393 525 C CA 0.367 59.402 59.018 0.027 0.000 1.700 525 C CB -0.351 27.396 27.740 0.013 0.000 2.541 525 C HN 1.366 nan 8.230 nan 0.000 0.603 526 A N 4.949 127.835 122.820 0.110 0.000 2.070 526 A HA -0.023 4.297 4.320 -0.000 0.000 0.220 526 A C 1.859 179.411 177.584 -0.054 0.000 1.159 526 A CA 1.618 53.690 52.037 0.058 0.000 0.656 526 A CB -0.259 18.812 19.000 0.120 0.000 0.800 526 A HN 0.946 nan 8.150 nan 0.000 0.453 527 L N -1.199 119.937 121.223 -0.145 0.000 2.388 527 L HA 0.035 4.375 4.340 -0.000 0.000 0.209 527 L C 2.552 179.169 176.870 -0.422 0.000 1.061 527 L CA 1.178 55.714 54.840 -0.507 0.000 0.834 527 L CB -0.115 41.248 42.059 -1.158 0.000 1.029 527 L HN 0.490 nan 8.230 nan 0.000 0.473 528 S N -1.337 114.204 115.700 -0.264 0.000 2.506 528 S HA 0.242 4.712 4.470 -0.000 0.000 0.219 528 S C 1.583 176.111 174.600 -0.120 0.000 1.031 528 S CA 0.545 58.644 58.200 -0.169 0.000 0.911 528 S CB 1.013 63.992 63.200 -0.369 0.000 0.812 528 S HN 0.435 nan 8.310 nan 0.000 0.497 529 G N 1.468 110.212 108.800 -0.094 0.000 2.205 529 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.261 529 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.261 529 G C 0.081 174.939 174.900 -0.070 0.000 0.980 529 G CA 0.434 45.496 45.100 -0.063 0.000 0.632 529 G HN 0.625 nan 8.290 nan 0.000 0.533 530 K N 1.189 121.524 120.400 -0.108 0.000 2.149 530 K HA 0.438 4.758 4.320 -0.000 0.000 0.245 530 K C -2.247 174.324 176.600 -0.048 0.000 1.024 530 K CA -1.467 54.765 56.287 -0.091 0.000 0.899 530 K CB 0.291 32.703 32.500 -0.146 0.000 1.038 530 K HN 0.042 nan 8.250 nan 0.000 0.496 531 P HA -0.052 nan 4.420 nan 0.000 0.265 531 P C -1.215 176.057 177.300 -0.046 0.000 1.193 531 P CA 0.125 63.203 63.100 -0.036 0.000 0.765 531 P CB 0.605 32.287 31.700 -0.030 0.000 0.823 532 A N 3.124 125.896 122.820 -0.082 0.000 2.401 532 A HA 0.324 4.643 4.320 -0.000 0.000 0.259 532 A C 1.097 178.585 177.584 -0.160 0.000 1.103 532 A CA -0.116 51.835 52.037 -0.144 0.000 0.789 532 A CB -0.103 18.754 19.000 -0.238 0.000 1.035 532 A HN 0.523 nan 8.150 nan 0.000 0.491 533 V N -0.543 119.265 119.914 -0.178 0.000 3.605 533 V HA 0.365 4.485 4.120 -0.000 0.000 0.284 533 V C 0.421 176.405 176.094 -0.184 0.000 1.386 533 V CA 0.503 62.709 62.300 -0.157 0.000 1.053 533 V CB -1.544 30.197 31.823 -0.136 0.000 0.857 533 V HN 1.566 nan 8.190 nan 0.000 0.436 534 C N -2.049 117.095 119.300 -0.261 0.000 3.295 534 C HA 0.749 5.209 4.460 -0.000 0.000 0.341 534 C C -1.484 173.276 174.990 -0.384 0.000 1.418 534 C CA -1.124 57.763 59.018 -0.219 0.000 1.240 534 C CB 0.614 28.207 27.740 -0.245 0.000 1.562 534 C HN 0.329 nan 8.230 nan 0.000 0.457 535 Y N 1.578 121.844 120.300 -0.057 0.000 2.345 535 Y HA 0.653 5.203 4.550 -0.000 0.000 0.331 535 Y C 0.642 176.374 175.900 -0.281 0.000 0.959 535 Y CA -0.731 57.251 58.100 -0.198 0.000 1.204 535 Y CB 1.121 39.461 38.460 -0.199 0.000 1.135 535 Y HN 0.519 nan 8.280 nan 0.000 0.477 536 M N 3.060 122.354 119.600 -0.510 0.000 2.255 536 M HA 0.260 4.740 4.480 -0.000 0.000 0.336 536 M C -1.012 174.888 176.300 -0.667 0.000 1.135 536 M CA -0.460 54.492 55.300 -0.580 0.000 1.145 536 M CB 0.596 32.620 32.600 -0.962 0.000 1.473 536 M HN 0.601 nan 8.290 nan 0.000 0.462 537 Y N 0.043 120.201 120.300 -0.237 0.000 2.364 537 Y HA 0.418 4.968 4.550 -0.000 0.000 0.340 537 Y C -0.019 175.907 175.900 0.042 0.000 0.975 537 Y CA -0.646 57.413 58.100 -0.068 0.000 1.089 537 Y CB 1.954 40.398 38.460 -0.027 0.000 1.192 537 Y HN 0.730 nan 8.280 nan 0.000 0.454 538 C N 3.455 122.919 119.300 0.274 0.000 2.507 538 C HA 0.996 5.456 4.460 -0.000 0.000 0.319 538 C C -0.622 174.461 174.990 0.156 0.000 1.208 538 C CA -0.188 58.975 59.018 0.241 0.000 1.619 538 C CB -0.311 27.608 27.740 0.298 0.000 2.230 538 C HN 0.997 nan 8.230 nan 0.000 0.492 539 A N 4.615 127.506 122.820 0.119 0.000 2.601 539 A HA 0.666 4.986 4.320 -0.000 0.000 0.291 539 A C -1.485 176.138 177.584 0.064 0.000 1.075 539 A CA -0.682 51.402 52.037 0.079 0.000 0.671 539 A CB 0.906 19.956 19.000 0.083 0.000 1.277 539 A HN 0.871 nan 8.150 nan 0.000 0.417 540 K N 0.699 121.121 120.400 0.037 0.000 2.270 540 K HA 0.483 4.802 4.320 -0.000 0.000 0.276 540 K C 0.011 176.632 176.600 0.036 0.000 1.023 540 K CA 0.078 56.379 56.287 0.023 0.000 0.955 540 K CB 1.237 33.730 32.500 -0.011 0.000 0.975 540 K HN 0.561 nan 8.250 nan 0.000 0.471 541 S N 1.698 117.423 115.700 0.042 0.000 2.593 541 S HA 0.346 4.815 4.470 -0.000 0.000 0.297 541 S C -0.716 173.911 174.600 0.044 0.000 1.112 541 S CA -0.703 57.548 58.200 0.084 0.000 1.043 541 S CB 0.411 63.673 63.200 0.104 0.000 1.054 541 S HN 0.357 nan 8.310 nan 0.000 0.516 542 Y N 0.000 120.324 120.300 0.039 0.000 2.660 542 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 542 Y CA 0.000 58.121 58.100 0.034 0.000 1.940 542 Y CB 0.000 38.474 38.460 0.023 0.000 1.050 542 Y HN 0.000 nan 8.280 nan 0.000 0.758