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 2dby_1_A DATA FIRST_RESID 2 DATA SEQUENCE LAVGIVGLPN VGKSTLFNAL TRANALAANY PFATIDKNVG VVPLEDERLY DATA SEQUENCE ALQRTFAKGE RVPPVVPTHV EFVDIAGLVK GAHKGEGLGN QFLAHIREVA DATA SEQUENCE AIAHVLRCFP XXXXXXXXXX XDPLEDAEVV ETELLLADLA TLERRLERLR DATA SEQUENCE KEARADRERL PLLEAAEGLY VHLQEGKPAR TFPPSEAVAR FLKETPLLTA DATA SEQUENCE KPVIYVANVA EEDLPDGRGN PQVEAVRRKA LEEGAEVVVV SARLEAELAE DATA SEQUENCE LSGEEARELL AAYGLQESGL QRLARAGYRA LDLLTFFTAG EKEVRAWTVR DATA SEQUENCE RGTKAPRAAG EIHSDXERGF IRAEVIPWDK LVEAGGWARA KERGWVRLEG DATA SEQUENCE KDYEVQDGDV IYVLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.838 176.870 -0.053 0.000 1.165 2 L CA 0.000 54.820 54.840 -0.034 0.000 0.813 2 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 3 A N 1.370 124.147 122.820 -0.072 0.000 2.593 3 A HA 0.924 5.243 4.320 -0.001 0.000 0.290 3 A C -1.613 175.893 177.584 -0.131 0.000 1.126 3 A CA -0.598 51.367 52.037 -0.120 0.000 0.695 3 A CB 2.056 21.013 19.000 -0.070 0.000 1.290 3 A HN 0.197 nan 8.150 nan 0.000 0.414 4 V N 0.910 120.691 119.914 -0.223 0.000 2.398 4 V HA 0.606 4.726 4.120 -0.001 0.000 0.286 4 V C 0.838 176.979 176.094 0.078 0.000 1.026 4 V CA 0.014 62.252 62.300 -0.105 0.000 0.868 4 V CB 1.377 33.074 31.823 -0.210 0.000 0.982 4 V HN 1.223 nan 8.190 nan 0.000 0.443 5 G N 5.253 114.114 108.800 0.101 0.000 2.320 5 G HA2 0.609 4.569 3.960 -0.001 0.000 0.300 5 G HA3 0.609 4.569 3.960 -0.001 0.000 0.300 5 G C -0.452 174.577 174.900 0.215 0.000 1.126 5 G CA -0.476 44.705 45.100 0.135 0.000 0.896 5 G HN 0.653 nan 8.290 nan 0.000 0.436 6 I N 2.921 123.678 120.570 0.312 0.000 2.325 6 I HA 0.287 4.457 4.170 -0.001 0.000 0.291 6 I C 0.412 176.695 176.117 0.276 0.000 1.019 6 I CA -0.627 60.876 61.300 0.338 0.000 1.302 6 I CB 1.335 39.617 38.000 0.469 0.000 1.401 6 I HN 0.302 nan 8.210 nan 0.000 0.485 7 V N 3.003 123.045 119.914 0.215 0.000 2.960 7 V HA 1.088 5.208 4.120 -0.001 0.000 0.315 7 V C -0.149 175.996 176.094 0.086 0.000 1.087 7 V CA -0.469 61.928 62.300 0.161 0.000 0.982 7 V CB 1.797 33.711 31.823 0.152 0.000 1.039 7 V HN 0.882 nan 8.190 nan 0.000 0.437 8 G N 1.922 110.751 108.800 0.049 0.000 2.691 8 G HA2 0.521 4.481 3.960 -0.001 0.000 0.298 8 G HA3 0.521 4.481 3.960 -0.001 0.000 0.298 8 G C -1.370 173.553 174.900 0.038 0.000 1.471 8 G CA -0.928 44.227 45.100 0.092 0.000 0.912 8 G HN 0.891 nan 8.290 nan 0.000 0.553 9 L N 0.687 121.951 121.223 0.069 0.000 2.490 9 L HA 0.395 4.735 4.340 -0.001 0.000 0.245 9 L C -1.728 175.151 176.870 0.016 0.000 1.185 9 L CA -1.695 53.150 54.840 0.008 0.000 0.813 9 L CB 0.713 42.783 42.059 0.019 0.000 1.233 9 L HN 0.239 nan 8.230 nan 0.000 0.489 10 P HA 0.017 nan 4.420 nan 0.000 0.266 10 P C -0.814 176.489 177.300 0.005 0.000 1.195 10 P CA 0.255 63.356 63.100 0.002 0.000 0.768 10 P CB 0.075 31.770 31.700 -0.009 0.000 0.838 11 N N -0.046 118.664 118.700 0.017 0.000 2.696 11 N HA -0.153 4.586 4.740 -0.001 0.000 0.256 11 N C 0.299 175.810 175.510 0.002 0.000 1.031 11 N CA 0.627 53.688 53.050 0.017 0.000 0.730 11 N CB -1.485 37.004 38.487 0.003 0.000 0.894 11 N HN 0.274 nan 8.380 nan 0.000 0.544 12 V N -4.006 115.925 119.914 0.028 0.000 3.477 12 V HA 0.676 4.795 4.120 -0.001 0.000 0.297 12 V C 1.510 177.656 176.094 0.086 0.000 1.433 12 V CA 0.709 63.015 62.300 0.011 0.000 1.052 12 V CB 0.749 32.588 31.823 0.027 0.000 0.895 12 V HN 0.688 nan 8.190 nan 0.000 0.438 13 G N 1.180 110.052 108.800 0.120 0.000 2.159 13 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.227 13 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.227 13 G C 0.808 175.787 174.900 0.131 0.000 0.986 13 G CA 0.550 45.742 45.100 0.153 0.000 0.651 13 G HN 0.566 nan 8.290 nan 0.000 0.523 14 K N 1.089 121.575 120.400 0.142 0.000 2.057 14 K HA -0.081 4.239 4.320 -0.001 0.000 0.207 14 K C 2.859 179.615 176.600 0.260 0.000 1.049 14 K CA 2.167 58.573 56.287 0.199 0.000 0.931 14 K CB -0.239 32.393 32.500 0.220 0.000 0.714 14 K HN 0.624 nan 8.250 nan 0.000 0.440 15 S N -0.514 115.298 115.700 0.188 0.000 2.402 15 S HA -0.104 4.366 4.470 -0.001 0.000 0.229 15 S C 1.905 176.602 174.600 0.161 0.000 1.021 15 S CA 1.565 59.876 58.200 0.185 0.000 0.974 15 S CB -0.503 62.758 63.200 0.101 0.000 0.800 15 S HN 0.255 nan 8.310 nan 0.000 0.484 16 T N 2.752 117.373 114.554 0.111 0.000 2.737 16 T HA 0.058 4.407 4.350 -0.001 0.000 0.265 16 T C 1.652 176.372 174.700 0.034 0.000 1.038 16 T CA 1.307 63.447 62.100 0.066 0.000 1.144 16 T CB -0.565 68.335 68.868 0.055 0.000 0.866 16 T HN 0.298 nan 8.240 nan 0.000 0.434 17 L N 0.377 121.611 121.223 0.018 0.000 2.083 17 L HA 0.080 4.419 4.340 -0.001 0.000 0.209 17 L C 1.823 178.562 176.870 -0.217 0.000 1.083 17 L CA 1.640 56.413 54.840 -0.112 0.000 0.752 17 L CB -0.767 41.201 42.059 -0.152 0.000 0.899 17 L HN 0.195 nan 8.230 nan 0.000 0.433 18 F N -0.312 119.628 119.950 -0.017 0.000 2.502 18 F HA -0.114 4.412 4.527 -0.001 0.000 0.298 18 F C 2.191 177.981 175.800 -0.016 0.000 1.111 18 F CA 0.696 58.684 58.000 -0.019 0.000 1.445 18 F CB -0.405 38.593 39.000 -0.003 0.000 1.081 18 F HN 0.243 nan 8.300 nan 0.000 0.558 19 N N 0.418 119.184 118.700 0.110 0.000 2.120 19 N HA -0.151 4.589 4.740 -0.001 0.000 0.188 19 N C 2.114 177.633 175.510 0.016 0.000 1.024 19 N CA 1.358 54.446 53.050 0.064 0.000 0.852 19 N CB -0.669 37.840 38.487 0.037 0.000 1.003 19 N HN 0.274 nan 8.380 nan 0.000 0.424 20 A N 1.237 124.037 122.820 -0.034 0.000 1.902 20 A HA -0.033 4.287 4.320 -0.001 0.000 0.217 20 A C 2.410 179.943 177.584 -0.085 0.000 1.181 20 A CA 0.890 52.887 52.037 -0.066 0.000 0.623 20 A CB -0.730 18.210 19.000 -0.100 0.000 0.818 20 A HN 0.198 nan 8.150 nan 0.000 0.443 21 L N -0.807 120.325 121.223 -0.152 0.000 2.056 21 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 21 L C 2.743 179.615 176.870 0.003 0.000 1.078 21 L CA 1.723 56.471 54.840 -0.153 0.000 0.749 21 L CB -0.755 41.075 42.059 -0.383 0.000 0.901 21 L HN 0.333 nan 8.230 nan 0.000 0.433 22 T N -0.864 113.731 114.554 0.069 0.000 2.821 22 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 22 T C 2.026 176.759 174.700 0.055 0.000 1.046 22 T CA 1.018 63.173 62.100 0.091 0.000 1.139 22 T CB -0.101 68.831 68.868 0.107 0.000 0.871 22 T HN 0.271 nan 8.240 nan 0.000 0.454 23 R N 1.037 121.556 120.500 0.031 0.000 2.066 23 R HA 0.059 4.399 4.340 -0.001 0.000 0.232 23 R C 2.853 179.170 176.300 0.027 0.000 1.131 23 R CA 1.285 57.399 56.100 0.024 0.000 0.955 23 R CB -0.485 29.820 30.300 0.008 0.000 0.851 23 R HN 0.338 nan 8.270 nan 0.000 0.432 24 A N 1.404 124.231 122.820 0.013 0.000 1.940 24 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 24 A C 1.884 179.495 177.584 0.045 0.000 1.176 24 A CA 1.888 53.933 52.037 0.014 0.000 0.631 24 A CB -0.691 18.302 19.000 -0.013 0.000 0.814 24 A HN 0.355 nan 8.150 nan 0.000 0.446 25 N N 0.296 119.040 118.700 0.073 0.000 2.289 25 N HA -0.043 4.697 4.740 -0.001 0.000 0.184 25 N C 1.452 177.088 175.510 0.211 0.000 1.016 25 N CA 1.446 54.578 53.050 0.137 0.000 0.872 25 N CB -0.334 38.242 38.487 0.147 0.000 0.973 25 N HN 0.346 nan 8.380 nan 0.000 0.433 26 A N -0.334 122.571 122.820 0.140 0.000 2.209 26 A HA 0.100 4.420 4.320 -0.001 0.000 0.212 26 A C 1.731 179.399 177.584 0.140 0.000 1.158 26 A CA 0.432 52.561 52.037 0.152 0.000 0.742 26 A CB -0.389 18.658 19.000 0.078 0.000 0.790 26 A HN 0.382 nan 8.150 nan 0.000 0.472 27 L N -0.905 120.371 121.223 0.088 0.000 2.585 27 L HA 0.216 4.556 4.340 -0.001 0.000 0.226 27 L C 1.361 178.223 176.870 -0.015 0.000 1.113 27 L CA -0.111 54.752 54.840 0.039 0.000 0.876 27 L CB -0.277 41.793 42.059 0.019 0.000 1.072 27 L HN 0.360 nan 8.230 nan 0.000 0.468 28 A N 0.290 123.064 122.820 -0.077 0.000 2.498 28 A HA 0.376 4.695 4.320 -0.001 0.000 0.239 28 A C 1.315 178.679 177.584 -0.366 0.000 1.068 28 A CA 0.662 52.514 52.037 -0.309 0.000 0.766 28 A CB 0.555 19.153 19.000 -0.670 0.000 1.003 28 A HN 0.316 nan 8.150 nan 0.000 0.497 29 A N 2.524 125.186 122.820 -0.263 0.000 2.021 29 A HA 0.189 4.508 4.320 -0.001 0.000 0.216 29 A C 0.662 178.118 177.584 -0.212 0.000 1.163 29 A CA 1.105 53.030 52.037 -0.186 0.000 0.676 29 A CB -0.212 18.703 19.000 -0.141 0.000 0.818 29 A HN 0.867 nan 8.150 nan 0.000 0.453 30 N N -2.072 116.456 118.700 -0.287 0.000 2.287 30 N HA 0.527 5.267 4.740 -0.001 0.000 0.289 30 N C -1.809 173.557 175.510 -0.240 0.000 1.066 30 N CA -0.343 52.610 53.050 -0.161 0.000 0.841 30 N CB 1.510 39.966 38.487 -0.052 0.000 1.599 30 N HN 0.213 nan 8.380 nan 0.000 0.476 31 Y N 0.757 121.100 120.300 0.071 0.000 2.335 31 Y HA 0.476 5.026 4.550 -0.001 0.000 0.338 31 Y C -1.965 173.981 175.900 0.076 0.000 0.977 31 Y CA -1.882 56.233 58.100 0.025 0.000 1.114 31 Y CB 1.160 39.626 38.460 0.010 0.000 1.182 31 Y HN 0.374 nan 8.280 nan 0.000 0.463 32 P HA 0.061 nan 4.420 nan 0.000 0.271 32 P C 0.528 177.966 177.300 0.230 0.000 1.218 32 P CA -0.148 63.071 63.100 0.199 0.000 0.780 32 P CB 0.663 32.442 31.700 0.133 0.000 0.901 33 F N 2.428 122.423 119.950 0.074 0.000 2.202 33 F HA -0.253 4.273 4.527 -0.000 0.000 0.301 33 F C 2.085 177.903 175.800 0.030 0.000 1.082 33 F CA 1.459 59.489 58.000 0.050 0.000 1.313 33 F CB -0.067 38.957 39.000 0.040 0.000 1.024 33 F HN 0.371 nan 8.300 nan 0.000 0.495 34 A N -0.315 122.551 122.820 0.077 0.000 2.076 34 A HA -0.252 4.068 4.320 -0.001 0.000 0.220 34 A C 2.025 179.552 177.584 -0.095 0.000 1.160 34 A CA 1.941 53.958 52.037 -0.033 0.000 0.653 34 A CB -1.526 17.488 19.000 0.024 0.000 0.801 34 A HN 0.515 nan 8.150 nan 0.000 0.455 35 T N -2.093 112.422 114.554 -0.066 0.000 3.163 35 T HA 0.068 4.418 4.350 -0.001 0.000 0.260 35 T C 1.529 176.132 174.700 -0.160 0.000 1.156 35 T CA 0.880 62.938 62.100 -0.071 0.000 1.072 35 T CB -0.701 68.174 68.868 0.012 0.000 0.937 35 T HN 0.438 nan 8.240 nan 0.000 0.528 36 I N 1.315 121.727 120.570 -0.263 0.000 2.335 36 I HA -0.085 4.085 4.170 -0.001 0.000 0.251 36 I C 1.393 177.393 176.117 -0.195 0.000 1.129 36 I CA 0.802 61.931 61.300 -0.284 0.000 1.402 36 I CB -0.399 37.342 38.000 -0.432 0.000 1.069 36 I HN 0.314 nan 8.210 nan 0.000 0.424 37 D N 2.128 122.427 120.400 -0.169 0.000 2.425 37 D HA -0.073 4.567 4.640 -0.001 0.000 0.247 37 D C 1.231 177.467 176.300 -0.107 0.000 1.147 37 D CA 0.111 54.034 54.000 -0.128 0.000 0.879 37 D CB 1.085 41.814 40.800 -0.118 0.000 1.179 37 D HN 0.299 nan 8.370 nan 0.000 0.456 38 K N 2.869 123.208 120.400 -0.100 0.000 2.280 38 K HA -0.118 4.202 4.320 -0.001 0.000 0.202 38 K C 0.636 177.182 176.600 -0.090 0.000 1.047 38 K CA 0.934 57.169 56.287 -0.086 0.000 0.942 38 K CB 0.084 32.536 32.500 -0.080 0.000 0.739 38 K HN 0.180 nan 8.250 nan 0.000 0.457 39 N N 0.912 119.541 118.700 -0.119 0.000 2.322 39 N HA 0.063 4.803 4.740 -0.001 0.000 0.194 39 N C -0.867 174.602 175.510 -0.068 0.000 1.126 39 N CA 0.171 53.126 53.050 -0.159 0.000 0.845 39 N CB 0.862 39.215 38.487 -0.223 0.000 0.976 39 N HN -0.012 nan 8.380 nan 0.000 0.475 40 V N -0.006 119.896 119.914 -0.020 0.000 2.487 40 V HA 0.830 4.949 4.120 -0.001 0.000 0.298 40 V C 0.470 176.608 176.094 0.074 0.000 1.028 40 V CA -0.796 61.527 62.300 0.038 0.000 0.860 40 V CB 1.580 33.396 31.823 -0.012 0.000 0.991 40 V HN 0.158 nan 8.190 nan 0.000 0.427 41 G N 2.545 111.432 108.800 0.145 0.000 2.687 41 G HA2 0.798 4.758 3.960 -0.001 0.000 0.291 41 G HA3 0.798 4.758 3.960 -0.001 0.000 0.291 41 G C -1.255 173.727 174.900 0.137 0.000 1.420 41 G CA -0.157 45.026 45.100 0.139 0.000 0.796 41 G HN 1.124 nan 8.290 nan 0.000 0.485 42 V N -2.732 117.233 119.914 0.084 0.000 3.074 42 V HA 0.892 5.012 4.120 -0.001 0.000 0.314 42 V C -0.799 175.349 176.094 0.091 0.000 1.117 42 V CA -1.108 61.209 62.300 0.028 0.000 1.014 42 V CB 1.728 33.343 31.823 -0.347 0.000 1.057 42 V HN 0.719 nan 8.190 nan 0.000 0.438 43 V N 2.961 122.975 119.914 0.166 0.000 2.378 43 V HA 0.461 4.580 4.120 -0.001 0.000 0.288 43 V C -2.452 173.706 176.094 0.107 0.000 1.016 43 V CA -1.814 60.564 62.300 0.129 0.000 0.840 43 V CB 1.454 33.381 31.823 0.173 0.000 0.994 43 V HN 0.886 nan 8.190 nan 0.000 0.431 44 P HA 0.123 nan 4.420 nan 0.000 0.264 44 P C -0.405 176.892 177.300 -0.005 0.000 1.193 44 P CA 0.064 63.182 63.100 0.030 0.000 0.763 44 P CB 0.532 32.227 31.700 -0.008 0.000 0.810 45 L N 3.961 125.150 121.223 -0.056 0.000 2.260 45 L HA 0.187 4.527 4.340 -0.001 0.000 0.289 45 L C 0.787 177.589 176.870 -0.112 0.000 1.057 45 L CA -0.297 54.471 54.840 -0.119 0.000 0.811 45 L CB 0.441 42.344 42.059 -0.259 0.000 1.184 45 L HN 0.373 nan 8.230 nan 0.000 0.429 46 E N 3.048 123.204 120.200 -0.073 0.000 2.373 46 E HA 0.101 4.451 4.350 -0.001 0.000 0.267 46 E C -0.831 175.729 176.600 -0.066 0.000 1.032 46 E CA 0.080 56.456 56.400 -0.039 0.000 0.889 46 E CB 0.963 30.662 29.700 -0.002 0.000 0.984 46 E HN 0.314 nan 8.360 nan 0.000 0.425 47 D N 2.330 122.695 120.400 -0.058 0.000 2.470 47 D HA 0.037 4.677 4.640 -0.001 0.000 0.233 47 D C 0.136 176.380 176.300 -0.093 0.000 1.372 47 D CA -0.304 53.644 54.000 -0.086 0.000 0.994 47 D CB 0.941 41.689 40.800 -0.087 0.000 1.377 47 D HN 0.272 nan 8.370 nan 0.000 0.586 48 E N 2.069 122.242 120.200 -0.045 0.000 2.265 48 E HA -0.110 4.240 4.350 -0.001 0.000 0.196 48 E C 1.438 177.946 176.600 -0.154 0.000 0.996 48 E CA 0.622 57.036 56.400 0.024 0.000 0.832 48 E CB 0.244 29.957 29.700 0.022 0.000 0.756 48 E HN 0.528 nan 8.360 nan 0.000 0.491 49 R N 0.185 120.441 120.500 -0.406 0.000 2.152 49 R HA -0.040 4.300 4.340 -0.001 0.000 0.232 49 R C 2.501 178.436 176.300 -0.608 0.000 1.117 49 R CA 0.583 56.212 56.100 -0.785 0.000 0.981 49 R CB -0.258 29.226 30.300 -1.360 0.000 0.870 49 R HN 0.162 nan 8.270 nan 0.000 0.451 50 L N -0.744 120.188 121.223 -0.486 0.000 2.046 50 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 50 L C 1.901 178.514 176.870 -0.428 0.000 1.077 50 L CA 1.346 55.899 54.840 -0.479 0.000 0.747 50 L CB -0.405 41.344 42.059 -0.515 0.000 0.896 50 L HN 0.158 nan 8.230 nan 0.000 0.432 51 Y N -0.432 119.805 120.300 -0.104 0.000 2.314 51 Y HA -0.103 4.447 4.550 -0.000 0.000 0.293 51 Y C 2.566 178.449 175.900 -0.028 0.000 1.129 51 Y CA 0.704 58.775 58.100 -0.049 0.000 1.201 51 Y CB -0.801 37.634 38.460 -0.042 0.000 0.999 51 Y HN 0.102 nan 8.280 nan 0.000 0.541 52 A N 0.069 122.928 122.820 0.065 0.000 1.877 52 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 52 A C 2.228 179.860 177.584 0.080 0.000 1.186 52 A CA 1.492 53.587 52.037 0.097 0.000 0.620 52 A CB -1.058 18.048 19.000 0.177 0.000 0.822 52 A HN 0.451 nan 8.150 nan 0.000 0.443 53 L N -0.764 120.476 121.223 0.027 0.000 2.093 53 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 53 L C 2.883 179.873 176.870 0.200 0.000 1.085 53 L CA 1.671 56.576 54.840 0.109 0.000 0.755 53 L CB -0.445 41.630 42.059 0.026 0.000 0.904 53 L HN 0.624 nan 8.230 nan 0.000 0.435 54 Q N 0.498 120.365 119.800 0.112 0.000 2.084 54 Q HA -0.275 4.065 4.340 -0.001 0.000 0.202 54 Q C 2.383 178.468 176.000 0.141 0.000 0.978 54 Q CA 1.689 57.577 55.803 0.143 0.000 0.844 54 Q CB -0.062 28.742 28.738 0.110 0.000 0.898 54 Q HN 0.359 nan 8.270 nan 0.000 0.426 55 R N -0.492 120.069 120.500 0.101 0.000 2.092 55 R HA -0.095 4.245 4.340 -0.001 0.000 0.231 55 R C 1.914 178.214 176.300 -0.001 0.000 1.119 55 R CA 1.772 57.907 56.100 0.058 0.000 0.970 55 R CB -0.257 30.071 30.300 0.047 0.000 0.864 55 R HN 0.257 nan 8.270 nan 0.000 0.440 56 T N 0.288 114.807 114.554 -0.060 0.000 2.759 56 T HA -0.119 4.230 4.350 -0.001 0.000 0.269 56 T C 0.944 175.392 174.700 -0.420 0.000 1.042 56 T CA 1.417 63.348 62.100 -0.282 0.000 1.140 56 T CB -0.159 68.440 68.868 -0.449 0.000 0.864 56 T HN 0.235 nan 8.240 nan 0.000 0.455 57 F N 0.916 120.880 119.950 0.022 0.000 2.664 57 F HA 0.498 5.025 4.527 -0.001 0.000 0.303 57 F C 1.143 176.969 175.800 0.044 0.000 1.092 57 F CA -0.858 57.167 58.000 0.041 0.000 1.305 57 F CB 0.097 39.135 39.000 0.063 0.000 1.054 57 F HN 0.002 nan 8.300 nan 0.000 0.565 58 A N 1.112 124.015 122.820 0.139 0.000 2.366 58 A HA 0.572 4.892 4.320 -0.001 0.000 0.272 58 A C 0.039 177.665 177.584 0.070 0.000 1.135 58 A CA -0.232 51.867 52.037 0.104 0.000 0.804 58 A CB 0.306 19.353 19.000 0.078 0.000 1.064 58 A HN -0.008 nan 8.150 nan 0.000 0.499 59 K N 1.439 121.882 120.400 0.072 0.000 2.464 59 K HA 0.644 4.963 4.320 -0.001 0.000 0.253 59 K C 0.802 177.428 176.600 0.043 0.000 0.933 59 K CA 0.204 56.522 56.287 0.052 0.000 0.801 59 K CB 1.545 34.082 32.500 0.062 0.000 1.271 59 K HN 1.496 nan 8.250 nan 0.000 0.430 60 G N 2.882 111.701 108.800 0.031 0.000 2.634 60 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.318 60 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.318 60 G C 0.337 175.253 174.900 0.027 0.000 1.207 60 G CA 0.627 45.743 45.100 0.027 0.000 0.987 60 G HN 0.653 nan 8.290 nan 0.000 0.547 61 E N 0.981 121.198 120.200 0.029 0.000 2.498 61 E HA 0.161 4.511 4.350 -0.001 0.000 0.203 61 E C 0.899 177.520 176.600 0.035 0.000 1.013 61 E CA -0.259 56.158 56.400 0.028 0.000 0.927 61 E CB 0.559 30.273 29.700 0.024 0.000 1.012 61 E HN 0.407 nan 8.360 nan 0.000 0.482 62 R N 1.368 121.893 120.500 0.042 0.000 2.349 62 R HA 0.420 4.759 4.340 -0.001 0.000 0.299 62 R C -0.605 175.733 176.300 0.063 0.000 1.027 62 R CA -0.319 55.812 56.100 0.051 0.000 0.958 62 R CB 2.222 32.555 30.300 0.055 0.000 1.047 62 R HN -0.105 nan 8.270 nan 0.000 0.468 63 V N 4.504 124.457 119.914 0.066 0.000 2.623 63 V HA 0.442 4.561 4.120 -0.001 0.000 0.304 63 V C -2.380 173.763 176.094 0.082 0.000 1.054 63 V CA -2.256 60.092 62.300 0.081 0.000 0.882 63 V CB 2.223 34.091 31.823 0.074 0.000 1.002 63 V HN 0.688 nan 8.190 nan 0.000 0.424 64 P HA 0.402 nan 4.420 nan 0.000 0.275 64 P C -2.881 174.456 177.300 0.062 0.000 1.227 64 P CA -1.434 61.713 63.100 0.078 0.000 0.781 64 P CB 0.549 32.303 31.700 0.089 0.000 0.906 65 P HA 0.064 nan 4.420 nan 0.000 0.272 65 P C -0.441 176.855 177.300 -0.006 0.000 1.230 65 P CA -0.132 62.984 63.100 0.028 0.000 0.788 65 P CB 0.371 32.083 31.700 0.020 0.000 0.949 66 V N -0.227 119.663 119.914 -0.039 0.000 2.581 66 V HA 0.653 4.772 4.120 -0.001 0.000 0.303 66 V C -0.608 175.409 176.094 -0.128 0.000 1.041 66 V CA -0.817 61.409 62.300 -0.122 0.000 0.907 66 V CB 1.974 33.625 31.823 -0.287 0.000 0.994 66 V HN 0.168 nan 8.190 nan 0.000 0.442 67 V N 6.047 125.862 119.914 -0.166 0.000 2.380 67 V HA 0.497 4.617 4.120 -0.001 0.000 0.286 67 V C -2.135 173.803 176.094 -0.261 0.000 1.015 67 V CA -1.214 60.962 62.300 -0.206 0.000 0.834 67 V CB 1.586 33.258 31.823 -0.252 0.000 1.009 67 V HN 0.926 nan 8.190 nan 0.000 0.428 68 P HA 0.315 nan 4.420 nan 0.000 0.278 68 P C -0.091 177.021 177.300 -0.314 0.000 1.266 68 P CA -0.046 62.910 63.100 -0.240 0.000 0.807 68 P CB 1.673 33.272 31.700 -0.168 0.000 1.094 69 T N -1.197 113.153 114.554 -0.340 0.000 2.924 69 T HA 0.421 4.771 4.350 -0.001 0.000 0.301 69 T C -0.202 174.319 174.700 -0.299 0.000 1.120 69 T CA -0.281 61.551 62.100 -0.447 0.000 0.940 69 T CB 0.110 68.732 68.868 -0.410 0.000 1.591 69 T HN 0.751 nan 8.240 nan 0.000 0.578 70 H N -2.643 116.362 119.070 -0.109 0.000 2.932 70 H HA 0.630 5.186 4.556 -0.000 0.000 0.307 70 H C -2.054 173.279 175.328 0.009 0.000 1.391 70 H CA -0.978 55.032 56.048 -0.064 0.000 1.130 70 H CB 0.829 30.550 29.762 -0.068 0.000 1.836 70 H HN 0.437 nan 8.280 nan 0.000 0.522 71 V N 0.857 120.930 119.914 0.265 0.000 2.531 71 V HA 0.190 4.309 4.120 -0.001 0.000 0.301 71 V C -0.030 176.061 176.094 -0.005 0.000 1.034 71 V CA -0.690 61.688 62.300 0.129 0.000 0.865 71 V CB 1.645 33.515 31.823 0.078 0.000 0.995 71 V HN 0.782 nan 8.190 nan 0.000 0.424 72 E N 3.327 123.455 120.200 -0.121 0.000 2.249 72 E HA 0.570 4.920 4.350 -0.001 0.000 0.280 72 E C -1.716 174.679 176.600 -0.342 0.000 1.016 72 E CA -0.351 55.976 56.400 -0.122 0.000 0.830 72 E CB 0.948 30.616 29.700 -0.053 0.000 1.081 72 E HN 0.508 nan 8.360 nan 0.000 0.395 73 F N 2.647 122.639 119.950 0.070 0.000 2.551 73 F HA 0.411 4.938 4.527 -0.000 0.000 0.316 73 F C -0.574 175.323 175.800 0.162 0.000 1.089 73 F CA -0.861 57.204 58.000 0.108 0.000 0.915 73 F CB 1.966 41.015 39.000 0.081 0.000 1.186 73 F HN 0.153 nan 8.300 nan 0.000 0.456 74 V N 1.543 121.658 119.914 0.334 0.000 2.495 74 V HA 0.262 4.381 4.120 -0.001 0.000 0.298 74 V C -0.863 175.367 176.094 0.226 0.000 1.031 74 V CA -0.851 61.569 62.300 0.200 0.000 0.871 74 V CB 1.831 33.688 31.823 0.056 0.000 0.988 74 V HN 0.607 nan 8.190 nan 0.000 0.432 75 D N 4.638 125.002 120.400 -0.061 0.000 2.352 75 D HA 0.169 4.809 4.640 -0.001 0.000 0.245 75 D C -0.077 176.106 176.300 -0.194 0.000 1.224 75 D CA -0.313 53.436 54.000 -0.419 0.000 0.879 75 D CB 0.546 40.624 40.800 -1.204 0.000 1.057 75 D HN 0.214 nan 8.370 nan 0.000 0.491 76 I N 3.174 123.730 120.570 -0.023 0.000 2.452 76 I HA 0.172 4.341 4.170 -0.001 0.000 0.287 76 I C 0.725 176.897 176.117 0.091 0.000 1.079 76 I CA -0.471 60.834 61.300 0.009 0.000 1.387 76 I CB 0.026 38.057 38.000 0.052 0.000 1.404 76 I HN 0.362 nan 8.210 nan 0.000 0.522 77 A N 5.105 127.977 122.820 0.087 0.000 2.305 77 A HA 0.859 5.179 4.320 -0.001 0.000 0.322 77 A C 0.355 178.175 177.584 0.392 0.000 1.187 77 A CA 0.035 52.175 52.037 0.172 0.000 0.825 77 A CB 1.231 20.256 19.000 0.041 0.000 1.164 77 A HN 1.039 nan 8.150 nan 0.000 0.498 78 G N 0.268 109.226 108.800 0.262 0.000 2.326 78 G HA2 0.414 4.374 3.960 -0.001 0.000 0.478 78 G HA3 0.414 4.374 3.960 -0.001 0.000 0.478 78 G C -0.919 174.025 174.900 0.074 0.000 1.551 78 G CA -0.474 44.758 45.100 0.221 0.000 0.946 78 G HN 1.621 nan 8.290 nan 0.000 0.671 79 L N 2.176 123.401 121.223 0.004 0.000 2.453 79 L HA 0.483 4.822 4.340 -0.001 0.000 0.272 79 L C 1.150 177.902 176.870 -0.196 0.000 1.182 79 L CA -0.392 54.396 54.840 -0.087 0.000 0.858 79 L CB 0.990 43.016 42.059 -0.056 0.000 1.120 79 L HN 0.478 nan 8.230 nan 0.000 0.474 80 V N 3.243 122.946 119.914 -0.352 0.000 2.341 80 V HA -0.010 4.110 4.120 -0.001 0.000 0.240 80 V C 1.026 176.978 176.094 -0.237 0.000 1.035 80 V CA 0.775 62.743 62.300 -0.553 0.000 1.033 80 V CB -0.452 30.947 31.823 -0.705 0.000 0.678 80 V HN 0.759 nan 8.190 nan 0.000 0.464 81 K N 1.375 121.686 120.400 -0.150 0.000 2.292 81 K HA 0.400 4.720 4.320 -0.001 0.000 0.290 81 K C 0.202 176.772 176.600 -0.049 0.000 1.083 81 K CA -0.040 56.215 56.287 -0.052 0.000 0.918 81 K CB 0.447 32.930 32.500 -0.028 0.000 1.089 81 K HN 0.394 nan 8.250 nan 0.000 0.473 82 G N 1.756 110.515 108.800 -0.069 0.000 2.535 82 G HA2 0.425 4.384 3.960 -0.001 0.000 0.303 82 G HA3 0.425 4.384 3.960 -0.001 0.000 0.303 82 G C 0.419 175.251 174.900 -0.114 0.000 1.237 82 G CA -0.323 44.674 45.100 -0.171 0.000 0.986 82 G HN 0.673 nan 8.290 nan 0.000 0.494 83 A N -1.515 121.230 122.820 -0.125 0.000 2.132 83 A HA 0.226 4.546 4.320 -0.001 0.000 0.213 83 A C 1.082 178.700 177.584 0.056 0.000 1.154 83 A CA 0.824 52.858 52.037 -0.005 0.000 0.753 83 A CB -0.494 18.498 19.000 -0.013 0.000 0.826 83 A HN 0.867 nan 8.150 nan 0.000 0.469 84 H N -1.054 118.020 119.070 0.006 0.000 2.862 84 H HA -0.126 4.430 4.556 -0.001 0.000 0.290 84 H C 0.081 175.414 175.328 0.009 0.000 1.211 84 H CA 1.411 57.465 56.048 0.010 0.000 1.140 84 H CB -1.467 28.303 29.762 0.013 0.000 1.341 84 H HN 0.616 nan 8.280 nan 0.000 0.392 85 K N 0.050 120.465 120.400 0.026 0.000 2.514 85 K HA 0.279 4.598 4.320 -0.001 0.000 0.207 85 K C 1.470 178.074 176.600 0.008 0.000 1.035 85 K CA 0.442 56.745 56.287 0.027 0.000 1.113 85 K CB 0.946 33.458 32.500 0.019 0.000 0.846 85 K HN 0.463 nan 8.250 nan 0.000 0.491 86 G N 2.276 111.075 108.800 -0.002 0.000 2.184 86 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.264 86 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.264 86 G C 0.910 175.799 174.900 -0.018 0.000 0.975 86 G CA 0.819 45.915 45.100 -0.006 0.000 0.642 86 G HN 0.511 nan 8.290 nan 0.000 0.536 87 E N 0.878 121.061 120.200 -0.028 0.000 2.285 87 E HA 0.227 4.577 4.350 -0.001 0.000 0.194 87 E C 1.910 178.487 176.600 -0.038 0.000 0.997 87 E CA 1.472 57.855 56.400 -0.029 0.000 0.845 87 E CB -0.707 28.976 29.700 -0.028 0.000 0.782 87 E HN 1.813 nan 8.360 nan 0.000 0.491 88 G N 1.002 109.769 108.800 -0.055 0.000 2.195 88 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.224 88 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.224 88 G C 0.235 175.094 174.900 -0.068 0.000 0.990 88 G CA 0.110 45.176 45.100 -0.056 0.000 0.639 88 G HN 0.246 nan 8.290 nan 0.000 0.514 89 L N 0.615 121.789 121.223 -0.081 0.000 2.540 89 L HA 0.372 4.712 4.340 -0.001 0.000 0.276 89 L C 1.864 178.675 176.870 -0.099 0.000 1.212 89 L CA 1.589 56.380 54.840 -0.081 0.000 0.893 89 L CB 0.440 42.448 42.059 -0.085 0.000 1.138 89 L HN 1.171 nan 8.230 nan 0.000 0.491 90 G N 2.129 110.896 108.800 -0.055 0.000 2.199 90 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.254 90 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.254 90 G C 0.947 175.869 174.900 0.035 0.000 0.982 90 G CA 0.363 45.455 45.100 -0.013 0.000 0.632 90 G HN 0.668 nan 8.290 nan 0.000 0.529 91 N N 0.376 119.066 118.700 -0.016 0.000 2.188 91 N HA -0.036 4.704 4.740 -0.001 0.000 0.184 91 N C 2.264 177.740 175.510 -0.057 0.000 1.018 91 N CA 1.501 54.536 53.050 -0.024 0.000 0.858 91 N CB -0.235 38.228 38.487 -0.041 0.000 0.989 91 N HN 0.502 nan 8.380 nan 0.000 0.426 92 Q N -0.159 119.592 119.800 -0.081 0.000 2.084 92 Q HA -0.085 4.255 4.340 -0.001 0.000 0.202 92 Q C 1.921 177.741 176.000 -0.301 0.000 0.978 92 Q CA 0.771 56.429 55.803 -0.241 0.000 0.844 92 Q CB -0.571 28.065 28.738 -0.169 0.000 0.898 92 Q HN 0.400 nan 8.270 nan 0.000 0.426 93 F N 1.405 121.252 119.950 -0.172 0.000 2.095 93 F HA -0.206 4.320 4.527 -0.000 0.000 0.298 93 F C 2.044 177.815 175.800 -0.049 0.000 1.104 93 F CA 1.214 59.178 58.000 -0.061 0.000 1.232 93 F CB -0.308 38.682 39.000 -0.017 0.000 0.987 93 F HN -0.031 nan 8.300 nan 0.000 0.475 94 L N -0.094 121.127 121.223 -0.004 0.000 2.046 94 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 94 L C 2.805 179.589 176.870 -0.143 0.000 1.077 94 L CA 1.163 55.952 54.840 -0.084 0.000 0.747 94 L CB -1.289 40.788 42.059 0.030 0.000 0.896 94 L HN 0.265 nan 8.230 nan 0.000 0.432 95 A N -0.582 122.142 122.820 -0.161 0.000 1.933 95 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 95 A C 1.986 179.509 177.584 -0.101 0.000 1.175 95 A CA 1.637 53.586 52.037 -0.146 0.000 0.628 95 A CB -0.882 18.003 19.000 -0.192 0.000 0.814 95 A HN 0.502 nan 8.150 nan 0.000 0.444 96 H N -1.043 117.948 119.070 -0.130 0.000 2.357 96 H HA -0.010 4.546 4.556 -0.001 0.000 0.301 96 H C 1.925 177.134 175.328 -0.200 0.000 1.082 96 H CA 0.887 56.846 56.048 -0.148 0.000 1.342 96 H CB 0.016 29.691 29.762 -0.145 0.000 1.389 96 H HN 0.315 nan 8.280 nan 0.000 0.511 97 I N 1.133 121.575 120.570 -0.213 0.000 2.286 97 I HA -0.238 3.932 4.170 -0.001 0.000 0.248 97 I C 2.105 178.155 176.117 -0.112 0.000 1.115 97 I CA 1.336 62.491 61.300 -0.241 0.000 1.392 97 I CB -0.674 37.093 38.000 -0.389 0.000 1.065 97 I HN 0.297 nan 8.210 nan 0.000 0.418 98 R N 0.675 121.123 120.500 -0.086 0.000 2.159 98 R HA -0.170 4.170 4.340 -0.001 0.000 0.237 98 R C 1.675 177.956 176.300 -0.031 0.000 1.131 98 R CA 1.077 57.148 56.100 -0.048 0.000 0.982 98 R CB -0.183 30.094 30.300 -0.038 0.000 0.868 98 R HN 0.516 nan 8.270 nan 0.000 0.453 99 E N 0.483 120.671 120.200 -0.021 0.000 2.502 99 E HA -0.012 4.337 4.350 -0.001 0.000 0.194 99 E C 0.277 176.866 176.600 -0.017 0.000 1.062 99 E CA 0.163 56.557 56.400 -0.010 0.000 0.867 99 E CB 0.447 30.153 29.700 0.009 0.000 0.888 99 E HN 0.137 nan 8.360 nan 0.000 0.510 100 V N -3.205 116.694 119.914 -0.026 0.000 2.994 100 V HA 0.647 4.767 4.120 -0.001 0.000 0.318 100 V C 0.719 176.798 176.094 -0.025 0.000 1.085 100 V CA -0.474 61.811 62.300 -0.025 0.000 0.998 100 V CB 1.673 33.484 31.823 -0.019 0.000 1.063 100 V HN -0.081 nan 8.190 nan 0.000 0.447 101 A N 1.409 124.212 122.820 -0.029 0.000 2.095 101 A HA 0.842 5.162 4.320 -0.001 0.000 0.212 101 A C 1.075 178.648 177.584 -0.019 0.000 1.162 101 A CA 0.809 52.829 52.037 -0.029 0.000 0.753 101 A CB -0.276 18.700 19.000 -0.041 0.000 0.840 101 A HN 1.947 nan 8.150 nan 0.000 0.468 102 A N -0.969 121.843 122.820 -0.012 0.000 2.594 102 A HA 0.737 5.057 4.320 -0.001 0.000 0.291 102 A C -1.220 176.388 177.584 0.041 0.000 1.105 102 A CA -0.463 51.582 52.037 0.012 0.000 0.694 102 A CB 0.821 19.825 19.000 0.006 0.000 1.291 102 A HN 0.197 nan 8.150 nan 0.000 0.410 103 I N 0.490 121.105 120.570 0.074 0.000 2.545 103 I HA 0.626 4.796 4.170 -0.001 0.000 0.292 103 I C 0.148 176.370 176.117 0.174 0.000 1.040 103 I CA -0.635 60.736 61.300 0.117 0.000 1.068 103 I CB 2.195 40.265 38.000 0.116 0.000 1.251 103 I HN 0.774 nan 8.210 nan 0.000 0.424 104 A N 4.845 127.799 122.820 0.224 0.000 2.311 104 A HA 0.467 4.787 4.320 -0.001 0.000 0.306 104 A C -1.190 176.581 177.584 0.312 0.000 1.189 104 A CA -0.376 51.820 52.037 0.266 0.000 0.791 104 A CB 0.409 19.577 19.000 0.279 0.000 1.172 104 A HN 0.875 nan 8.150 nan 0.000 0.481 105 H N 2.468 121.687 119.070 0.248 0.000 2.541 105 H HA 0.516 5.072 4.556 -0.001 0.000 0.316 105 H C -0.893 174.531 175.328 0.160 0.000 1.043 105 H CA -0.715 55.467 56.048 0.222 0.000 1.232 105 H CB 1.043 30.962 29.762 0.262 0.000 1.406 105 H HN 0.403 nan 8.280 nan 0.000 0.469 106 V N 7.661 127.824 119.914 0.416 0.000 2.488 106 V HA 0.105 4.224 4.120 -0.001 0.000 0.277 106 V C 0.091 176.277 176.094 0.152 0.000 1.046 106 V CA -0.158 62.279 62.300 0.228 0.000 0.986 106 V CB 0.669 32.604 31.823 0.186 0.000 0.989 106 V HN 0.607 nan 8.190 nan 0.000 0.475 107 L N 5.457 126.679 121.223 -0.000 0.000 2.356 107 L HA 0.583 4.923 4.340 -0.001 0.000 0.277 107 L C 0.201 177.018 176.870 -0.088 0.000 0.996 107 L CA -0.661 54.105 54.840 -0.123 0.000 0.822 107 L CB 1.912 43.808 42.059 -0.272 0.000 1.256 107 L HN 0.602 nan 8.230 nan 0.000 0.413 108 R N 2.233 122.651 120.500 -0.137 0.000 2.316 108 R HA 0.232 4.572 4.340 -0.001 0.000 0.314 108 R C -0.459 175.688 176.300 -0.257 0.000 1.069 108 R CA -0.172 55.777 56.100 -0.251 0.000 0.959 108 R CB 0.552 30.631 30.300 -0.368 0.000 0.987 108 R HN 0.770 nan 8.270 nan 0.000 0.446 109 C N 6.366 125.553 119.300 -0.189 0.000 2.849 109 C HA 0.368 4.827 4.460 -0.001 0.000 0.271 109 C C -1.082 173.912 174.990 0.008 0.000 1.519 109 C CA -0.745 58.226 59.018 -0.077 0.000 1.783 109 C CB -1.633 26.116 27.740 0.016 0.000 2.869 109 C HN 0.761 nan 8.230 nan 0.000 0.527 110 F N -1.482 118.464 119.950 -0.005 0.000 2.645 110 F HA 0.846 5.372 4.527 -0.001 0.000 0.310 110 F C -3.051 172.748 175.800 -0.002 0.000 1.102 110 F CA -2.780 55.220 58.000 -0.001 0.000 0.952 110 F CB -0.610 38.392 39.000 0.004 0.000 1.326 110 F HN -0.253 nan 8.300 nan 0.000 0.456 124 P HA -0.132 nan 4.420 nan 0.000 0.216 124 P C 1.729 178.901 177.300 -0.214 0.000 1.150 124 P CA 0.414 63.406 63.100 -0.180 0.000 0.837 124 P CB 0.608 32.198 31.700 -0.184 0.000 0.786 125 L N -0.014 121.110 121.223 -0.166 0.000 2.191 125 L HA -0.130 4.210 4.340 -0.001 0.000 0.212 125 L C 2.648 179.447 176.870 -0.119 0.000 1.103 125 L CA 1.698 56.445 54.840 -0.156 0.000 0.769 125 L CB -1.626 40.378 42.059 -0.093 0.000 0.908 125 L HN -0.052 nan 8.230 nan 0.000 0.438 126 E N -0.395 119.749 120.200 -0.094 0.000 2.072 126 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 126 E C 1.789 178.359 176.600 -0.052 0.000 0.985 126 E CA 1.100 57.465 56.400 -0.060 0.000 0.801 126 E CB -0.027 29.643 29.700 -0.050 0.000 0.750 126 E HN 0.380 nan 8.360 nan 0.000 0.452 127 D N -0.297 120.057 120.400 -0.077 0.000 2.104 127 D HA -0.143 4.496 4.640 -0.001 0.000 0.194 127 D C 1.752 178.065 176.300 0.021 0.000 0.994 127 D CA 1.610 55.594 54.000 -0.026 0.000 0.830 127 D CB -0.482 40.284 40.800 -0.057 0.000 0.959 127 D HN 0.278 nan 8.370 nan 0.000 0.452 128 A N 0.664 123.371 122.820 -0.188 0.000 1.908 128 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 128 A C 2.116 179.744 177.584 0.074 0.000 1.181 128 A CA 1.928 53.872 52.037 -0.154 0.000 0.627 128 A CB -0.667 18.085 19.000 -0.414 0.000 0.818 128 A HN 0.309 nan 8.150 nan 0.000 0.445 129 E N -0.286 119.926 120.200 0.020 0.000 2.150 129 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 129 E C 1.845 178.481 176.600 0.060 0.000 0.985 129 E CA 1.210 57.637 56.400 0.046 0.000 0.814 129 E CB -0.108 29.599 29.700 0.013 0.000 0.752 129 E HN 0.333 nan 8.360 nan 0.000 0.466 130 V N 0.425 120.372 119.914 0.054 0.000 2.295 130 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 130 V C 2.391 178.521 176.094 0.059 0.000 1.049 130 V CA 1.509 63.834 62.300 0.041 0.000 1.024 130 V CB -0.271 31.562 31.823 0.016 0.000 0.648 130 V HN 0.214 nan 8.190 nan 0.000 0.447 131 V N -0.065 119.915 119.914 0.110 0.000 2.307 131 V HA -0.238 3.882 4.120 -0.001 0.000 0.245 131 V C 2.548 178.746 176.094 0.173 0.000 1.045 131 V CA 2.211 64.581 62.300 0.116 0.000 1.024 131 V CB -0.613 31.289 31.823 0.133 0.000 0.651 131 V HN 0.627 nan 8.190 nan 0.000 0.449 132 E N 0.476 120.787 120.200 0.184 0.000 2.085 132 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 132 E C 2.169 178.839 176.600 0.115 0.000 0.994 132 E CA 2.142 58.641 56.400 0.164 0.000 0.801 132 E CB -0.575 29.222 29.700 0.163 0.000 0.743 132 E HN 0.547 nan 8.360 nan 0.000 0.453 133 T N 1.044 115.650 114.554 0.086 0.000 2.720 133 T HA -0.133 4.217 4.350 -0.001 0.000 0.268 133 T C 1.414 176.154 174.700 0.066 0.000 1.037 133 T CA 1.471 63.602 62.100 0.052 0.000 1.144 133 T CB -0.236 68.649 68.868 0.029 0.000 0.864 133 T HN 0.191 nan 8.240 nan 0.000 0.444 134 E N 1.123 121.387 120.200 0.107 0.000 2.110 134 E HA -0.004 4.345 4.350 -0.001 0.000 0.193 134 E C 2.313 179.016 176.600 0.172 0.000 0.988 134 E CA 0.690 57.187 56.400 0.161 0.000 0.804 134 E CB -0.458 29.349 29.700 0.178 0.000 0.745 134 E HN 0.484 nan 8.360 nan 0.000 0.458 135 L N 0.173 121.499 121.223 0.172 0.000 2.093 135 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 135 L C 2.581 179.517 176.870 0.110 0.000 1.085 135 L CA 0.676 55.607 54.840 0.150 0.000 0.755 135 L CB -0.474 41.676 42.059 0.152 0.000 0.904 135 L HN 0.097 nan 8.230 nan 0.000 0.435 136 L N -0.381 120.895 121.223 0.089 0.000 2.046 136 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 136 L C 2.548 179.446 176.870 0.045 0.000 1.077 136 L CA 1.195 56.070 54.840 0.058 0.000 0.747 136 L CB -0.370 41.707 42.059 0.029 0.000 0.896 136 L HN 0.236 nan 8.230 nan 0.000 0.432 137 L N -0.639 120.604 121.223 0.034 0.000 2.046 137 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 137 L C 2.828 179.740 176.870 0.070 0.000 1.077 137 L CA 1.208 56.054 54.840 0.010 0.000 0.747 137 L CB -0.710 41.301 42.059 -0.081 0.000 0.896 137 L HN 0.260 nan 8.230 nan 0.000 0.432 138 A N -0.383 122.501 122.820 0.106 0.000 1.898 138 A HA -0.213 4.107 4.320 -0.001 0.000 0.216 138 A C 1.920 179.561 177.584 0.095 0.000 1.181 138 A CA 1.861 53.962 52.037 0.108 0.000 0.620 138 A CB -0.448 18.617 19.000 0.108 0.000 0.819 138 A HN 0.325 nan 8.150 nan 0.000 0.442 139 D N -0.052 120.405 120.400 0.095 0.000 2.144 139 D HA -0.069 4.571 4.640 -0.001 0.000 0.200 139 D C 1.915 178.293 176.300 0.130 0.000 0.978 139 D CA 0.798 54.862 54.000 0.107 0.000 0.833 139 D CB -0.244 40.619 40.800 0.104 0.000 0.961 139 D HN 0.443 nan 8.370 nan 0.000 0.470 140 L N 0.472 121.766 121.223 0.118 0.000 2.056 140 L HA -0.121 4.219 4.340 -0.001 0.000 0.207 140 L C 2.481 179.471 176.870 0.199 0.000 1.078 140 L CA 1.087 56.033 54.840 0.177 0.000 0.749 140 L CB -0.358 41.757 42.059 0.094 0.000 0.901 140 L HN -0.025 nan 8.230 nan 0.000 0.433 141 A N -0.544 122.353 122.820 0.129 0.000 1.902 141 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 141 A C 2.362 179.999 177.584 0.089 0.000 1.181 141 A CA 2.297 54.395 52.037 0.102 0.000 0.623 141 A CB -0.890 18.162 19.000 0.086 0.000 0.818 141 A HN 0.369 nan 8.150 nan 0.000 0.443 142 T N 0.406 115.018 114.554 0.097 0.000 2.746 142 T HA -0.093 4.257 4.350 -0.001 0.000 0.267 142 T C 1.808 176.574 174.700 0.111 0.000 1.039 142 T CA 1.489 63.644 62.100 0.092 0.000 1.142 142 T CB -0.370 68.556 68.868 0.097 0.000 0.866 142 T HN 0.359 nan 8.240 nan 0.000 0.444 143 L N 0.502 121.808 121.223 0.140 0.000 2.046 143 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 143 L C 2.692 179.534 176.870 -0.046 0.000 1.077 143 L CA 1.422 56.325 54.840 0.105 0.000 0.747 143 L CB -0.473 41.700 42.059 0.189 0.000 0.896 143 L HN 0.319 nan 8.230 nan 0.000 0.432 144 E N -0.315 119.856 120.200 -0.049 0.000 2.077 144 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 144 E C 2.348 178.901 176.600 -0.077 0.000 0.989 144 E CA 1.085 57.398 56.400 -0.144 0.000 0.800 144 E CB -0.023 29.651 29.700 -0.043 0.000 0.746 144 E HN 0.370 nan 8.360 nan 0.000 0.452 145 R N 0.267 120.759 120.500 -0.013 0.000 2.075 145 R HA -0.025 4.315 4.340 -0.001 0.000 0.232 145 R C 2.304 178.606 176.300 0.004 0.000 1.126 145 R CA 0.841 56.940 56.100 -0.001 0.000 0.963 145 R CB -0.043 30.267 30.300 0.017 0.000 0.858 145 R HN 0.014 nan 8.270 nan 0.000 0.435 146 R N 0.870 121.391 120.500 0.035 0.000 2.092 146 R HA -0.032 4.307 4.340 -0.001 0.000 0.231 146 R C 2.307 178.622 176.300 0.025 0.000 1.119 146 R CA 0.972 57.117 56.100 0.074 0.000 0.970 146 R CB -0.811 29.623 30.300 0.222 0.000 0.864 146 R HN 0.275 nan 8.270 nan 0.000 0.440 147 L N 1.002 122.195 121.223 -0.051 0.000 2.042 147 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 147 L C 2.365 179.191 176.870 -0.072 0.000 1.076 147 L CA 1.449 56.226 54.840 -0.104 0.000 0.749 147 L CB -0.365 41.561 42.059 -0.221 0.000 0.893 147 L HN 0.236 nan 8.230 nan 0.000 0.432 148 E N -0.366 119.796 120.200 -0.064 0.000 2.047 148 E HA -0.186 4.164 4.350 -0.001 0.000 0.191 148 E C 2.369 178.955 176.600 -0.023 0.000 0.987 148 E CA 0.801 57.175 56.400 -0.044 0.000 0.799 148 E CB -0.091 29.586 29.700 -0.038 0.000 0.752 148 E HN 0.396 nan 8.360 nan 0.000 0.449 149 R N 0.650 121.144 120.500 -0.010 0.000 2.066 149 R HA -0.057 4.283 4.340 -0.001 0.000 0.232 149 R C 2.580 178.883 176.300 0.005 0.000 1.131 149 R CA 0.756 56.856 56.100 -0.000 0.000 0.955 149 R CB -0.595 29.709 30.300 0.008 0.000 0.851 149 R HN 0.217 nan 8.270 nan 0.000 0.432 150 L N 0.009 121.241 121.223 0.014 0.000 2.083 150 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 150 L C 2.802 179.673 176.870 0.002 0.000 1.083 150 L CA 1.129 55.981 54.840 0.020 0.000 0.752 150 L CB -0.371 41.714 42.059 0.043 0.000 0.899 150 L HN 0.159 nan 8.230 nan 0.000 0.433 151 R N -0.058 120.434 120.500 -0.013 0.000 2.096 151 R HA -0.149 4.191 4.340 -0.001 0.000 0.235 151 R C 2.334 178.628 176.300 -0.011 0.000 1.127 151 R CA 1.062 57.151 56.100 -0.018 0.000 0.968 151 R CB 0.100 30.383 30.300 -0.029 0.000 0.861 151 R HN 0.123 nan 8.270 nan 0.000 0.440 152 K N 0.703 121.098 120.400 -0.009 0.000 2.062 152 K HA -0.103 4.217 4.320 -0.001 0.000 0.205 152 K C 1.823 178.421 176.600 -0.003 0.000 1.051 152 K CA 1.407 57.690 56.287 -0.007 0.000 0.941 152 K CB 0.022 32.518 32.500 -0.006 0.000 0.719 152 K HN 0.341 nan 8.250 nan 0.000 0.440 153 E N 0.266 120.466 120.200 -0.000 0.000 2.106 153 E HA -0.123 4.227 4.350 -0.001 0.000 0.192 153 E C 1.900 178.502 176.600 0.003 0.000 0.984 153 E CA 0.945 57.347 56.400 0.002 0.000 0.806 153 E CB -0.050 29.654 29.700 0.006 0.000 0.750 153 E HN 0.242 nan 8.360 nan 0.000 0.458 154 A N 1.585 124.407 122.820 0.003 0.000 1.969 154 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 154 A C 2.116 179.701 177.584 0.001 0.000 1.169 154 A CA 1.383 53.422 52.037 0.003 0.000 0.635 154 A CB -0.317 18.684 19.000 0.002 0.000 0.810 154 A HN 0.004 nan 8.150 nan 0.000 0.445 155 R N 0.152 120.651 120.500 -0.002 0.000 2.152 155 R HA 0.033 4.373 4.340 -0.001 0.000 0.232 155 R C 1.715 178.014 176.300 -0.001 0.000 1.117 155 R CA 1.757 57.856 56.100 -0.002 0.000 0.981 155 R CB -0.567 29.731 30.300 -0.004 0.000 0.870 155 R HN 0.379 nan 8.270 nan 0.000 0.451 156 A N -1.223 121.596 122.820 -0.001 0.000 2.220 156 A HA 0.165 4.485 4.320 -0.001 0.000 0.211 156 A C -0.245 177.340 177.584 0.000 0.000 1.176 156 A CA 0.468 52.504 52.037 -0.001 0.000 0.834 156 A CB 0.250 19.250 19.000 -0.001 0.000 0.868 156 A HN 0.295 nan 8.150 nan 0.000 0.488 157 D N -0.795 119.606 120.400 0.001 0.000 2.365 157 D HA 0.146 4.786 4.640 -0.001 0.000 0.235 157 D C 0.937 177.239 176.300 0.004 0.000 1.368 157 D CA -0.446 53.555 54.000 0.002 0.000 1.001 157 D CB 0.688 41.490 40.800 0.002 0.000 1.364 157 D HN 0.257 nan 8.370 nan 0.000 0.577 158 R N 2.036 122.538 120.500 0.004 0.000 2.200 158 R HA -0.126 4.214 4.340 -0.001 0.000 0.234 158 R C 0.718 177.022 176.300 0.007 0.000 1.127 158 R CA 1.105 57.208 56.100 0.005 0.000 0.989 158 R CB 0.022 30.325 30.300 0.004 0.000 0.869 158 R HN 0.133 nan 8.270 nan 0.000 0.459 159 E N 0.526 120.730 120.200 0.007 0.000 2.338 159 E HA -0.059 4.291 4.350 -0.001 0.000 0.197 159 E C 1.395 178.003 176.600 0.014 0.000 1.007 159 E CA 0.735 57.140 56.400 0.009 0.000 0.849 159 E CB 0.097 29.801 29.700 0.007 0.000 0.774 159 E HN 0.295 nan 8.360 nan 0.000 0.506 160 R N -0.493 120.016 120.500 0.015 0.000 2.246 160 R HA 0.071 4.411 4.340 -0.001 0.000 0.199 160 R C 1.940 178.256 176.300 0.026 0.000 0.984 160 R CA 0.031 56.145 56.100 0.023 0.000 1.015 160 R CB -0.536 29.775 30.300 0.019 0.000 0.930 160 R HN 0.195 nan 8.270 nan 0.000 0.475 161 L N 2.297 123.530 121.223 0.017 0.000 2.043 161 L HA -0.078 4.262 4.340 -0.001 0.000 0.212 161 L C -0.963 175.915 176.870 0.014 0.000 1.075 161 L CA 2.053 56.900 54.840 0.011 0.000 0.752 161 L CB -1.210 40.853 42.059 0.007 0.000 0.891 161 L HN 0.026 nan 8.230 nan 0.000 0.432 162 P HA -0.138 nan 4.420 nan 0.000 0.217 162 P C 1.909 179.232 177.300 0.037 0.000 1.150 162 P CA 1.197 64.312 63.100 0.026 0.000 0.832 162 P CB 0.029 31.748 31.700 0.032 0.000 0.787 163 L N -1.548 119.718 121.223 0.071 0.000 2.093 163 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 163 L C 2.316 179.215 176.870 0.048 0.000 1.085 163 L CA 1.412 56.342 54.840 0.149 0.000 0.755 163 L CB -1.595 40.597 42.059 0.223 0.000 0.904 163 L HN -0.045 nan 8.230 nan 0.000 0.435 164 L N -0.637 120.595 121.223 0.015 0.000 2.046 164 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 164 L C 2.449 179.258 176.870 -0.102 0.000 1.077 164 L CA 1.767 56.579 54.840 -0.046 0.000 0.747 164 L CB -0.618 41.426 42.059 -0.024 0.000 0.896 164 L HN 0.227 nan 8.230 nan 0.000 0.432 165 E N 0.122 120.283 120.200 -0.065 0.000 2.150 165 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 165 E C 2.237 178.771 176.600 -0.111 0.000 0.985 165 E CA 1.215 57.577 56.400 -0.064 0.000 0.814 165 E CB -0.603 29.084 29.700 -0.022 0.000 0.752 165 E HN 0.639 nan 8.360 nan 0.000 0.466 166 A N 1.596 124.329 122.820 -0.145 0.000 1.898 166 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 166 A C 2.442 179.722 177.584 -0.506 0.000 1.181 166 A CA 2.007 53.900 52.037 -0.241 0.000 0.620 166 A CB -0.627 18.284 19.000 -0.150 0.000 0.819 166 A HN 0.264 nan 8.150 nan 0.000 0.442 167 A N -0.273 122.145 122.820 -0.671 0.000 1.940 167 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 167 A C 1.921 179.273 177.584 -0.387 0.000 1.176 167 A CA 1.694 53.243 52.037 -0.813 0.000 0.631 167 A CB -0.456 18.107 19.000 -0.728 0.000 0.814 167 A HN 0.508 nan 8.150 nan 0.000 0.446 168 E N -0.457 119.597 120.200 -0.243 0.000 2.085 168 E HA -0.160 4.190 4.350 -0.001 0.000 0.194 168 E C 2.181 178.748 176.600 -0.054 0.000 0.994 168 E CA 1.285 57.623 56.400 -0.103 0.000 0.801 168 E CB -0.677 28.985 29.700 -0.062 0.000 0.743 168 E HN 0.597 nan 8.360 nan 0.000 0.453 169 G N 1.194 109.918 108.800 -0.126 0.000 2.404 169 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.215 169 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.215 169 G C 1.768 176.507 174.900 -0.268 0.000 1.174 169 G CA 0.335 45.398 45.100 -0.062 0.000 0.780 169 G HN 0.134 nan 8.290 nan 0.000 0.537 170 L N -0.988 119.865 121.223 -0.617 0.000 2.083 170 L HA -0.080 4.259 4.340 -0.001 0.000 0.209 170 L C 2.567 179.380 176.870 -0.095 0.000 1.083 170 L CA 1.010 55.525 54.840 -0.542 0.000 0.752 170 L CB -0.398 41.341 42.059 -0.534 0.000 0.899 170 L HN 0.248 nan 8.230 nan 0.000 0.433 171 Y N -0.055 120.138 120.300 -0.179 0.000 2.224 171 Y HA -0.228 4.322 4.550 -0.000 0.000 0.289 171 Y C 2.376 178.274 175.900 -0.005 0.000 1.146 171 Y CA 1.400 59.455 58.100 -0.076 0.000 1.182 171 Y CB -0.240 38.170 38.460 -0.084 0.000 0.983 171 Y HN -0.148 nan 8.280 nan 0.000 0.524 172 V N -0.392 119.564 119.914 0.070 0.000 2.295 172 V HA -0.347 3.773 4.120 -0.001 0.000 0.246 172 V C 2.208 178.338 176.094 0.061 0.000 1.049 172 V CA 2.441 64.768 62.300 0.045 0.000 1.024 172 V CB -0.884 31.014 31.823 0.125 0.000 0.648 172 V HN 0.476 nan 8.190 nan 0.000 0.447 173 H N -0.414 118.687 119.070 0.053 0.000 2.293 173 H HA -0.151 4.405 4.556 -0.000 0.000 0.300 173 H C 1.923 177.258 175.328 0.012 0.000 1.082 173 H CA 2.023 58.135 56.048 0.106 0.000 1.308 173 H CB -0.144 29.792 29.762 0.291 0.000 1.375 173 H HN 0.255 nan 8.280 nan 0.000 0.495 174 L N 0.242 121.482 121.223 0.029 0.000 2.141 174 L HA -0.129 4.211 4.340 -0.001 0.000 0.209 174 L C 2.336 179.107 176.870 -0.165 0.000 1.094 174 L CA 1.219 56.016 54.840 -0.071 0.000 0.763 174 L CB -0.471 41.574 42.059 -0.024 0.000 0.908 174 L HN 0.336 nan 8.230 nan 0.000 0.437 175 Q N -0.077 119.567 119.800 -0.261 0.000 2.291 175 Q HA -0.161 4.179 4.340 -0.001 0.000 0.205 175 Q C 1.586 177.490 176.000 -0.161 0.000 0.970 175 Q CA 0.984 56.621 55.803 -0.277 0.000 0.876 175 Q CB -0.036 28.471 28.738 -0.386 0.000 0.935 175 Q HN 0.612 nan 8.270 nan 0.000 0.455 176 E N -0.908 119.209 120.200 -0.138 0.000 2.489 176 E HA 0.133 4.483 4.350 -0.001 0.000 0.193 176 E C 0.616 177.144 176.600 -0.121 0.000 1.057 176 E CA 0.293 56.626 56.400 -0.112 0.000 0.866 176 E CB 0.285 29.924 29.700 -0.101 0.000 0.916 176 E HN 0.419 nan 8.360 nan 0.000 0.500 177 G N 2.070 110.795 108.800 -0.125 0.000 2.136 177 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.242 177 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.242 177 G C -0.074 174.758 174.900 -0.113 0.000 0.989 177 G CA 0.105 45.148 45.100 -0.095 0.000 0.682 177 G HN 0.160 nan 8.290 nan 0.000 0.522 178 K N 1.312 121.579 120.400 -0.222 0.000 2.138 178 K HA 0.555 4.875 4.320 -0.001 0.000 0.263 178 K C -2.277 174.248 176.600 -0.125 0.000 0.965 178 K CA -2.072 54.030 56.287 -0.309 0.000 0.868 178 K CB 2.303 34.310 32.500 -0.823 0.000 1.083 178 K HN 0.071 nan 8.250 nan 0.000 0.443 179 P HA 0.013 nan 4.420 nan 0.000 0.274 179 P C -0.176 177.319 177.300 0.326 0.000 1.231 179 P CA -0.118 63.084 63.100 0.170 0.000 0.790 179 P CB 1.315 33.097 31.700 0.136 0.000 0.951 180 A N 3.937 126.902 122.820 0.243 0.000 2.019 180 A HA -0.208 4.111 4.320 -0.001 0.000 0.219 180 A C 2.132 179.826 177.584 0.183 0.000 1.164 180 A CA 1.471 53.633 52.037 0.209 0.000 0.644 180 A CB -1.023 18.055 19.000 0.130 0.000 0.805 180 A HN 0.687 nan 8.150 nan 0.000 0.449 181 R N 0.025 120.620 120.500 0.158 0.000 2.189 181 R HA -0.092 4.248 4.340 -0.001 0.000 0.223 181 R C 1.356 177.729 176.300 0.121 0.000 1.092 181 R CA 1.867 58.037 56.100 0.117 0.000 0.989 181 R CB -1.068 29.281 30.300 0.081 0.000 0.876 181 R HN 0.470 nan 8.270 nan 0.000 0.457 182 T N -2.690 111.976 114.554 0.186 0.000 3.086 182 T HA 0.125 4.475 4.350 -0.001 0.000 0.250 182 T C 0.234 174.970 174.700 0.059 0.000 1.074 182 T CA -0.650 61.544 62.100 0.157 0.000 0.988 182 T CB -0.197 68.801 68.868 0.216 0.000 0.988 182 T HN 0.177 nan 8.240 nan 0.000 0.530 183 F N 3.849 123.675 119.950 -0.207 0.000 2.484 183 F HA 0.404 4.931 4.527 -0.001 0.000 0.360 183 F C -2.174 173.519 175.800 -0.177 0.000 1.101 183 F CA -2.475 55.261 58.000 -0.440 0.000 1.251 183 F CB 0.453 39.173 39.000 -0.467 0.000 1.132 183 F HN -0.031 nan 8.300 nan 0.000 0.570 184 P HA 0.078 nan 4.420 nan 0.000 0.266 184 P C -2.479 174.783 177.300 -0.063 0.000 1.195 184 P CA -0.678 62.253 63.100 -0.282 0.000 0.768 184 P CB -0.141 31.333 31.700 -0.377 0.000 0.838 185 P HA 0.155 nan 4.420 nan 0.000 0.274 185 P C -0.750 176.580 177.300 0.050 0.000 1.237 185 P CA -0.027 63.105 63.100 0.053 0.000 0.793 185 P CB 0.898 32.615 31.700 0.029 0.000 0.977 186 S N -1.276 114.469 115.700 0.075 0.000 2.595 186 S HA 0.120 4.590 4.470 -0.001 0.000 0.270 186 S C 0.805 175.441 174.600 0.061 0.000 1.145 186 S CA -0.681 57.557 58.200 0.063 0.000 0.825 186 S CB 1.361 64.613 63.200 0.085 0.000 1.107 186 S HN 0.513 nan 8.310 nan 0.000 0.461 187 E N 0.847 121.074 120.200 0.046 0.000 2.077 187 E HA -0.108 4.242 4.350 -0.001 0.000 0.193 187 E C 2.053 178.684 176.600 0.053 0.000 0.989 187 E CA 1.526 57.950 56.400 0.040 0.000 0.800 187 E CB -0.460 29.258 29.700 0.029 0.000 0.746 187 E HN 0.762 nan 8.360 nan 0.000 0.452 188 A N 0.463 123.317 122.820 0.058 0.000 1.902 188 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 188 A C 2.404 180.044 177.584 0.094 0.000 1.181 188 A CA 1.421 53.497 52.037 0.065 0.000 0.623 188 A CB -0.668 18.362 19.000 0.049 0.000 0.818 188 A HN 0.229 nan 8.150 nan 0.000 0.443 189 V N -0.134 119.837 119.914 0.096 0.000 2.407 189 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 189 V C 3.039 179.217 176.094 0.139 0.000 1.055 189 V CA 1.867 64.234 62.300 0.112 0.000 1.049 189 V CB -1.153 30.751 31.823 0.135 0.000 0.662 189 V HN 0.620 nan 8.190 nan 0.000 0.455 190 A N -0.042 122.837 122.820 0.098 0.000 1.902 190 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 190 A C 2.375 179.993 177.584 0.056 0.000 1.181 190 A CA 1.797 53.875 52.037 0.068 0.000 0.623 190 A CB -0.464 18.562 19.000 0.044 0.000 0.818 190 A HN 0.513 nan 8.150 nan 0.000 0.443 191 R N -2.056 118.484 120.500 0.066 0.000 2.092 191 R HA -0.076 4.263 4.340 -0.001 0.000 0.231 191 R C 2.013 178.339 176.300 0.043 0.000 1.119 191 R CA 1.490 57.617 56.100 0.044 0.000 0.970 191 R CB -0.470 29.860 30.300 0.051 0.000 0.864 191 R HN 0.605 nan 8.270 nan 0.000 0.440 192 F N 1.483 121.420 119.950 -0.021 0.000 2.102 192 F HA -0.123 4.404 4.527 -0.001 0.000 0.298 192 F C 1.813 177.596 175.800 -0.028 0.000 1.105 192 F CA 1.401 59.383 58.000 -0.030 0.000 1.239 192 F CB -0.148 38.824 39.000 -0.047 0.000 0.991 192 F HN -0.114 nan 8.300 nan 0.000 0.474 193 L N 0.220 121.426 121.223 -0.029 0.000 2.275 193 L HA -0.165 4.175 4.340 -0.001 0.000 0.215 193 L C 2.484 179.265 176.870 -0.148 0.000 1.119 193 L CA 1.194 55.972 54.840 -0.103 0.000 0.790 193 L CB -0.650 41.441 42.059 0.054 0.000 0.919 193 L HN 0.166 nan 8.230 nan 0.000 0.443 194 K N 0.631 120.963 120.400 -0.114 0.000 2.062 194 K HA -0.230 4.089 4.320 -0.001 0.000 0.205 194 K C 2.043 178.557 176.600 -0.144 0.000 1.051 194 K CA 1.526 57.754 56.287 -0.098 0.000 0.941 194 K CB 0.124 32.587 32.500 -0.062 0.000 0.719 194 K HN 0.278 nan 8.250 nan 0.000 0.440 195 E N -0.402 119.673 120.200 -0.208 0.000 2.112 195 E HA -0.053 4.297 4.350 -0.001 0.000 0.190 195 E C -0.393 176.029 176.600 -0.296 0.000 0.979 195 E CA 0.924 57.188 56.400 -0.226 0.000 0.814 195 E CB 0.421 29.987 29.700 -0.223 0.000 0.762 195 E HN 0.032 nan 8.360 nan 0.000 0.460 196 T N 3.116 117.376 114.554 -0.490 0.000 3.150 196 T HA 0.289 4.638 4.350 -0.001 0.000 0.383 196 T C -2.682 171.829 174.700 -0.314 0.000 1.313 196 T CA -1.388 60.433 62.100 -0.464 0.000 1.235 196 T CB 1.602 69.993 68.868 -0.795 0.000 1.088 196 T HN 0.016 nan 8.240 nan 0.000 0.556 197 P HA 0.184 nan 4.420 nan 0.000 0.256 197 P C 0.045 177.327 177.300 -0.031 0.000 1.688 197 P CA -0.296 62.755 63.100 -0.081 0.000 1.162 197 P CB -0.176 31.486 31.700 -0.064 0.000 1.870 198 L N 2.352 123.581 121.223 0.010 0.000 2.514 198 L HA -0.017 4.323 4.340 -0.001 0.000 0.280 198 L C 2.059 178.958 176.870 0.049 0.000 1.223 198 L CA -0.141 54.734 54.840 0.059 0.000 0.864 198 L CB 0.252 42.383 42.059 0.120 0.000 1.118 198 L HN 0.314 nan 8.230 nan 0.000 0.494 199 L N 1.579 122.833 121.223 0.051 0.000 2.083 199 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 199 L C 2.395 179.304 176.870 0.064 0.000 1.083 199 L CA 1.782 56.649 54.840 0.044 0.000 0.752 199 L CB -0.786 41.301 42.059 0.047 0.000 0.899 199 L HN 0.899 nan 8.230 nan 0.000 0.433 200 T N -3.367 111.238 114.554 0.084 0.000 3.148 200 T HA 0.183 4.533 4.350 -0.001 0.000 0.253 200 T C 1.516 176.274 174.700 0.097 0.000 1.134 200 T CA 0.550 62.709 62.100 0.098 0.000 1.051 200 T CB 0.170 69.105 68.868 0.112 0.000 0.959 200 T HN 0.287 nan 8.240 nan 0.000 0.525 201 A N 1.173 124.042 122.820 0.082 0.000 2.147 201 A HA 0.282 4.602 4.320 -0.001 0.000 0.211 201 A C 1.021 178.636 177.584 0.052 0.000 1.160 201 A CA -0.195 51.888 52.037 0.076 0.000 0.781 201 A CB -0.144 18.900 19.000 0.072 0.000 0.842 201 A HN 0.523 nan 8.150 nan 0.000 0.475 202 K N 1.199 121.625 120.400 0.044 0.000 2.401 202 K HA 0.281 4.600 4.320 -0.001 0.000 0.278 202 K C -2.663 173.957 176.600 0.033 0.000 1.018 202 K CA -1.621 54.683 56.287 0.029 0.000 0.981 202 K CB 0.105 32.619 32.500 0.024 0.000 0.933 202 K HN 0.076 nan 8.250 nan 0.000 0.477 203 P HA 0.004 nan 4.420 nan 0.000 0.269 203 P C -0.902 176.411 177.300 0.022 0.000 1.209 203 P CA -0.160 62.949 63.100 0.015 0.000 0.776 203 P CB 0.647 32.352 31.700 0.008 0.000 0.876 204 V N 4.032 123.945 119.914 -0.002 0.000 2.735 204 V HA 0.442 4.561 4.120 -0.001 0.000 0.310 204 V C 0.030 176.098 176.094 -0.043 0.000 1.061 204 V CA -0.503 61.797 62.300 -0.000 0.000 0.913 204 V CB 1.927 33.729 31.823 -0.036 0.000 1.005 204 V HN 0.345 nan 8.190 nan 0.000 0.428 205 I N 3.896 124.494 120.570 0.047 0.000 2.406 205 I HA 0.436 4.605 4.170 -0.001 0.000 0.290 205 I C -1.009 175.226 176.117 0.196 0.000 0.999 205 I CA -0.459 60.883 61.300 0.071 0.000 1.124 205 I CB 1.588 39.668 38.000 0.132 0.000 1.289 205 I HN 0.516 nan 8.210 nan 0.000 0.441 206 Y N 5.270 125.623 120.300 0.089 0.000 2.350 206 Y HA 0.390 4.939 4.550 -0.000 0.000 0.340 206 Y C 0.013 175.951 175.900 0.063 0.000 1.006 206 Y CA -1.142 57.000 58.100 0.069 0.000 1.166 206 Y CB 1.693 40.166 38.460 0.023 0.000 1.168 206 Y HN 0.201 nan 8.280 nan 0.000 0.502 207 V N 4.653 124.705 119.914 0.230 0.000 2.304 207 V HA 0.302 4.422 4.120 -0.001 0.000 0.269 207 V C 0.191 176.343 176.094 0.097 0.000 1.036 207 V CA -0.778 61.607 62.300 0.141 0.000 0.840 207 V CB 0.690 32.586 31.823 0.121 0.000 1.036 207 V HN 0.847 nan 8.190 nan 0.000 0.466 208 A N 4.402 127.273 122.820 0.085 0.000 2.376 208 A HA 0.371 4.691 4.320 -0.001 0.000 0.298 208 A C 0.347 177.983 177.584 0.086 0.000 1.271 208 A CA -0.156 51.917 52.037 0.060 0.000 0.926 208 A CB -0.302 18.732 19.000 0.057 0.000 1.141 208 A HN 0.736 nan 8.150 nan 0.000 0.539 209 N N 2.282 121.047 118.700 0.109 0.000 2.411 209 N HA 0.411 5.151 4.740 -0.001 0.000 0.259 209 N C -0.316 175.401 175.510 0.345 0.000 1.103 209 N CA 0.029 53.199 53.050 0.200 0.000 0.954 209 N CB 0.962 39.596 38.487 0.245 0.000 1.085 209 N HN 0.611 nan 8.380 nan 0.000 0.485 210 V N 0.508 120.585 119.914 0.272 0.000 3.126 210 V HA 0.926 5.046 4.120 -0.001 0.000 0.314 210 V C 0.190 176.289 176.094 0.009 0.000 1.138 210 V CA -1.376 61.093 62.300 0.282 0.000 1.034 210 V CB 0.913 32.821 31.823 0.142 0.000 1.075 210 V HN 0.654 nan 8.190 nan 0.000 0.442 211 A N 0.827 123.614 122.820 -0.054 0.000 2.407 211 A HA 0.392 4.711 4.320 -0.001 0.000 0.248 211 A C 1.214 178.763 177.584 -0.057 0.000 1.082 211 A CA 0.353 52.266 52.037 -0.207 0.000 0.785 211 A CB -0.055 18.878 19.000 -0.112 0.000 1.020 211 A HN 1.191 nan 8.150 nan 0.000 0.489 212 E N 1.647 121.818 120.200 -0.048 0.000 2.171 212 E HA -0.285 4.065 4.350 -0.001 0.000 0.197 212 E C 1.137 177.851 176.600 0.190 0.000 0.997 212 E CA 1.452 57.900 56.400 0.079 0.000 0.810 212 E CB -0.304 29.431 29.700 0.059 0.000 0.738 212 E HN 0.847 nan 8.360 nan 0.000 0.467 213 E N 1.356 121.643 120.200 0.145 0.000 2.265 213 E HA -0.203 4.147 4.350 -0.001 0.000 0.196 213 E C 0.796 177.425 176.600 0.049 0.000 0.996 213 E CA 1.107 57.591 56.400 0.139 0.000 0.832 213 E CB -0.178 29.580 29.700 0.096 0.000 0.756 213 E HN 0.265 nan 8.360 nan 0.000 0.491 214 D N 0.782 121.209 120.400 0.044 0.000 2.340 214 D HA 0.168 4.808 4.640 -0.001 0.000 0.220 214 D C 0.516 176.822 176.300 0.011 0.000 1.039 214 D CA 0.091 54.108 54.000 0.028 0.000 0.866 214 D CB 0.141 40.970 40.800 0.048 0.000 0.913 214 D HN 0.185 nan 8.370 nan 0.000 0.523 215 L N 1.516 122.741 121.223 0.004 0.000 2.436 215 L HA 0.179 4.519 4.340 -0.001 0.000 0.265 215 L C -0.786 176.043 176.870 -0.068 0.000 1.168 215 L CA -1.161 53.671 54.840 -0.014 0.000 0.815 215 L CB 0.732 42.798 42.059 0.011 0.000 1.109 215 L HN -0.132 nan 8.230 nan 0.000 0.462 216 P HA 0.013 nan 4.420 nan 0.000 0.239 216 P C 0.067 177.366 177.300 -0.002 0.000 1.188 216 P CA 0.682 63.769 63.100 -0.022 0.000 0.794 216 P CB 0.549 32.233 31.700 -0.027 0.000 0.937 217 D N -0.590 119.808 120.400 -0.003 0.000 2.469 217 D HA 0.168 4.808 4.640 -0.001 0.000 0.215 217 D C 1.116 177.426 176.300 0.018 0.000 1.154 217 D CA 0.274 54.280 54.000 0.010 0.000 0.832 217 D CB 0.242 41.046 40.800 0.007 0.000 1.008 217 D HN 0.135 nan 8.370 nan 0.000 0.506 218 G N 2.727 111.537 108.800 0.018 0.000 2.249 218 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.273 218 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.273 218 G C 0.375 175.287 174.900 0.019 0.000 1.036 218 G CA 0.142 45.257 45.100 0.026 0.000 0.824 218 G HN 0.365 nan 8.290 nan 0.000 0.504 219 R N -0.108 120.398 120.500 0.010 0.000 2.502 219 R HA 0.391 4.731 4.340 -0.001 0.000 0.292 219 R C 1.695 178.001 176.300 0.009 0.000 0.998 219 R CA 1.333 57.438 56.100 0.007 0.000 1.056 219 R CB -0.332 29.968 30.300 -0.001 0.000 0.939 219 R HN 1.470 nan 8.270 nan 0.000 0.411 220 G N 3.071 111.877 108.800 0.010 0.000 2.184 220 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.264 220 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.264 220 G C -0.032 174.877 174.900 0.014 0.000 0.975 220 G CA 0.339 45.445 45.100 0.011 0.000 0.642 220 G HN 0.710 nan 8.290 nan 0.000 0.536 221 N N 1.278 119.989 118.700 0.019 0.000 2.406 221 N HA 0.290 5.030 4.740 -0.001 0.000 0.251 221 N C -0.308 175.212 175.510 0.017 0.000 1.069 221 N CA -1.430 51.634 53.050 0.024 0.000 0.947 221 N CB 1.674 40.182 38.487 0.035 0.000 1.111 221 N HN 0.140 nan 8.380 nan 0.000 0.497 222 P HA -0.186 nan 4.420 nan 0.000 0.218 222 P C 0.783 178.082 177.300 -0.001 0.000 1.148 222 P CA 1.372 64.475 63.100 0.005 0.000 0.822 222 P CB 0.557 32.258 31.700 0.002 0.000 0.784 223 Q N -0.419 119.379 119.800 -0.004 0.000 2.079 223 Q HA -0.062 4.277 4.340 -0.001 0.000 0.200 223 Q C 2.384 178.376 176.000 -0.013 0.000 0.974 223 Q CA 1.166 56.958 55.803 -0.019 0.000 0.840 223 Q CB -0.521 28.199 28.738 -0.030 0.000 0.898 223 Q HN 0.127 nan 8.270 nan 0.000 0.430 224 V N 1.320 121.238 119.914 0.007 0.000 2.358 224 V HA -0.213 3.907 4.120 -0.001 0.000 0.246 224 V C 2.126 178.233 176.094 0.021 0.000 1.047 224 V CA 1.556 63.867 62.300 0.018 0.000 1.035 224 V CB -0.437 31.405 31.823 0.032 0.000 0.658 224 V HN 0.294 nan 8.190 nan 0.000 0.452 225 E N 0.445 120.656 120.200 0.017 0.000 2.110 225 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 225 E C 2.363 178.974 176.600 0.018 0.000 0.988 225 E CA 1.553 57.965 56.400 0.019 0.000 0.804 225 E CB -0.483 29.225 29.700 0.014 0.000 0.745 225 E HN 0.577 nan 8.360 nan 0.000 0.458 226 A N 0.846 123.669 122.820 0.006 0.000 1.898 226 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 226 A C 2.613 180.201 177.584 0.007 0.000 1.181 226 A CA 1.295 53.332 52.037 -0.000 0.000 0.620 226 A CB -0.609 18.379 19.000 -0.019 0.000 0.819 226 A HN 0.136 nan 8.150 nan 0.000 0.442 227 V N 0.148 120.062 119.914 -0.001 0.000 2.343 227 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 227 V C 2.647 178.816 176.094 0.124 0.000 1.051 227 V CA 2.269 64.580 62.300 0.018 0.000 1.036 227 V CB -0.812 31.003 31.823 -0.012 0.000 0.654 227 V HN 0.534 nan 8.190 nan 0.000 0.451 228 R N -0.324 120.230 120.500 0.090 0.000 2.081 228 R HA -0.177 4.162 4.340 -0.001 0.000 0.235 228 R C 2.504 178.854 176.300 0.083 0.000 1.131 228 R CA 1.723 57.877 56.100 0.091 0.000 0.960 228 R CB -0.414 29.921 30.300 0.058 0.000 0.856 228 R HN 0.460 nan 8.270 nan 0.000 0.436 229 R N 1.399 121.938 120.500 0.064 0.000 2.073 229 R HA -0.192 4.148 4.340 -0.001 0.000 0.234 229 R C 2.126 178.471 176.300 0.074 0.000 1.134 229 R CA 1.909 58.041 56.100 0.053 0.000 0.952 229 R CB -0.070 30.251 30.300 0.034 0.000 0.850 229 R HN -0.104 nan 8.270 nan 0.000 0.433 230 K N 0.385 120.846 120.400 0.102 0.000 2.097 230 K HA -0.005 4.315 4.320 -0.001 0.000 0.205 230 K C 1.798 178.536 176.600 0.229 0.000 1.050 230 K CA 1.568 57.945 56.287 0.151 0.000 0.938 230 K CB -0.339 32.248 32.500 0.145 0.000 0.718 230 K HN 0.304 nan 8.250 nan 0.000 0.442 231 A N 0.581 123.559 122.820 0.262 0.000 1.940 231 A HA -0.137 4.183 4.320 -0.001 0.000 0.219 231 A C 2.084 179.677 177.584 0.014 0.000 1.176 231 A CA 1.628 53.716 52.037 0.084 0.000 0.631 231 A CB -0.715 18.325 19.000 0.066 0.000 0.814 231 A HN 0.360 nan 8.150 nan 0.000 0.446 232 L N 0.065 121.315 121.223 0.044 0.000 2.083 232 L HA -0.130 4.209 4.340 -0.001 0.000 0.209 232 L C 2.184 179.072 176.870 0.029 0.000 1.083 232 L CA 2.208 57.064 54.840 0.026 0.000 0.752 232 L CB -0.523 41.554 42.059 0.029 0.000 0.899 232 L HN 0.522 nan 8.230 nan 0.000 0.433 233 E N -0.925 119.303 120.200 0.046 0.000 2.152 233 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 233 E C 1.410 178.040 176.600 0.050 0.000 0.983 233 E CA 0.874 57.301 56.400 0.046 0.000 0.818 233 E CB 0.042 29.771 29.700 0.050 0.000 0.758 233 E HN 0.462 nan 8.360 nan 0.000 0.467 234 E N -0.362 119.868 120.200 0.051 0.000 2.479 234 E HA 0.058 4.408 4.350 -0.001 0.000 0.193 234 E C 0.922 177.520 176.600 -0.002 0.000 1.049 234 E CA 0.417 56.842 56.400 0.041 0.000 0.870 234 E CB 0.818 30.561 29.700 0.072 0.000 0.944 234 E HN 0.332 nan 8.360 nan 0.000 0.492 235 G N 1.467 110.259 108.800 -0.015 0.000 2.198 235 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.260 235 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.260 235 G C 0.375 175.228 174.900 -0.079 0.000 1.025 235 G CA 0.444 45.531 45.100 -0.022 0.000 0.769 235 G HN 0.497 nan 8.290 nan 0.000 0.507 236 A N -0.886 121.827 122.820 -0.178 0.000 2.281 236 A HA 0.855 5.174 4.320 -0.001 0.000 0.329 236 A C 0.224 177.695 177.584 -0.189 0.000 1.122 236 A CA -0.538 51.325 52.037 -0.290 0.000 0.850 236 A CB 1.109 19.637 19.000 -0.787 0.000 1.207 236 A HN 0.221 nan 8.150 nan 0.000 0.495 237 E N -0.289 119.833 120.200 -0.130 0.000 2.232 237 E HA 0.580 4.930 4.350 -0.001 0.000 0.265 237 E C -1.061 175.533 176.600 -0.009 0.000 1.001 237 E CA -0.574 55.801 56.400 -0.041 0.000 0.870 237 E CB 1.853 31.553 29.700 0.000 0.000 1.175 237 E HN 0.293 nan 8.360 nan 0.000 0.407 238 V N 1.289 121.229 119.914 0.043 0.000 2.604 238 V HA 0.416 4.536 4.120 -0.001 0.000 0.305 238 V C -0.436 175.707 176.094 0.081 0.000 1.043 238 V CA -0.788 61.569 62.300 0.093 0.000 0.888 238 V CB 2.038 33.923 31.823 0.104 0.000 0.995 238 V HN 0.347 nan 8.190 nan 0.000 0.429 239 V N 4.886 124.857 119.914 0.094 0.000 2.588 239 V HA 0.505 4.625 4.120 -0.001 0.000 0.304 239 V C -0.423 175.712 176.094 0.068 0.000 1.042 239 V CA -0.698 61.646 62.300 0.072 0.000 0.877 239 V CB 2.148 34.013 31.823 0.071 0.000 0.996 239 V HN 0.587 nan 8.190 nan 0.000 0.425 240 V N 5.615 125.560 119.914 0.052 0.000 2.394 240 V HA 0.727 4.847 4.120 -0.001 0.000 0.282 240 V C -0.048 176.069 176.094 0.038 0.000 1.031 240 V CA -0.362 61.968 62.300 0.050 0.000 0.881 240 V CB 1.552 33.401 31.823 0.044 0.000 0.982 240 V HN 0.802 nan 8.190 nan 0.000 0.451 241 V N 1.802 121.741 119.914 0.041 0.000 3.159 241 V HA 0.823 4.943 4.120 -0.001 0.000 0.308 241 V C -0.438 175.675 176.094 0.032 0.000 1.190 241 V CA -0.637 61.678 62.300 0.024 0.000 1.037 241 V CB 2.328 34.150 31.823 -0.001 0.000 1.060 241 V HN 0.744 nan 8.190 nan 0.000 0.437 242 S N 1.491 117.196 115.700 0.008 0.000 2.520 242 S HA 0.692 5.162 4.470 -0.001 0.000 0.324 242 S C 1.090 175.672 174.600 -0.030 0.000 1.069 242 S CA 0.107 58.296 58.200 -0.018 0.000 1.121 242 S CB 0.878 64.053 63.200 -0.041 0.000 0.971 242 S HN 1.789 nan 8.310 nan 0.000 0.463 243 A N 5.512 128.326 122.820 -0.010 0.000 1.908 243 A HA -0.114 4.206 4.320 -0.001 0.000 0.218 243 A C 2.125 179.686 177.584 -0.038 0.000 1.181 243 A CA 1.708 53.734 52.037 -0.018 0.000 0.627 243 A CB -0.584 18.433 19.000 0.028 0.000 0.818 243 A HN 0.879 nan 8.150 nan 0.000 0.445 244 R N -0.860 119.604 120.500 -0.061 0.000 2.081 244 R HA -0.141 4.199 4.340 -0.001 0.000 0.235 244 R C 2.059 178.318 176.300 -0.070 0.000 1.131 244 R CA 1.748 57.805 56.100 -0.072 0.000 0.960 244 R CB -0.431 29.799 30.300 -0.118 0.000 0.856 244 R HN 0.436 nan 8.270 nan 0.000 0.436 245 L N 1.400 122.579 121.223 -0.074 0.000 2.046 245 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 245 L C 1.890 178.731 176.870 -0.048 0.000 1.077 245 L CA 1.865 56.668 54.840 -0.061 0.000 0.747 245 L CB -0.394 41.640 42.059 -0.042 0.000 0.896 245 L HN 0.174 nan 8.230 nan 0.000 0.432 246 E N 0.088 120.260 120.200 -0.047 0.000 2.110 246 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 246 E C 2.229 178.798 176.600 -0.051 0.000 0.988 246 E CA 1.327 57.696 56.400 -0.051 0.000 0.804 246 E CB -0.568 29.089 29.700 -0.071 0.000 0.745 246 E HN 0.637 nan 8.360 nan 0.000 0.458 247 A N 1.367 124.158 122.820 -0.047 0.000 1.933 247 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 247 A C 2.061 179.625 177.584 -0.033 0.000 1.175 247 A CA 1.574 53.589 52.037 -0.037 0.000 0.628 247 A CB -0.416 18.568 19.000 -0.026 0.000 0.814 247 A HN 0.223 nan 8.150 nan 0.000 0.444 248 E N -0.119 120.058 120.200 -0.040 0.000 2.047 248 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 248 E C 1.927 178.505 176.600 -0.036 0.000 0.987 248 E CA 1.163 57.539 56.400 -0.040 0.000 0.799 248 E CB -0.299 29.370 29.700 -0.053 0.000 0.752 248 E HN 0.612 nan 8.360 nan 0.000 0.449 249 L N 0.622 121.823 121.223 -0.036 0.000 2.083 249 L HA -0.150 4.190 4.340 -0.001 0.000 0.209 249 L C 2.503 179.358 176.870 -0.025 0.000 1.083 249 L CA 0.881 55.703 54.840 -0.030 0.000 0.752 249 L CB -0.413 41.630 42.059 -0.026 0.000 0.899 249 L HN 0.144 nan 8.230 nan 0.000 0.433 250 A N -0.592 122.211 122.820 -0.027 0.000 2.121 250 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 250 A C 2.231 179.806 177.584 -0.014 0.000 1.154 250 A CA 1.439 53.463 52.037 -0.022 0.000 0.679 250 A CB -0.408 18.576 19.000 -0.027 0.000 0.795 250 A HN 0.475 nan 8.150 nan 0.000 0.458 251 E N -0.719 119.472 120.200 -0.016 0.000 2.358 251 E HA 0.056 4.406 4.350 -0.001 0.000 0.195 251 E C 0.180 176.774 176.600 -0.011 0.000 1.010 251 E CA -0.111 56.282 56.400 -0.012 0.000 0.856 251 E CB -0.031 29.660 29.700 -0.014 0.000 0.795 251 E HN 0.634 nan 8.360 nan 0.000 0.504 252 L N 0.817 122.032 121.223 -0.014 0.000 2.431 252 L HA 0.212 4.551 4.340 -0.001 0.000 0.260 252 L C 0.715 177.579 176.870 -0.009 0.000 1.098 252 L CA -0.852 53.980 54.840 -0.013 0.000 0.800 252 L CB 1.250 43.300 42.059 -0.016 0.000 1.210 252 L HN 0.002 nan 8.230 nan 0.000 0.465 253 S N -0.395 115.300 115.700 -0.009 0.000 2.584 253 S HA 0.104 4.573 4.470 -0.001 0.000 0.270 253 S C 1.143 175.738 174.600 -0.009 0.000 1.346 253 S CA -0.215 57.981 58.200 -0.007 0.000 1.018 253 S CB 1.212 64.407 63.200 -0.007 0.000 0.899 253 S HN 0.789 nan 8.310 nan 0.000 0.542 254 G N 0.251 109.047 108.800 -0.007 0.000 2.422 254 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.218 254 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.218 254 G C 1.206 176.098 174.900 -0.014 0.000 1.146 254 G CA 0.862 45.957 45.100 -0.008 0.000 0.769 254 G HN 0.904 nan 8.290 nan 0.000 0.547 255 E N 0.262 120.451 120.200 -0.018 0.000 2.031 255 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 255 E C 2.267 178.856 176.600 -0.019 0.000 0.994 255 E CA 1.295 57.681 56.400 -0.024 0.000 0.800 255 E CB -0.215 29.469 29.700 -0.026 0.000 0.752 255 E HN 0.593 nan 8.360 nan 0.000 0.447 256 E N -0.174 120.016 120.200 -0.016 0.000 2.077 256 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 256 E C 1.925 178.517 176.600 -0.013 0.000 0.989 256 E CA 1.007 57.398 56.400 -0.014 0.000 0.800 256 E CB -0.145 29.546 29.700 -0.014 0.000 0.746 256 E HN 0.342 nan 8.360 nan 0.000 0.452 257 A N 1.410 124.222 122.820 -0.013 0.000 1.908 257 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 257 A C 2.183 179.764 177.584 -0.006 0.000 1.181 257 A CA 1.754 53.784 52.037 -0.011 0.000 0.627 257 A CB -0.605 18.387 19.000 -0.012 0.000 0.818 257 A HN 0.255 nan 8.150 nan 0.000 0.445 258 R N 0.460 120.956 120.500 -0.007 0.000 2.081 258 R HA -0.206 4.134 4.340 -0.001 0.000 0.235 258 R C 2.168 178.468 176.300 -0.000 0.000 1.131 258 R CA 1.914 58.011 56.100 -0.005 0.000 0.960 258 R CB -0.372 29.921 30.300 -0.012 0.000 0.856 258 R HN 0.802 nan 8.270 nan 0.000 0.436 259 E N 0.408 120.605 120.200 -0.005 0.000 2.077 259 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 259 E C 2.038 178.643 176.600 0.008 0.000 0.989 259 E CA 1.333 57.732 56.400 -0.002 0.000 0.800 259 E CB -0.478 29.217 29.700 -0.007 0.000 0.746 259 E HN 0.385 nan 8.360 nan 0.000 0.452 260 L N 0.471 121.696 121.223 0.004 0.000 2.156 260 L HA -0.067 4.272 4.340 -0.001 0.000 0.208 260 L C 2.637 179.529 176.870 0.037 0.000 1.095 260 L CA 0.565 55.409 54.840 0.007 0.000 0.770 260 L CB -0.278 41.772 42.059 -0.014 0.000 0.914 260 L HN 0.226 nan 8.230 nan 0.000 0.439 261 L N -0.371 120.876 121.223 0.040 0.000 2.027 261 L HA -0.169 4.170 4.340 -0.001 0.000 0.206 261 L C 2.820 179.741 176.870 0.085 0.000 1.074 261 L CA 1.195 56.081 54.840 0.077 0.000 0.745 261 L CB -0.427 41.660 42.059 0.046 0.000 0.898 261 L HN 0.244 nan 8.230 nan 0.000 0.433 262 A N -0.316 122.532 122.820 0.046 0.000 1.972 262 A HA -0.164 4.155 4.320 -0.001 0.000 0.219 262 A C 2.414 180.026 177.584 0.047 0.000 1.169 262 A CA 1.535 53.592 52.037 0.033 0.000 0.635 262 A CB -0.592 18.417 19.000 0.015 0.000 0.810 262 A HN 0.453 nan 8.150 nan 0.000 0.446 263 A N -2.107 120.750 122.820 0.061 0.000 2.019 263 A HA -0.110 4.210 4.320 -0.001 0.000 0.219 263 A C 1.907 179.575 177.584 0.140 0.000 1.164 263 A CA 1.316 53.396 52.037 0.071 0.000 0.644 263 A CB -0.594 18.438 19.000 0.052 0.000 0.805 263 A HN 0.717 nan 8.150 nan 0.000 0.449 264 Y N -0.280 120.012 120.300 -0.015 0.000 2.470 264 Y HA 0.326 4.875 4.550 -0.000 0.000 0.284 264 Y C 1.451 177.343 175.900 -0.013 0.000 1.188 264 Y CA 0.125 58.216 58.100 -0.015 0.000 1.269 264 Y CB -0.051 38.398 38.460 -0.019 0.000 1.094 264 Y HN 0.457 nan 8.280 nan 0.000 0.518 265 G N 1.408 110.203 108.800 -0.009 0.000 2.153 265 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.252 265 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.252 265 G C -0.356 174.489 174.900 -0.091 0.000 0.994 265 G CA 0.418 45.471 45.100 -0.080 0.000 0.698 265 G HN 0.336 nan 8.290 nan 0.000 0.521 266 L N -0.492 120.705 121.223 -0.043 0.000 2.329 266 L HA 0.503 4.843 4.340 -0.001 0.000 0.279 266 L C 1.023 177.893 176.870 -0.001 0.000 1.014 266 L CA -1.127 53.696 54.840 -0.027 0.000 0.814 266 L CB 1.694 43.757 42.059 0.006 0.000 1.257 266 L HN -0.063 nan 8.230 nan 0.000 0.424 267 Q N 0.985 120.782 119.800 -0.006 0.000 2.352 267 Q HA 0.200 4.540 4.340 -0.001 0.000 0.212 267 Q C -0.171 175.830 176.000 0.001 0.000 0.888 267 Q CA 0.374 56.176 55.803 -0.001 0.000 0.934 267 Q CB 1.215 29.951 28.738 -0.004 0.000 1.093 267 Q HN 0.631 nan 8.270 nan 0.000 0.523 268 E N 0.535 120.737 120.200 0.002 0.000 2.321 268 E HA 0.298 4.648 4.350 -0.001 0.000 0.278 268 E C -0.892 175.709 176.600 0.001 0.000 0.902 268 E CA -0.322 56.079 56.400 0.001 0.000 0.758 268 E CB 1.581 31.281 29.700 -0.000 0.000 1.213 268 E HN 0.049 nan 8.360 nan 0.000 0.426 269 S N 1.893 117.591 115.700 -0.003 0.000 2.589 269 S HA 0.201 4.670 4.470 -0.001 0.000 0.265 269 S C 1.208 175.800 174.600 -0.014 0.000 1.342 269 S CA 0.040 58.235 58.200 -0.008 0.000 1.005 269 S CB 1.258 64.447 63.200 -0.017 0.000 0.909 269 S HN 0.734 nan 8.310 nan 0.000 0.555 270 G N 0.136 108.924 108.800 -0.021 0.000 2.422 270 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.218 270 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.218 270 G C 1.232 176.099 174.900 -0.056 0.000 1.140 270 G CA 0.402 45.485 45.100 -0.029 0.000 0.775 270 G HN 0.647 nan 8.290 nan 0.000 0.545 271 L N -0.162 121.015 121.223 -0.076 0.000 2.093 271 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 271 L C 3.149 179.982 176.870 -0.062 0.000 1.085 271 L CA 0.831 55.602 54.840 -0.114 0.000 0.755 271 L CB -0.314 41.673 42.059 -0.119 0.000 0.904 271 L HN 0.193 nan 8.230 nan 0.000 0.435 272 Q N 0.124 119.905 119.800 -0.032 0.000 2.079 272 Q HA -0.157 4.183 4.340 -0.001 0.000 0.200 272 Q C 2.304 178.307 176.000 0.005 0.000 0.974 272 Q CA 1.380 57.176 55.803 -0.011 0.000 0.840 272 Q CB -0.193 28.537 28.738 -0.014 0.000 0.898 272 Q HN 0.470 nan 8.270 nan 0.000 0.430 273 R N 0.192 120.694 120.500 0.003 0.000 2.091 273 R HA -0.142 4.198 4.340 -0.001 0.000 0.238 273 R C 2.313 178.640 176.300 0.045 0.000 1.136 273 R CA 1.031 57.143 56.100 0.020 0.000 0.959 273 R CB -0.407 29.902 30.300 0.015 0.000 0.856 273 R HN 0.118 nan 8.270 nan 0.000 0.437 274 L N 0.592 121.831 121.223 0.027 0.000 2.056 274 L HA -0.046 4.293 4.340 -0.001 0.000 0.207 274 L C 2.202 179.206 176.870 0.224 0.000 1.078 274 L CA 1.864 56.742 54.840 0.064 0.000 0.749 274 L CB -0.621 41.380 42.059 -0.096 0.000 0.901 274 L HN 0.130 nan 8.230 nan 0.000 0.433 275 A N -0.334 122.606 122.820 0.199 0.000 1.902 275 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 275 A C 2.417 180.114 177.584 0.188 0.000 1.181 275 A CA 1.805 54.029 52.037 0.311 0.000 0.623 275 A CB -0.526 18.582 19.000 0.181 0.000 0.818 275 A HN 0.508 nan 8.150 nan 0.000 0.443 276 R N -0.635 119.924 120.500 0.099 0.000 2.092 276 R HA -0.030 4.310 4.340 -0.001 0.000 0.231 276 R C 2.467 178.853 176.300 0.143 0.000 1.119 276 R CA 1.105 57.251 56.100 0.077 0.000 0.970 276 R CB -0.446 29.873 30.300 0.031 0.000 0.864 276 R HN 0.507 nan 8.270 nan 0.000 0.440 277 A N 0.823 123.725 122.820 0.138 0.000 1.933 277 A HA -0.071 4.249 4.320 -0.001 0.000 0.218 277 A C 2.358 180.032 177.584 0.151 0.000 1.175 277 A CA 1.705 53.820 52.037 0.131 0.000 0.628 277 A CB -0.964 18.108 19.000 0.121 0.000 0.814 277 A HN 0.460 nan 8.150 nan 0.000 0.444 278 G N -2.036 106.886 108.800 0.203 0.000 2.408 278 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 278 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 278 G C 1.510 176.476 174.900 0.111 0.000 1.150 278 G CA 1.122 46.302 45.100 0.134 0.000 0.776 278 G HN 0.480 nan 8.290 nan 0.000 0.542 279 Y N 1.418 121.718 120.300 0.001 0.000 2.165 279 Y HA -0.091 4.459 4.550 -0.000 0.000 0.286 279 Y C 3.048 178.941 175.900 -0.012 0.000 1.155 279 Y CA 1.654 59.743 58.100 -0.019 0.000 1.164 279 Y CB -0.101 38.354 38.460 -0.008 0.000 0.978 279 Y HN 0.080 nan 8.280 nan 0.000 0.513 280 R N -0.783 119.808 120.500 0.153 0.000 2.075 280 R HA -0.123 4.217 4.340 -0.001 0.000 0.232 280 R C 2.473 178.782 176.300 0.016 0.000 1.126 280 R CA 1.069 57.209 56.100 0.066 0.000 0.963 280 R CB -0.634 29.713 30.300 0.079 0.000 0.858 280 R HN 0.352 nan 8.270 nan 0.000 0.435 281 A N 1.218 124.054 122.820 0.027 0.000 1.933 281 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 281 A C 2.007 179.576 177.584 -0.026 0.000 1.175 281 A CA 1.139 53.180 52.037 0.008 0.000 0.628 281 A CB -0.410 18.606 19.000 0.026 0.000 0.814 281 A HN 0.193 nan 8.150 nan 0.000 0.444 282 L N -0.828 120.361 121.223 -0.056 0.000 2.599 282 L HA 0.010 4.349 4.340 -0.001 0.000 0.230 282 L C 0.410 177.206 176.870 -0.124 0.000 1.141 282 L CA 0.390 55.173 54.840 -0.094 0.000 0.877 282 L CB -0.416 41.567 42.059 -0.126 0.000 1.009 282 L HN 0.402 nan 8.230 nan 0.000 0.447 283 D N 0.992 121.324 120.400 -0.114 0.000 2.705 283 D HA -0.190 4.450 4.640 -0.001 0.000 0.240 283 D C -0.426 175.758 176.300 -0.192 0.000 1.137 283 D CA 0.678 54.609 54.000 -0.115 0.000 0.677 283 D CB -0.931 39.822 40.800 -0.078 0.000 1.049 283 D HN 0.173 nan 8.370 nan 0.000 0.427 284 L N -0.393 120.620 121.223 -0.350 0.000 2.332 284 L HA 0.754 5.094 4.340 -0.001 0.000 0.269 284 L C 0.485 177.061 176.870 -0.491 0.000 1.016 284 L CA -1.272 53.238 54.840 -0.551 0.000 0.809 284 L CB 1.178 42.604 42.059 -1.056 0.000 1.280 284 L HN 0.126 nan 8.230 nan 0.000 0.447 285 L N -1.787 119.246 121.223 -0.317 0.000 2.415 285 L HA 0.752 5.091 4.340 -0.001 0.000 0.256 285 L C -0.537 176.373 176.870 0.067 0.000 1.010 285 L CA -0.412 54.410 54.840 -0.030 0.000 0.826 285 L CB 1.788 43.857 42.059 0.017 0.000 1.405 285 L HN 0.296 nan 8.230 nan 0.000 0.410 286 T N 2.246 116.873 114.554 0.122 0.000 2.824 286 T HA 0.758 5.108 4.350 -0.001 0.000 0.280 286 T C -0.715 173.885 174.700 -0.166 0.000 0.995 286 T CA -0.032 62.016 62.100 -0.087 0.000 1.009 286 T CB 0.744 69.450 68.868 -0.269 0.000 0.955 286 T HN 0.594 nan 8.240 nan 0.000 0.452 287 F N 1.190 120.988 119.950 -0.253 0.000 2.593 287 F HA 0.908 5.435 4.527 -0.000 0.000 0.320 287 F C -1.693 173.967 175.800 -0.234 0.000 1.060 287 F CA -2.121 55.778 58.000 -0.168 0.000 0.940 287 F CB 0.954 39.980 39.000 0.044 0.000 1.268 287 F HN 0.382 nan 8.300 nan 0.000 0.475 288 F N -0.206 120.062 119.950 0.530 0.000 2.579 288 F HA 0.715 5.242 4.527 -0.001 0.000 0.324 288 F C 0.007 176.154 175.800 0.578 0.000 1.058 288 F CA -0.893 57.361 58.000 0.423 0.000 0.944 288 F CB 2.526 41.683 39.000 0.261 0.000 1.245 288 F HN 0.711 nan 8.300 nan 0.000 0.477 289 T N -0.305 114.694 114.554 0.743 0.000 2.829 289 T HA 0.895 5.244 4.350 -0.001 0.000 0.280 289 T C -0.896 174.061 174.700 0.428 0.000 0.999 289 T CA -0.785 61.678 62.100 0.605 0.000 0.983 289 T CB 1.599 70.826 68.868 0.598 0.000 0.968 289 T HN 0.960 nan 8.240 nan 0.000 0.446 290 A N 1.594 124.623 122.820 0.348 0.000 2.488 290 A HA 1.025 5.345 4.320 -0.001 0.000 0.298 290 A C -0.041 177.339 177.584 -0.340 0.000 1.044 290 A CA -0.360 51.681 52.037 0.007 0.000 0.693 290 A CB 1.600 20.602 19.000 0.003 0.000 1.272 290 A HN 1.678 nan 8.150 nan 0.000 0.402 291 G N -0.327 108.092 108.800 -0.635 0.000 2.488 291 G HA2 0.440 4.399 3.960 -0.001 0.000 0.301 291 G HA3 0.440 4.399 3.960 -0.001 0.000 0.301 291 G C 0.160 174.894 174.900 -0.276 0.000 1.339 291 G CA 0.112 44.820 45.100 -0.653 0.000 0.803 291 G HN 0.646 nan 8.290 nan 0.000 0.482 292 E N -0.507 119.689 120.200 -0.006 0.000 2.204 292 E HA -0.180 4.169 4.350 -0.001 0.000 0.195 292 E C 2.103 178.748 176.600 0.074 0.000 0.990 292 E CA 1.711 58.183 56.400 0.120 0.000 0.821 292 E CB 0.099 29.884 29.700 0.141 0.000 0.750 292 E HN 0.364 nan 8.360 nan 0.000 0.477 293 K N 0.372 120.798 120.400 0.045 0.000 2.243 293 K HA 0.137 4.457 4.320 -0.001 0.000 0.201 293 K C 0.569 177.198 176.600 0.048 0.000 1.051 293 K CA 0.454 56.772 56.287 0.052 0.000 0.970 293 K CB 0.372 32.906 32.500 0.057 0.000 0.755 293 K HN -0.001 nan 8.250 nan 0.000 0.465 294 E N -0.640 119.581 120.200 0.036 0.000 2.389 294 E HA 0.321 4.670 4.350 -0.001 0.000 0.281 294 E C -1.753 174.863 176.600 0.026 0.000 1.072 294 E CA -0.674 55.746 56.400 0.035 0.000 0.845 294 E CB 1.694 31.425 29.700 0.051 0.000 1.239 294 E HN -0.146 nan 8.360 nan 0.000 0.434 295 V N 3.201 123.123 119.914 0.015 0.000 2.483 295 V HA 0.616 4.736 4.120 -0.001 0.000 0.297 295 V C -0.415 175.683 176.094 0.006 0.000 1.027 295 V CA -0.565 61.752 62.300 0.027 0.000 0.855 295 V CB 1.696 33.514 31.823 -0.008 0.000 0.995 295 V HN 0.617 nan 8.190 nan 0.000 0.424 296 R N 3.454 123.997 120.500 0.072 0.000 2.725 296 R HA 0.846 5.186 4.340 -0.001 0.000 0.277 296 R C -0.890 175.333 176.300 -0.128 0.000 0.987 296 R CA -0.425 55.593 56.100 -0.136 0.000 0.901 296 R CB 2.088 32.184 30.300 -0.340 0.000 1.207 296 R HN 0.786 nan 8.270 nan 0.000 0.463 297 A N 3.201 125.801 122.820 -0.367 0.000 2.292 297 A HA 0.604 4.924 4.320 -0.001 0.000 0.319 297 A C -1.682 175.419 177.584 -0.805 0.000 1.206 297 A CA -0.509 51.244 52.037 -0.472 0.000 0.835 297 A CB 0.339 19.129 19.000 -0.350 0.000 1.164 297 A HN 0.653 nan 8.150 nan 0.000 0.505 298 W N 0.292 121.138 121.300 -0.756 0.000 2.781 298 W HA 0.620 5.280 4.660 -0.000 0.000 0.345 298 W C -0.207 175.903 176.519 -0.683 0.000 1.085 298 W CA -0.258 56.583 57.345 -0.839 0.000 1.198 298 W CB 2.200 30.770 29.460 -1.483 0.000 1.423 298 W HN 0.543 nan 8.180 nan 0.000 0.532 299 T N 2.462 116.930 114.554 -0.144 0.000 2.824 299 T HA 0.640 4.989 4.350 -0.001 0.000 0.282 299 T C -0.675 174.034 174.700 0.015 0.000 0.993 299 T CA -0.634 61.438 62.100 -0.046 0.000 0.967 299 T CB 1.060 69.924 68.868 -0.008 0.000 0.960 299 T HN 0.393 nan 8.240 nan 0.000 0.441 300 V N 1.125 121.054 119.914 0.025 0.000 3.114 300 V HA 0.702 4.821 4.120 -0.001 0.000 0.308 300 V C -0.582 175.474 176.094 -0.064 0.000 1.168 300 V CA -1.694 60.623 62.300 0.028 0.000 1.015 300 V CB 1.810 33.703 31.823 0.118 0.000 1.050 300 V HN 0.770 nan 8.190 nan 0.000 0.433 301 R N 1.103 121.560 120.500 -0.072 0.000 2.543 301 R HA 0.400 4.740 4.340 -0.001 0.000 0.277 301 R C 0.365 176.613 176.300 -0.087 0.000 1.074 301 R CA -0.538 55.501 56.100 -0.101 0.000 1.076 301 R CB 0.597 30.848 30.300 -0.082 0.000 0.993 301 R HN 0.821 nan 8.270 nan 0.000 0.459 302 R N 0.978 121.421 120.500 -0.095 0.000 2.538 302 R HA 0.008 4.347 4.340 -0.001 0.000 0.282 302 R C 0.605 176.859 176.300 -0.076 0.000 1.009 302 R CA 1.525 57.579 56.100 -0.077 0.000 1.063 302 R CB 0.088 30.348 30.300 -0.068 0.000 0.945 302 R HN 0.901 nan 8.270 nan 0.000 0.414 303 G N 2.301 111.048 108.800 -0.088 0.000 2.253 303 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.209 303 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.209 303 G C 0.007 174.841 174.900 -0.110 0.000 0.997 303 G CA 0.027 45.072 45.100 -0.093 0.000 0.640 303 G HN 0.662 nan 8.290 nan 0.000 0.496 304 T N 3.977 118.466 114.554 -0.108 0.000 2.902 304 T HA 0.427 4.777 4.350 -0.001 0.000 0.301 304 T C 0.612 175.209 174.700 -0.172 0.000 1.012 304 T CA 0.272 62.301 62.100 -0.118 0.000 1.151 304 T CB 1.074 69.890 68.868 -0.087 0.000 0.946 304 T HN 0.256 nan 8.240 nan 0.000 0.542 305 K N 1.924 122.215 120.400 -0.182 0.000 2.098 305 K HA 0.476 4.795 4.320 -0.001 0.000 0.244 305 K C 1.575 178.005 176.600 -0.283 0.000 1.014 305 K CA -0.543 55.612 56.287 -0.220 0.000 0.917 305 K CB 0.384 32.774 32.500 -0.183 0.000 1.072 305 K HN 0.552 nan 8.250 nan 0.000 0.477 306 A N 2.154 124.805 122.820 -0.281 0.000 1.892 306 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 306 A C -0.698 176.398 177.584 -0.814 0.000 1.188 306 A CA 1.707 53.502 52.037 -0.403 0.000 0.631 306 A CB -1.456 17.439 19.000 -0.176 0.000 0.822 306 A HN 0.532 nan 8.150 nan 0.000 0.447 307 P HA -0.165 nan 4.420 nan 0.000 0.215 307 P C 1.780 178.822 177.300 -0.430 0.000 1.157 307 P CA 1.573 64.100 63.100 -0.954 0.000 0.868 307 P CB -0.120 31.213 31.700 -0.611 0.000 0.788 308 R N -0.197 120.117 120.500 -0.311 0.000 2.092 308 R HA -0.062 4.277 4.340 -0.001 0.000 0.231 308 R C 2.084 178.279 176.300 -0.175 0.000 1.119 308 R CA 1.472 57.461 56.100 -0.186 0.000 0.970 308 R CB -0.832 29.384 30.300 -0.139 0.000 0.864 308 R HN 0.040 nan 8.270 nan 0.000 0.440 309 A N 0.946 123.617 122.820 -0.249 0.000 1.883 309 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 309 A C 2.392 179.816 177.584 -0.267 0.000 1.186 309 A CA 1.765 53.641 52.037 -0.268 0.000 0.624 309 A CB -0.921 17.741 19.000 -0.563 0.000 0.822 309 A HN 0.536 nan 8.150 nan 0.000 0.444 310 A N -0.531 122.109 122.820 -0.300 0.000 1.940 310 A HA 0.075 4.394 4.320 -0.001 0.000 0.219 310 A C 2.395 179.896 177.584 -0.138 0.000 1.176 310 A CA 1.967 53.891 52.037 -0.189 0.000 0.631 310 A CB -1.407 17.574 19.000 -0.032 0.000 0.814 310 A HN 0.821 nan 8.150 nan 0.000 0.446 311 G N -0.630 108.101 108.800 -0.114 0.000 2.448 311 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.219 311 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.219 311 G C 1.356 176.213 174.900 -0.071 0.000 1.127 311 G CA 0.949 46.010 45.100 -0.064 0.000 0.766 311 G HN 0.501 nan 8.290 nan 0.000 0.552 312 E N 0.452 120.598 120.200 -0.089 0.000 2.106 312 E HA -0.064 4.286 4.350 -0.001 0.000 0.192 312 E C 2.601 179.032 176.600 -0.282 0.000 0.984 312 E CA 0.545 56.903 56.400 -0.069 0.000 0.806 312 E CB -0.150 29.580 29.700 0.050 0.000 0.750 312 E HN 0.554 nan 8.360 nan 0.000 0.458 313 I N -0.214 120.004 120.570 -0.586 0.000 2.193 313 I HA -0.159 4.011 4.170 -0.001 0.000 0.240 313 I C 0.679 176.383 176.117 -0.687 0.000 1.084 313 I CA 1.066 61.794 61.300 -0.954 0.000 1.365 313 I CB -0.014 37.486 38.000 -0.834 0.000 1.064 313 I HN -0.004 nan 8.210 nan 0.000 0.410 314 H N -0.491 118.499 119.070 -0.134 0.000 3.018 314 H HA 0.271 4.827 4.556 -0.000 0.000 0.334 314 H C 0.687 175.992 175.328 -0.037 0.000 0.983 314 H CA -0.628 55.389 56.048 -0.051 0.000 1.363 314 H CB 2.001 31.734 29.762 -0.048 0.000 1.668 314 H HN -0.092 nan 8.280 nan 0.000 0.513 315 S N 2.076 117.835 115.700 0.098 0.000 2.378 315 S HA -0.193 4.276 4.470 -0.001 0.000 0.229 315 S C 0.572 175.201 174.600 0.048 0.000 1.052 315 S CA 1.519 59.750 58.200 0.051 0.000 1.084 315 S CB -0.063 63.163 63.200 0.045 0.000 0.950 315 S HN 0.650 nan 8.310 nan 0.000 0.440 319 R N 0.445 120.981 120.500 0.061 0.000 2.075 319 R HA 0.106 4.446 4.340 -0.001 0.000 0.226 319 R C 2.048 178.396 176.300 0.080 0.000 1.114 319 R CA 1.232 57.366 56.100 0.057 0.000 0.972 319 R CB -0.147 30.171 30.300 0.030 0.000 0.869 319 R HN 0.196 nan 8.270 nan 0.000 0.437 320 G N 0.538 109.388 108.800 0.083 0.000 2.776 320 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.209 320 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.209 320 G C 0.105 175.065 174.900 0.099 0.000 1.145 320 G CA -0.435 44.709 45.100 0.074 0.000 0.791 320 G HN 0.118 nan 8.290 nan 0.000 0.530 321 F N 1.164 121.111 119.950 -0.005 0.000 2.543 321 F HA 0.343 4.870 4.527 -0.000 0.000 0.375 321 F C 1.096 176.888 175.800 -0.012 0.000 1.075 321 F CA -0.232 57.764 58.000 -0.007 0.000 1.225 321 F CB 0.596 39.581 39.000 -0.025 0.000 1.099 321 F HN -0.040 nan 8.300 nan 0.000 0.561 322 I N 4.511 124.701 120.570 -0.633 0.000 3.366 322 I HA 0.191 4.361 4.170 -0.001 0.000 0.267 322 I C 0.092 175.780 176.117 -0.715 0.000 1.149 322 I CA -0.161 60.865 61.300 -0.457 0.000 1.436 322 I CB 0.108 37.922 38.000 -0.310 0.000 1.379 322 I HN 0.561 nan 8.210 nan 0.000 0.460 323 R N 0.953 120.819 120.500 -1.058 0.000 2.752 323 R HA 0.812 5.152 4.340 -0.001 0.000 0.277 323 R C -1.823 174.121 176.300 -0.595 0.000 1.024 323 R CA -0.869 54.778 56.100 -0.756 0.000 0.866 323 R CB 1.588 31.733 30.300 -0.259 0.000 1.278 323 R HN -0.068 nan 8.270 nan 0.000 0.473 324 A N 0.820 123.560 122.820 -0.133 0.000 2.549 324 A HA 0.514 4.833 4.320 -0.001 0.000 0.297 324 A C -1.341 176.272 177.584 0.048 0.000 1.061 324 A CA -0.885 51.160 52.037 0.013 0.000 0.690 324 A CB 1.838 20.973 19.000 0.225 0.000 1.287 324 A HN 0.725 nan 8.150 nan 0.000 0.402 325 E N 0.382 120.627 120.200 0.075 0.000 2.313 325 E HA 0.492 4.841 4.350 -0.001 0.000 0.276 325 E C -0.884 175.847 176.600 0.219 0.000 1.031 325 E CA -0.289 56.188 56.400 0.128 0.000 0.857 325 E CB 1.566 31.327 29.700 0.101 0.000 1.040 325 E HN 0.355 nan 8.360 nan 0.000 0.408 326 V N 4.559 124.592 119.914 0.199 0.000 2.760 326 V HA 0.564 4.684 4.120 -0.001 0.000 0.309 326 V C -0.525 175.697 176.094 0.214 0.000 1.077 326 V CA -0.821 61.598 62.300 0.200 0.000 0.910 326 V CB 1.935 33.743 31.823 -0.025 0.000 1.008 326 V HN 0.637 nan 8.190 nan 0.000 0.424 327 I N 4.698 125.417 120.570 0.247 0.000 2.743 327 I HA 0.509 4.679 4.170 -0.001 0.000 0.292 327 I C -2.914 173.289 176.117 0.143 0.000 1.343 327 I CA -2.088 59.307 61.300 0.159 0.000 1.038 327 I CB 3.399 41.484 38.000 0.141 0.000 1.311 327 I HN 0.456 nan 8.210 nan 0.000 0.426 328 P HA -0.008 nan 4.420 nan 0.000 0.265 328 P C 0.569 177.864 177.300 -0.009 0.000 1.193 328 P CA -0.009 63.126 63.100 0.058 0.000 0.765 328 P CB 0.199 31.843 31.700 -0.093 0.000 0.823 329 W N 5.538 126.889 121.300 0.084 0.000 2.325 329 W HA -0.191 4.469 4.660 -0.000 0.000 0.299 329 W C 0.866 177.347 176.519 -0.063 0.000 1.215 329 W CA 1.934 59.276 57.345 -0.004 0.000 1.244 329 W CB -1.563 27.861 29.460 -0.060 0.000 1.140 329 W HN 0.343 nan 8.180 nan 0.000 0.523 330 D N 0.910 120.412 120.400 -1.497 0.000 2.178 330 D HA -0.205 4.434 4.640 -0.001 0.000 0.202 330 D C 1.602 177.508 176.300 -0.657 0.000 0.974 330 D CA 1.148 54.286 54.000 -1.437 0.000 0.841 330 D CB -0.605 39.340 40.800 -1.425 0.000 0.953 330 D HN 0.089 nan 8.370 nan 0.000 0.478 331 K N 0.033 120.128 120.400 -0.507 0.000 2.167 331 K HA 0.039 4.359 4.320 -0.001 0.000 0.203 331 K C 2.153 178.695 176.600 -0.097 0.000 1.052 331 K CA 0.021 56.066 56.287 -0.404 0.000 0.956 331 K CB -0.456 31.739 32.500 -0.508 0.000 0.735 331 K HN 0.189 nan 8.250 nan 0.000 0.451 332 L N 0.987 122.129 121.223 -0.133 0.000 2.056 332 L HA -0.087 4.253 4.340 -0.001 0.000 0.207 332 L C 2.018 178.804 176.870 -0.140 0.000 1.078 332 L CA 1.307 56.066 54.840 -0.134 0.000 0.749 332 L CB -0.405 41.520 42.059 -0.224 0.000 0.901 332 L HN -0.177 nan 8.230 nan 0.000 0.433 333 V N -0.248 119.584 119.914 -0.138 0.000 2.307 333 V HA -0.282 3.838 4.120 -0.001 0.000 0.245 333 V C 2.564 178.604 176.094 -0.089 0.000 1.045 333 V CA 1.928 64.158 62.300 -0.117 0.000 1.024 333 V CB -0.611 31.175 31.823 -0.062 0.000 0.651 333 V HN 0.589 nan 8.190 nan 0.000 0.449 334 E N 0.246 120.402 120.200 -0.074 0.000 2.110 334 E HA -0.226 4.124 4.350 -0.001 0.000 0.193 334 E C 2.183 178.872 176.600 0.148 0.000 0.988 334 E CA 1.388 57.806 56.400 0.031 0.000 0.804 334 E CB -0.191 29.518 29.700 0.016 0.000 0.745 334 E HN 0.574 nan 8.360 nan 0.000 0.458 335 A N -0.017 122.938 122.820 0.225 0.000 1.929 335 A HA 0.090 4.409 4.320 -0.001 0.000 0.216 335 A C 2.000 179.551 177.584 -0.055 0.000 1.176 335 A CA 1.553 53.642 52.037 0.086 0.000 0.628 335 A CB -0.481 18.578 19.000 0.097 0.000 0.816 335 A HN 0.556 nan 8.150 nan 0.000 0.444 336 G N -3.432 105.302 108.800 -0.110 0.000 2.163 336 G HA2 0.392 4.352 3.960 -0.001 0.000 0.213 336 G HA3 0.392 4.352 3.960 -0.001 0.000 0.213 336 G C 0.914 175.643 174.900 -0.286 0.000 0.991 336 G CA 0.343 45.334 45.100 -0.182 0.000 0.653 336 G HN 2.265 nan 8.290 nan 0.000 0.518 337 G N -2.706 105.908 108.800 -0.309 0.000 2.356 337 G HA2 0.334 4.294 3.960 -0.001 0.000 0.300 337 G HA3 0.334 4.294 3.960 -0.001 0.000 0.300 337 G C 0.272 175.138 174.900 -0.057 0.000 1.331 337 G CA 0.238 45.147 45.100 -0.318 0.000 0.905 337 G HN 0.466 nan 8.290 nan 0.000 0.587 338 W N 0.201 121.605 121.300 0.174 0.000 2.407 338 W HA 0.220 4.879 4.660 -0.000 0.000 0.305 338 W C 2.897 179.449 176.519 0.054 0.000 1.196 338 W CA 2.116 59.548 57.345 0.145 0.000 1.311 338 W CB -0.135 29.404 29.460 0.131 0.000 1.135 338 W HN 0.809 nan 8.180 nan 0.000 0.514 339 A N 0.629 123.616 122.820 0.278 0.000 1.908 339 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 339 A C 2.013 179.633 177.584 0.061 0.000 1.181 339 A CA 1.595 53.711 52.037 0.132 0.000 0.627 339 A CB -0.679 18.373 19.000 0.088 0.000 0.818 339 A HN 0.227 nan 8.150 nan 0.000 0.445 340 R N -0.736 119.780 120.500 0.026 0.000 2.092 340 R HA -0.050 4.290 4.340 -0.001 0.000 0.231 340 R C 2.449 178.693 176.300 -0.093 0.000 1.119 340 R CA 1.186 57.255 56.100 -0.053 0.000 0.970 340 R CB -0.513 29.740 30.300 -0.079 0.000 0.864 340 R HN 0.527 nan 8.270 nan 0.000 0.440 341 A N 1.557 124.368 122.820 -0.015 0.000 1.930 341 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 341 A C 1.969 179.565 177.584 0.020 0.000 1.175 341 A CA 1.232 53.279 52.037 0.018 0.000 0.627 341 A CB -0.171 18.910 19.000 0.135 0.000 0.815 341 A HN 0.200 nan 8.150 nan 0.000 0.443 342 K N -0.349 120.099 120.400 0.080 0.000 2.026 342 K HA -0.160 4.159 4.320 -0.001 0.000 0.208 342 K C 2.158 178.741 176.600 -0.027 0.000 1.048 342 K CA 1.299 57.627 56.287 0.069 0.000 0.929 342 K CB -0.171 32.384 32.500 0.092 0.000 0.713 342 K HN 0.538 nan 8.250 nan 0.000 0.439 343 E N 1.322 121.484 120.200 -0.064 0.000 2.118 343 E HA -0.223 4.127 4.350 -0.001 0.000 0.195 343 E C 1.715 178.199 176.600 -0.193 0.000 0.992 343 E CA 1.238 57.575 56.400 -0.105 0.000 0.804 343 E CB 0.142 29.781 29.700 -0.102 0.000 0.741 343 E HN 0.137 nan 8.360 nan 0.000 0.458 344 R N -0.651 119.649 120.500 -0.334 0.000 2.307 344 R HA -0.005 4.334 4.340 -0.001 0.000 0.199 344 R C 1.195 177.192 176.300 -0.503 0.000 1.000 344 R CA 0.777 56.503 56.100 -0.623 0.000 1.023 344 R CB -0.249 29.276 30.300 -1.292 0.000 0.908 344 R HN 0.360 nan 8.270 nan 0.000 0.473 345 G N 0.324 108.998 108.800 -0.210 0.000 2.198 345 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.257 345 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.257 345 G C 0.116 175.123 174.900 0.179 0.000 1.042 345 G CA 0.182 45.270 45.100 -0.019 0.000 0.791 345 G HN 0.351 nan 8.290 nan 0.000 0.502 346 W N -0.812 120.501 121.300 0.022 0.000 3.177 346 W HA 0.459 5.119 4.660 -0.000 0.000 0.309 346 W C 0.764 177.310 176.519 0.045 0.000 1.224 346 W CA -0.764 56.590 57.345 0.016 0.000 1.718 346 W CB 0.113 29.565 29.460 -0.012 0.000 1.078 346 W HN 0.173 nan 8.180 nan 0.000 0.618 347 V N 2.430 122.513 119.914 0.282 0.000 2.406 347 V HA 0.291 4.411 4.120 -0.001 0.000 0.272 347 V C 0.348 176.547 176.094 0.174 0.000 1.043 347 V CA -0.617 61.840 62.300 0.260 0.000 0.915 347 V CB 0.857 32.871 31.823 0.319 0.000 0.988 347 V HN -0.218 nan 8.190 nan 0.000 0.466 348 R N 4.134 124.714 120.500 0.133 0.000 2.536 348 R HA 0.669 5.009 4.340 -0.001 0.000 0.279 348 R C -0.918 175.399 176.300 0.028 0.000 1.001 348 R CA -0.613 55.518 56.100 0.052 0.000 1.027 348 R CB 1.358 31.646 30.300 -0.019 0.000 1.096 348 R HN 0.594 nan 8.270 nan 0.000 0.502 349 L N 2.938 124.163 121.223 0.002 0.000 2.276 349 L HA 0.357 4.696 4.340 -0.001 0.000 0.286 349 L C -0.206 176.640 176.870 -0.039 0.000 1.024 349 L CA -0.462 54.373 54.840 -0.007 0.000 0.826 349 L CB 1.147 43.207 42.059 0.001 0.000 1.211 349 L HN 0.425 nan 8.230 nan 0.000 0.422 350 E N 2.019 122.186 120.200 -0.056 0.000 2.207 350 E HA 0.536 4.885 4.350 -0.001 0.000 0.270 350 E C 0.014 176.687 176.600 0.122 0.000 0.927 350 E CA -0.384 55.980 56.400 -0.060 0.000 0.799 350 E CB 2.643 32.133 29.700 -0.349 0.000 1.172 350 E HN 0.642 nan 8.360 nan 0.000 0.404 351 G N 0.577 109.481 108.800 0.173 0.000 2.606 351 G HA2 0.159 4.119 3.960 -0.001 0.000 0.262 351 G HA3 0.159 4.119 3.960 -0.001 0.000 0.262 351 G C 0.446 175.587 174.900 0.401 0.000 1.394 351 G CA -0.392 44.874 45.100 0.276 0.000 1.044 351 G HN 0.320 nan 8.290 nan 0.000 0.553 352 K N 0.203 120.817 120.400 0.356 0.000 2.442 352 K HA -0.036 4.284 4.320 -0.001 0.000 0.198 352 K C 1.361 177.986 176.600 0.042 0.000 1.042 352 K CA 1.290 57.669 56.287 0.154 0.000 0.958 352 K CB 0.158 32.749 32.500 0.152 0.000 0.766 352 K HN 0.595 nan 8.250 nan 0.000 0.474 353 D N -0.250 120.205 120.400 0.093 0.000 2.350 353 D HA -0.130 4.510 4.640 -0.001 0.000 0.213 353 D C 0.169 176.514 176.300 0.075 0.000 1.031 353 D CA -0.208 53.827 54.000 0.058 0.000 0.861 353 D CB -0.261 40.579 40.800 0.067 0.000 0.926 353 D HN 0.099 nan 8.370 nan 0.000 0.520 354 Y N 2.517 122.811 120.300 -0.011 0.000 2.496 354 Y HA 0.187 4.737 4.550 -0.001 0.000 0.334 354 Y C -0.003 175.867 175.900 -0.050 0.000 1.080 354 Y CA -0.539 57.554 58.100 -0.013 0.000 1.355 354 Y CB 0.388 38.858 38.460 0.017 0.000 1.193 354 Y HN -0.192 nan 8.280 nan 0.000 0.523 355 E N 5.096 124.880 120.200 -0.693 0.000 2.194 355 E HA 0.271 4.621 4.350 -0.001 0.000 0.284 355 E C -0.699 175.315 176.600 -0.977 0.000 1.035 355 E CA -0.647 55.390 56.400 -0.605 0.000 0.836 355 E CB 1.023 30.521 29.700 -0.336 0.000 1.070 355 E HN 0.480 nan 8.360 nan 0.000 0.401 356 V N 3.931 123.489 119.914 -0.594 0.000 2.763 356 V HA -0.090 4.029 4.120 -0.001 0.000 0.306 356 V C 0.340 176.326 176.094 -0.179 0.000 1.059 356 V CA 0.422 62.514 62.300 -0.346 0.000 1.138 356 V CB 0.662 32.385 31.823 -0.166 0.000 0.940 356 V HN 0.702 nan 8.190 nan 0.000 0.489 357 Q N 1.712 121.510 119.800 -0.002 0.000 2.306 357 Q HA 0.360 4.700 4.340 -0.001 0.000 0.265 357 Q C -0.631 175.458 176.000 0.148 0.000 1.022 357 Q CA -0.836 55.007 55.803 0.065 0.000 0.853 357 Q CB 1.994 30.802 28.738 0.117 0.000 1.327 357 Q HN 0.823 nan 8.270 nan 0.000 0.449 358 D N -0.255 120.227 120.400 0.136 0.000 2.488 358 D HA 0.200 4.840 4.640 -0.001 0.000 0.238 358 D C 0.885 177.345 176.300 0.267 0.000 1.138 358 D CA 1.976 56.078 54.000 0.170 0.000 0.873 358 D CB 0.285 41.172 40.800 0.146 0.000 1.183 358 D HN 0.686 nan 8.370 nan 0.000 0.458 359 G N 2.828 111.818 108.800 0.317 0.000 2.199 359 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.254 359 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.254 359 G C 0.045 175.349 174.900 0.673 0.000 0.982 359 G CA 0.055 45.520 45.100 0.609 0.000 0.632 359 G HN 0.635 nan 8.290 nan 0.000 0.529 360 D N 0.358 121.044 120.400 0.477 0.000 2.443 360 D HA 0.432 5.072 4.640 -0.001 0.000 0.239 360 D C 0.562 177.205 176.300 0.571 0.000 1.136 360 D CA 0.295 54.565 54.000 0.450 0.000 0.879 360 D CB 1.625 42.644 40.800 0.365 0.000 1.195 360 D HN 0.196 nan 8.370 nan 0.000 0.443 361 V N 3.891 124.115 119.914 0.516 0.000 2.459 361 V HA 0.452 4.571 4.120 -0.001 0.000 0.295 361 V C 0.420 176.855 176.094 0.568 0.000 1.029 361 V CA -0.660 61.991 62.300 0.585 0.000 0.874 361 V CB 1.348 33.429 31.823 0.431 0.000 0.985 361 V HN 0.331 nan 8.190 nan 0.000 0.438 362 I N 4.421 125.328 120.570 0.561 0.000 2.608 362 I HA 0.477 4.646 4.170 -0.001 0.000 0.295 362 I C -1.472 174.872 176.117 0.377 0.000 1.049 362 I CA -0.842 60.693 61.300 0.391 0.000 1.063 362 I CB 2.253 40.307 38.000 0.091 0.000 1.248 362 I HN 0.592 nan 8.210 nan 0.000 0.424 363 Y N 5.694 126.046 120.300 0.087 0.000 2.327 363 Y HA 0.519 5.069 4.550 -0.001 0.000 0.325 363 Y C -0.857 174.998 175.900 -0.074 0.000 0.999 363 Y CA -0.794 57.249 58.100 -0.095 0.000 1.195 363 Y CB 1.404 39.586 38.460 -0.464 0.000 1.132 363 Y HN 0.230 nan 8.280 nan 0.000 0.455 364 V N 7.328 126.962 119.914 -0.467 0.000 2.530 364 V HA 0.187 4.307 4.120 -0.001 0.000 0.282 364 V C 0.066 175.939 176.094 -0.367 0.000 1.048 364 V CA -0.496 61.637 62.300 -0.278 0.000 0.997 364 V CB 0.920 32.664 31.823 -0.130 0.000 0.987 364 V HN 0.627 nan 8.190 nan 0.000 0.477 365 L N 6.754 127.844 121.223 -0.221 0.000 2.268 365 L HA 0.534 4.874 4.340 -0.001 0.000 0.289 365 L C -0.286 176.586 176.870 0.004 0.000 1.064 365 L CA 0.104 54.864 54.840 -0.133 0.000 0.824 365 L CB -0.341 41.695 42.059 -0.038 0.000 1.202 365 L HN 0.629 nan 8.230 nan 0.000 0.433 366 F N 0.000 119.844 119.950 -0.177 0.000 2.286 366 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 366 F CA 0.000 57.917 58.000 -0.138 0.000 1.383 366 F CB 0.000 38.920 39.000 -0.133 0.000 1.145 366 F HN 0.000 nan 8.300 nan 0.000 0.574