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 2vqv_1_B DATA FIRST_RESID 7 DATA SEQUENCE RFTTGLVYDT LMLKXXXXXX XXXXXXXHAG RIQSIWSRLQ ETGLRGKCEA DATA SEQUENCE IRGRKATLEE LQTVHSEAHT LLYGTNPLXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXDT IWNEVHSAGA ARLAVGCVVE LVFKVATGEL KNGFAVVRPP DATA SEQUENCE GHHAEESTPM GFCYFNSVAV AAKLLQQRLS VSKILIVDWD VHHGNGTQQA DATA SEQUENCE FYSDPSVLYM SLHRYDDGNF FPGSGAPDEV GTGPGVGFNV NMAFTGGLDP DATA SEQUENCE PMGDAEYLAA FRTVVMPIAS EFAPDVVLVS SGFDAVEGHP TPLGGYNLSA DATA SEQUENCE RCFGYLTKQL MGLAGGRIVL ALEGGYDLTA ICDASEACVS ALLGNELDPL DATA SEQUENCE PEKVLQQRPN ANAVRSMEKV MEIHSKYWRC LQRTTSTAGR SLIEAQTCE 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.402 176.300 0.170 0.000 0.893 7 R CA 0.000 56.168 56.100 0.113 0.000 0.921 7 R CB 0.000 30.344 30.300 0.073 0.000 0.687 8 F N 2.686 122.654 119.950 0.030 0.000 2.329 8 F HA 0.695 5.224 4.527 0.002 0.000 0.362 8 F C 0.321 176.141 175.800 0.034 0.000 1.113 8 F CA 0.110 58.130 58.000 0.033 0.000 1.212 8 F CB 1.008 40.025 39.000 0.028 0.000 1.509 8 F HN 0.884 nan 8.300 nan 0.000 0.546 9 T N 1.745 116.153 114.554 -0.243 0.000 2.590 9 T HA 0.378 4.729 4.350 0.002 0.000 0.282 9 T C -0.673 173.911 174.700 -0.193 0.000 0.989 9 T CA -0.445 61.524 62.100 -0.218 0.000 1.091 9 T CB 1.358 70.184 68.868 -0.069 0.000 1.460 9 T HN 0.144 nan 8.240 nan 0.000 0.499 10 T N 1.847 116.339 114.554 -0.102 0.000 2.752 10 T HA 0.516 4.867 4.350 0.002 0.000 0.295 10 T C 0.538 175.244 174.700 0.009 0.000 0.923 10 T CA -0.307 61.767 62.100 -0.043 0.000 1.112 10 T CB 0.319 69.180 68.868 -0.012 0.000 0.884 10 T HN 0.731 nan 8.240 nan 0.000 0.525 11 G N 2.694 111.518 108.800 0.040 0.000 2.537 11 G HA2 0.653 4.615 3.960 0.002 0.000 0.273 11 G HA3 0.653 4.615 3.960 0.002 0.000 0.273 11 G C -0.683 174.313 174.900 0.160 0.000 1.189 11 G CA -0.693 44.462 45.100 0.093 0.000 0.881 11 G HN 0.663 nan 8.290 nan 0.000 0.535 12 L N -0.710 120.641 121.223 0.213 0.000 2.327 12 L HA 0.689 5.031 4.340 0.002 0.000 0.258 12 L C -0.772 176.284 176.870 0.310 0.000 1.024 12 L CA -1.260 53.776 54.840 0.328 0.000 0.825 12 L CB 2.410 44.732 42.059 0.439 0.000 1.386 12 L HN 0.277 nan 8.230 nan 0.000 0.417 13 V N 0.038 120.148 119.914 0.326 0.000 2.525 13 V HA 0.501 4.622 4.120 0.002 0.000 0.299 13 V C -1.436 174.763 176.094 0.175 0.000 1.034 13 V CA -0.676 61.746 62.300 0.203 0.000 0.863 13 V CB 1.582 33.488 31.823 0.138 0.000 0.999 13 V HN 0.570 nan 8.190 nan 0.000 0.423 14 Y N 2.224 122.392 120.300 -0.220 0.000 2.576 14 Y HA 0.797 5.349 4.550 0.002 0.000 0.346 14 Y C -1.108 174.592 175.900 -0.334 0.000 1.018 14 Y CA -1.050 56.760 58.100 -0.483 0.000 1.050 14 Y CB 2.424 40.024 38.460 -1.434 0.000 1.280 14 Y HN 0.772 nan 8.280 nan 0.000 0.474 15 D N 1.249 121.070 120.400 -0.964 0.000 2.878 15 D HA 0.118 4.759 4.640 0.002 0.000 0.211 15 D C -0.116 175.668 176.300 -0.860 0.000 1.271 15 D CA 0.066 53.649 54.000 -0.696 0.000 0.845 15 D CB 2.121 42.722 40.800 -0.332 0.000 1.679 15 D HN 0.723 nan 8.370 nan 0.000 0.536 16 T N 0.673 114.876 114.554 -0.586 0.000 3.113 16 T HA 0.069 4.420 4.350 0.002 0.000 0.256 16 T C 2.038 176.636 174.700 -0.170 0.000 1.131 16 T CA 0.138 62.021 62.100 -0.361 0.000 1.074 16 T CB 0.058 68.832 68.868 -0.156 0.000 0.944 16 T HN 0.377 nan 8.240 nan 0.000 0.516 17 L N -0.109 121.026 121.223 -0.147 0.000 2.465 17 L HA 0.216 4.557 4.340 0.002 0.000 0.224 17 L C 2.467 179.325 176.870 -0.021 0.000 1.145 17 L CA 0.735 55.552 54.840 -0.039 0.000 0.834 17 L CB -0.406 41.631 42.059 -0.036 0.000 0.944 17 L HN 0.335 nan 8.230 nan 0.000 0.451 18 M N -0.612 118.918 119.600 -0.117 0.000 2.619 18 M HA 0.006 4.488 4.480 0.002 0.000 0.251 18 M C 0.326 176.622 176.300 -0.007 0.000 1.106 18 M CA 0.589 55.823 55.300 -0.109 0.000 1.086 18 M CB 0.101 32.614 32.600 -0.145 0.000 1.465 18 M HN 0.128 nan 8.290 nan 0.000 0.506 19 L N 0.557 121.812 121.223 0.053 0.000 2.375 19 L HA 0.206 4.547 4.340 0.002 0.000 0.271 19 L C 0.726 177.732 176.870 0.227 0.000 1.107 19 L CA -0.392 54.511 54.840 0.105 0.000 0.806 19 L CB 0.719 42.809 42.059 0.052 0.000 1.146 19 L HN 0.054 nan 8.230 nan 0.000 0.447 35 A N 1.531 124.381 122.820 0.050 0.000 2.340 35 A HA 0.840 5.162 4.320 0.002 0.000 0.268 35 A C 1.343 178.971 177.584 0.074 0.000 1.100 35 A CA 0.156 52.233 52.037 0.066 0.000 0.803 35 A CB 0.344 19.386 19.000 0.070 0.000 1.043 35 A HN 1.763 nan 8.150 nan 0.000 0.488 36 G N 0.027 108.882 108.800 0.091 0.000 2.563 36 G HA2 0.389 4.350 3.960 0.002 0.000 0.283 36 G HA3 0.389 4.350 3.960 0.002 0.000 0.283 36 G C 0.761 175.729 174.900 0.112 0.000 1.309 36 G CA -0.478 44.681 45.100 0.097 0.000 1.022 36 G HN 0.813 nan 8.290 nan 0.000 0.501 37 R N -0.709 119.860 120.500 0.115 0.000 2.092 37 R HA -0.111 4.230 4.340 0.002 0.000 0.226 37 R C 2.621 179.015 176.300 0.156 0.000 1.140 37 R CA 1.936 58.109 56.100 0.121 0.000 0.910 37 R CB -0.738 29.622 30.300 0.099 0.000 0.822 37 R HN 0.683 nan 8.270 nan 0.000 0.433 38 I N -0.831 119.851 120.570 0.187 0.000 2.423 38 I HA -0.277 3.894 4.170 0.002 0.000 0.254 38 I C 2.463 178.774 176.117 0.323 0.000 1.151 38 I CA 1.570 63.037 61.300 0.279 0.000 1.421 38 I CB -0.529 37.661 38.000 0.316 0.000 1.079 38 I HN 0.275 nan 8.210 nan 0.000 0.431 39 Q N 1.455 121.419 119.800 0.273 0.000 2.046 39 Q HA -0.147 4.194 4.340 0.002 0.000 0.200 39 Q C 2.385 178.488 176.000 0.172 0.000 0.975 39 Q CA 2.177 58.130 55.803 0.251 0.000 0.836 39 Q CB 0.085 28.947 28.738 0.206 0.000 0.896 39 Q HN 0.649 nan 8.270 nan 0.000 0.428 40 S N 0.833 116.613 115.700 0.135 0.000 2.348 40 S HA -0.145 4.326 4.470 0.002 0.000 0.221 40 S C 1.948 176.591 174.600 0.071 0.000 1.033 40 S CA 1.179 59.432 58.200 0.088 0.000 1.010 40 S CB -0.306 62.939 63.200 0.075 0.000 0.891 40 S HN 0.346 nan 8.310 nan 0.000 0.442 41 I N 0.632 121.264 120.570 0.104 0.000 2.091 41 I HA -0.284 3.887 4.170 0.002 0.000 0.239 41 I C 2.373 178.508 176.117 0.030 0.000 1.061 41 I CA 1.584 62.934 61.300 0.083 0.000 1.317 41 I CB -0.340 37.763 38.000 0.171 0.000 1.031 41 I HN 0.505 nan 8.210 nan 0.000 0.401 42 W N 1.517 122.716 121.300 -0.168 0.000 2.342 42 W HA -0.243 4.418 4.660 0.002 0.000 0.297 42 W C 2.656 179.042 176.519 -0.222 0.000 1.213 42 W CA 1.890 59.041 57.345 -0.323 0.000 1.251 42 W CB -0.131 28.869 29.460 -0.766 0.000 1.136 42 W HN 0.152 nan 8.180 nan 0.000 0.526 43 S N 0.359 116.041 115.700 -0.030 0.000 2.348 43 S HA -0.267 4.204 4.470 0.002 0.000 0.221 43 S C 1.711 176.222 174.600 -0.148 0.000 1.033 43 S CA 1.886 60.041 58.200 -0.074 0.000 1.010 43 S CB -0.593 62.609 63.200 0.004 0.000 0.891 43 S HN 0.181 nan 8.310 nan 0.000 0.442 44 R N 1.790 122.220 120.500 -0.117 0.000 2.112 44 R HA -0.063 4.278 4.340 0.002 0.000 0.242 44 R C 2.041 178.218 176.300 -0.206 0.000 1.137 44 R CA 1.651 57.672 56.100 -0.132 0.000 0.944 44 R CB -1.149 29.089 30.300 -0.104 0.000 0.857 44 R HN 0.424 nan 8.270 nan 0.000 0.435 45 L N 0.046 121.091 121.223 -0.296 0.000 2.079 45 L HA -0.247 4.094 4.340 0.002 0.000 0.210 45 L C 2.682 179.300 176.870 -0.420 0.000 1.081 45 L CA 1.832 56.433 54.840 -0.399 0.000 0.752 45 L CB -0.537 41.175 42.059 -0.578 0.000 0.896 45 L HN 0.440 nan 8.230 nan 0.000 0.433 46 Q N -0.051 119.480 119.800 -0.448 0.000 1.965 46 Q HA -0.212 4.129 4.340 0.002 0.000 0.200 46 Q C 2.129 178.005 176.000 -0.206 0.000 0.981 46 Q CA 1.616 57.214 55.803 -0.342 0.000 0.834 46 Q CB -0.036 28.524 28.738 -0.296 0.000 0.900 46 Q HN 0.474 nan 8.270 nan 0.000 0.426 47 E N -0.160 119.942 120.200 -0.163 0.000 2.160 47 E HA -0.193 4.158 4.350 0.002 0.000 0.195 47 E C 1.978 178.514 176.600 -0.106 0.000 0.991 47 E CA 1.700 58.034 56.400 -0.110 0.000 0.810 47 E CB -0.117 29.531 29.700 -0.086 0.000 0.742 47 E HN 0.491 nan 8.360 nan 0.000 0.466 48 T N -3.253 111.224 114.554 -0.129 0.000 2.995 48 T HA 0.088 4.439 4.350 0.002 0.000 0.269 48 T C 1.721 176.354 174.700 -0.111 0.000 1.091 48 T CA 0.725 62.757 62.100 -0.114 0.000 1.128 48 T CB 0.192 68.984 68.868 -0.127 0.000 0.891 48 T HN 0.340 nan 8.240 nan 0.000 0.492 49 G N 0.924 109.645 108.800 -0.133 0.000 2.194 49 G HA2 -0.250 3.711 3.960 0.002 0.000 0.236 49 G HA3 -0.250 3.711 3.960 0.002 0.000 0.236 49 G C 0.775 175.598 174.900 -0.129 0.000 0.987 49 G CA 0.252 45.282 45.100 -0.117 0.000 0.635 49 G HN 0.522 nan 8.290 nan 0.000 0.520 50 L N -0.153 120.977 121.223 -0.155 0.000 2.083 50 L HA -0.052 4.289 4.340 0.002 0.000 0.209 50 L C 2.892 179.649 176.870 -0.188 0.000 1.083 50 L CA 1.976 56.722 54.840 -0.158 0.000 0.752 50 L CB -0.398 41.555 42.059 -0.176 0.000 0.899 50 L HN 0.342 nan 8.230 nan 0.000 0.433 51 R N 0.960 121.297 120.500 -0.272 0.000 2.117 51 R HA -0.144 4.197 4.340 0.002 0.000 0.243 51 R C 2.100 178.292 176.300 -0.181 0.000 1.143 51 R CA 1.783 57.687 56.100 -0.327 0.000 0.968 51 R CB -1.144 28.851 30.300 -0.508 0.000 0.863 51 R HN 0.291 nan 8.270 nan 0.000 0.444 52 G N 0.286 109.003 108.800 -0.138 0.000 2.459 52 G HA2 -0.300 3.661 3.960 0.002 0.000 0.217 52 G HA3 -0.300 3.661 3.960 0.002 0.000 0.217 52 G C 1.424 176.291 174.900 -0.054 0.000 1.183 52 G CA 0.917 45.971 45.100 -0.078 0.000 0.776 52 G HN 0.399 nan 8.290 nan 0.000 0.552 53 K N -0.928 119.435 120.400 -0.062 0.000 2.362 53 K HA 0.057 4.378 4.320 0.002 0.000 0.200 53 K C 0.610 177.189 176.600 -0.036 0.000 1.046 53 K CA -0.060 56.201 56.287 -0.043 0.000 0.952 53 K CB -0.140 32.332 32.500 -0.048 0.000 0.753 53 K HN 0.299 nan 8.250 nan 0.000 0.466 54 C N 1.137 120.410 119.300 -0.046 0.000 2.362 54 C HA 0.283 4.744 4.460 0.002 0.000 0.363 54 C C -0.016 174.983 174.990 0.014 0.000 1.220 54 C CA -0.993 58.013 59.018 -0.020 0.000 2.379 54 C CB 0.885 28.605 27.740 -0.034 0.000 2.351 54 C HN 0.291 nan 8.230 nan 0.000 0.582 55 E N 1.428 121.654 120.200 0.043 0.000 2.063 55 E HA 0.346 4.698 4.350 0.002 0.000 0.265 55 E C -0.403 176.268 176.600 0.118 0.000 0.919 55 E CA 0.071 56.514 56.400 0.071 0.000 0.756 55 E CB 1.341 31.078 29.700 0.062 0.000 1.120 55 E HN 0.741 nan 8.360 nan 0.000 0.414 56 A N 5.068 127.981 122.820 0.155 0.000 2.444 56 A HA 0.290 4.611 4.320 0.002 0.000 0.273 56 A C 0.589 178.277 177.584 0.173 0.000 1.136 56 A CA -0.231 51.950 52.037 0.240 0.000 0.799 56 A CB -0.458 18.751 19.000 0.348 0.000 1.081 56 A HN 0.688 nan 8.150 nan 0.000 0.509 57 I N -0.534 120.131 120.570 0.158 0.000 3.062 57 I HA 0.855 5.026 4.170 0.002 0.000 0.318 57 I C 0.476 176.645 176.117 0.086 0.000 1.026 57 I CA -1.078 60.289 61.300 0.111 0.000 1.096 57 I CB 1.374 39.435 38.000 0.102 0.000 1.348 57 I HN 0.602 nan 8.210 nan 0.000 0.543 58 R N 2.057 122.593 120.500 0.060 0.000 2.368 58 R HA 0.715 5.056 4.340 0.002 0.000 0.302 58 R C -0.045 176.266 176.300 0.020 0.000 1.002 58 R CA -0.145 55.975 56.100 0.033 0.000 0.929 58 R CB 0.450 30.766 30.300 0.026 0.000 1.073 58 R HN 1.073 nan 8.270 nan 0.000 0.464 59 G N 0.358 109.155 108.800 -0.004 0.000 2.531 59 G HA2 0.715 4.676 3.960 0.002 0.000 0.313 59 G HA3 0.715 4.676 3.960 0.002 0.000 0.313 59 G C -0.251 174.635 174.900 -0.024 0.000 1.238 59 G CA -0.418 44.673 45.100 -0.015 0.000 0.994 59 G HN 1.054 nan 8.290 nan 0.000 0.493 60 R N -1.253 119.229 120.500 -0.029 0.000 2.712 60 R HA 0.406 4.747 4.340 0.002 0.000 0.272 60 R C -1.121 175.154 176.300 -0.041 0.000 1.032 60 R CA -1.050 55.029 56.100 -0.035 0.000 0.874 60 R CB 1.137 31.417 30.300 -0.034 0.000 1.256 60 R HN 0.386 nan 8.270 nan 0.000 0.468 61 K N 0.902 121.274 120.400 -0.046 0.000 2.414 61 K HA 0.288 4.609 4.320 0.002 0.000 0.272 61 K C 0.145 176.707 176.600 -0.063 0.000 0.993 61 K CA 0.290 56.544 56.287 -0.055 0.000 0.964 61 K CB 0.810 33.276 32.500 -0.056 0.000 0.925 61 K HN 0.626 nan 8.250 nan 0.000 0.487 62 A N 1.992 124.765 122.820 -0.079 0.000 2.445 62 A HA 0.120 4.441 4.320 0.002 0.000 0.242 62 A C 0.379 177.899 177.584 -0.107 0.000 1.075 62 A CA -0.321 51.660 52.037 -0.093 0.000 0.777 62 A CB 0.035 18.963 19.000 -0.120 0.000 1.013 62 A HN 0.760 nan 8.150 nan 0.000 0.493 63 T N 0.532 115.031 114.554 -0.092 0.000 2.910 63 T HA 0.364 4.715 4.350 0.002 0.000 0.293 63 T C 1.051 175.694 174.700 -0.095 0.000 1.015 63 T CA -0.588 61.462 62.100 -0.084 0.000 1.094 63 T CB 0.527 69.356 68.868 -0.066 0.000 0.968 63 T HN 0.319 nan 8.240 nan 0.000 0.521 64 L N 2.264 123.435 121.223 -0.086 0.000 2.051 64 L HA -0.043 4.298 4.340 0.002 0.000 0.214 64 L C 3.285 180.124 176.870 -0.051 0.000 1.076 64 L CA 2.698 57.491 54.840 -0.079 0.000 0.758 64 L CB -1.533 40.494 42.059 -0.053 0.000 0.890 64 L HN 1.046 nan 8.230 nan 0.000 0.433 65 E N -0.546 119.631 120.200 -0.039 0.000 2.072 65 E HA -0.244 4.108 4.350 0.002 0.000 0.191 65 E C 2.055 178.646 176.600 -0.017 0.000 0.985 65 E CA 1.448 57.835 56.400 -0.022 0.000 0.801 65 E CB -0.714 28.973 29.700 -0.021 0.000 0.750 65 E HN 0.689 nan 8.360 nan 0.000 0.452 66 E N -0.063 120.119 120.200 -0.031 0.000 2.077 66 E HA -0.055 4.296 4.350 0.002 0.000 0.193 66 E C 2.267 178.865 176.600 -0.003 0.000 0.989 66 E CA 1.099 57.489 56.400 -0.017 0.000 0.800 66 E CB -0.168 29.511 29.700 -0.035 0.000 0.746 66 E HN 0.489 nan 8.360 nan 0.000 0.452 67 L N 0.599 121.796 121.223 -0.044 0.000 2.201 67 L HA -0.184 4.157 4.340 0.002 0.000 0.212 67 L C 2.116 179.048 176.870 0.104 0.000 1.105 67 L CA 0.996 55.825 54.840 -0.018 0.000 0.775 67 L CB -0.275 41.636 42.059 -0.246 0.000 0.913 67 L HN 0.172 nan 8.230 nan 0.000 0.440 68 Q N -0.671 119.163 119.800 0.057 0.000 2.444 68 Q HA -0.089 4.252 4.340 0.002 0.000 0.206 68 Q C 2.100 178.124 176.000 0.040 0.000 0.948 68 Q CA 1.205 57.053 55.803 0.075 0.000 0.946 68 Q CB 0.096 28.863 28.738 0.048 0.000 1.027 68 Q HN 0.601 nan 8.270 nan 0.000 0.513 69 T N -3.160 111.410 114.554 0.026 0.000 2.788 69 T HA -0.096 4.255 4.350 0.002 0.000 0.268 69 T C 1.715 176.376 174.700 -0.066 0.000 1.044 69 T CA 1.287 63.384 62.100 -0.005 0.000 1.139 69 T CB -0.112 68.766 68.868 0.016 0.000 0.867 69 T HN 0.063 nan 8.240 nan 0.000 0.454 70 V N -0.053 119.814 119.914 -0.079 0.000 2.908 70 V HA 0.252 4.373 4.120 0.002 0.000 0.240 70 V C 1.097 176.990 176.094 -0.335 0.000 1.117 70 V CA 0.202 62.344 62.300 -0.263 0.000 1.133 70 V CB -0.092 31.523 31.823 -0.348 0.000 0.857 70 V HN 0.562 nan 8.190 nan 0.000 0.478 71 H N 0.243 119.334 119.070 0.036 0.000 2.615 71 H HA 0.508 5.065 4.556 0.002 0.000 0.346 71 H C 0.146 175.524 175.328 0.082 0.000 1.200 71 H CA 0.141 56.229 56.048 0.066 0.000 1.264 71 H CB 1.648 31.567 29.762 0.263 0.000 1.699 71 H HN 0.353 nan 8.280 nan 0.000 0.567 72 S N -0.373 115.469 115.700 0.236 0.000 2.592 72 S HA -0.006 4.465 4.470 0.002 0.000 0.271 72 S C 1.235 175.961 174.600 0.211 0.000 1.326 72 S CA -0.532 57.770 58.200 0.171 0.000 1.024 72 S CB 1.681 64.963 63.200 0.135 0.000 0.921 72 S HN 0.825 nan 8.310 nan 0.000 0.527 73 E N 1.856 122.133 120.200 0.129 0.000 2.058 73 E HA -0.172 4.179 4.350 0.002 0.000 0.194 73 E C 2.209 178.874 176.600 0.108 0.000 0.997 73 E CA 1.284 57.744 56.400 0.100 0.000 0.801 73 E CB -0.660 29.073 29.700 0.055 0.000 0.746 73 E HN 0.870 nan 8.360 nan 0.000 0.450 74 A N 0.478 123.361 122.820 0.106 0.000 1.903 74 A HA -0.307 4.014 4.320 0.002 0.000 0.219 74 A C 2.025 179.695 177.584 0.144 0.000 1.191 74 A CA 2.266 54.360 52.037 0.095 0.000 0.638 74 A CB -1.122 17.931 19.000 0.088 0.000 0.823 74 A HN 0.591 nan 8.150 nan 0.000 0.451 75 H N -0.529 118.631 119.070 0.150 0.000 2.357 75 H HA -0.060 4.498 4.556 0.003 0.000 0.301 75 H C 2.160 177.687 175.328 0.331 0.000 1.082 75 H CA 2.291 58.501 56.048 0.271 0.000 1.342 75 H CB -0.311 29.613 29.762 0.271 0.000 1.389 75 H HN 0.405 nan 8.280 nan 0.000 0.511 76 T N 0.957 115.672 114.554 0.269 0.000 2.708 76 T HA -0.128 4.223 4.350 0.002 0.000 0.266 76 T C 2.220 176.957 174.700 0.061 0.000 1.037 76 T CA 1.498 63.696 62.100 0.164 0.000 1.146 76 T CB -0.340 68.589 68.868 0.101 0.000 0.865 76 T HN 0.233 nan 8.240 nan 0.000 0.435 77 L N 0.259 121.499 121.223 0.028 0.000 2.056 77 L HA 0.004 4.345 4.340 0.002 0.000 0.207 77 L C 2.566 179.380 176.870 -0.094 0.000 1.078 77 L CA 0.927 55.751 54.840 -0.027 0.000 0.749 77 L CB -0.511 41.535 42.059 -0.023 0.000 0.901 77 L HN 0.237 nan 8.230 nan 0.000 0.433 78 L N -1.289 119.836 121.223 -0.164 0.000 2.017 78 L HA -0.250 4.091 4.340 0.002 0.000 0.208 78 L C 2.185 178.758 176.870 -0.495 0.000 1.073 78 L CA 1.861 56.455 54.840 -0.411 0.000 0.745 78 L CB -0.146 41.511 42.059 -0.671 0.000 0.894 78 L HN 0.267 nan 8.230 nan 0.000 0.432 79 Y N -2.167 118.064 120.300 -0.115 0.000 2.481 79 Y HA 0.164 4.715 4.550 0.001 0.000 0.258 79 Y C 2.247 178.165 175.900 0.030 0.000 1.103 79 Y CA 0.386 58.410 58.100 -0.127 0.000 1.287 79 Y CB -0.068 38.213 38.460 -0.299 0.000 1.108 79 Y HN 0.073 nan 8.280 nan 0.000 0.529 80 G N -0.271 108.649 108.800 0.200 0.000 2.494 80 G HA2 -0.063 3.898 3.960 0.002 0.000 0.216 80 G HA3 -0.063 3.898 3.960 0.002 0.000 0.216 80 G C 0.635 175.529 174.900 -0.010 0.000 1.140 80 G CA 0.284 45.425 45.100 0.069 0.000 0.801 80 G HN 0.136 nan 8.290 nan 0.000 0.536 81 T N 1.240 115.778 114.554 -0.026 0.000 2.919 81 T HA 0.206 4.557 4.350 0.002 0.000 0.302 81 T C -0.008 174.674 174.700 -0.030 0.000 1.031 81 T CA -0.385 61.692 62.100 -0.038 0.000 1.127 81 T CB 1.342 70.180 68.868 -0.051 0.000 0.952 81 T HN 0.140 nan 8.240 nan 0.000 0.540 82 N N 3.037 121.727 118.700 -0.018 0.000 2.411 82 N HA 0.224 4.965 4.740 0.002 0.000 0.259 82 N C -1.448 174.064 175.510 0.004 0.000 1.103 82 N CA -2.093 50.958 53.050 0.001 0.000 0.954 82 N CB 1.131 39.623 38.487 0.009 0.000 1.085 82 N HN 0.241 nan 8.380 nan 0.000 0.485 83 P HA -0.007 nan 4.420 nan 0.000 0.216 83 P C 0.281 177.608 177.300 0.044 0.000 1.153 83 P CA 0.894 64.002 63.100 0.014 0.000 0.844 83 P CB 0.310 32.016 31.700 0.009 0.000 0.787 116 T N -3.491 111.130 114.554 0.113 0.000 2.630 116 T HA 0.348 4.699 4.350 0.002 0.000 0.300 116 T C 1.036 175.826 174.700 0.150 0.000 1.261 116 T CA -0.627 61.557 62.100 0.141 0.000 1.060 116 T CB 0.801 69.785 68.868 0.194 0.000 1.670 116 T HN -0.065 nan 8.240 nan 0.000 0.473 117 I N -0.445 120.215 120.570 0.150 0.000 2.361 117 I HA 0.038 4.209 4.170 0.002 0.000 0.251 117 I C 1.420 177.529 176.117 -0.013 0.000 1.133 117 I CA 1.248 62.564 61.300 0.026 0.000 1.413 117 I CB -0.080 37.863 38.000 -0.095 0.000 1.073 117 I HN 0.687 nan 8.210 nan 0.000 0.424 118 W N 1.321 122.640 121.300 0.032 0.000 2.595 118 W HA -0.046 4.616 4.660 0.003 0.000 0.257 118 W C 2.698 179.249 176.519 0.054 0.000 1.267 118 W CA 1.131 58.496 57.345 0.033 0.000 1.300 118 W CB -1.554 27.916 29.460 0.016 0.000 1.120 118 W HN 0.273 nan 8.180 nan 0.000 0.618 119 N N 1.343 120.187 118.700 0.239 0.000 2.007 119 N HA -0.257 4.484 4.740 0.002 0.000 0.197 119 N C 1.495 177.106 175.510 0.169 0.000 1.050 119 N CA 2.158 55.319 53.050 0.185 0.000 0.856 119 N CB -0.962 37.610 38.487 0.141 0.000 1.050 119 N HN 0.221 nan 8.380 nan 0.000 0.423 120 E N -0.113 120.163 120.200 0.126 0.000 2.085 120 E HA -0.068 4.283 4.350 0.002 0.000 0.194 120 E C 2.205 178.811 176.600 0.010 0.000 0.994 120 E CA 0.996 57.464 56.400 0.112 0.000 0.801 120 E CB -0.487 29.296 29.700 0.138 0.000 0.743 120 E HN 0.453 nan 8.360 nan 0.000 0.453 121 V N 0.169 120.082 119.914 -0.002 0.000 2.392 121 V HA -0.289 3.832 4.120 0.002 0.000 0.249 121 V C 2.188 178.293 176.094 0.018 0.000 1.059 121 V CA 2.274 64.545 62.300 -0.047 0.000 1.051 121 V CB -0.564 31.209 31.823 -0.083 0.000 0.658 121 V HN 0.393 nan 8.190 nan 0.000 0.455 122 H N 0.300 119.385 119.070 0.024 0.000 2.363 122 H HA -0.088 4.470 4.556 0.002 0.000 0.301 122 H C 2.380 177.705 175.328 -0.005 0.000 1.074 122 H CA 1.817 57.882 56.048 0.028 0.000 1.354 122 H CB -0.118 29.682 29.762 0.064 0.000 1.397 122 H HN 0.361 nan 8.280 nan 0.000 0.516 123 S N 0.037 115.701 115.700 -0.059 0.000 2.400 123 S HA -0.157 4.315 4.470 0.002 0.000 0.232 123 S C 2.328 176.806 174.600 -0.204 0.000 1.025 123 S CA 0.846 58.996 58.200 -0.082 0.000 0.993 123 S CB -0.456 62.804 63.200 0.101 0.000 0.808 123 S HN 0.668 nan 8.310 nan 0.000 0.478 124 A N 1.472 124.041 122.820 -0.418 0.000 1.897 124 A HA 0.167 4.488 4.320 0.002 0.000 0.215 124 A C 2.337 179.807 177.584 -0.190 0.000 1.181 124 A CA 1.488 53.159 52.037 -0.610 0.000 0.620 124 A CB -1.301 17.273 19.000 -0.711 0.000 0.821 124 A HN 0.509 nan 8.150 nan 0.000 0.443 125 G N -0.492 108.210 108.800 -0.163 0.000 2.432 125 G HA2 0.044 4.005 3.960 0.002 0.000 0.219 125 G HA3 0.044 4.005 3.960 0.002 0.000 0.219 125 G C 1.683 176.499 174.900 -0.140 0.000 1.135 125 G CA 1.365 46.401 45.100 -0.106 0.000 0.767 125 G HN 0.732 nan 8.290 nan 0.000 0.550 126 A N 1.351 124.020 122.820 -0.252 0.000 1.855 126 A HA 0.303 4.624 4.320 0.002 0.000 0.215 126 A C 2.846 180.398 177.584 -0.053 0.000 1.191 126 A CA 2.180 54.092 52.037 -0.207 0.000 0.613 126 A CB -0.941 17.895 19.000 -0.273 0.000 0.829 126 A HN 0.803 nan 8.150 nan 0.000 0.442 127 A N -0.109 122.720 122.820 0.016 0.000 1.948 127 A HA -0.236 4.085 4.320 0.002 0.000 0.220 127 A C 2.237 179.965 177.584 0.240 0.000 1.177 127 A CA 2.055 54.191 52.037 0.166 0.000 0.636 127 A CB -0.533 18.607 19.000 0.234 0.000 0.815 127 A HN 0.614 nan 8.150 nan 0.000 0.449 128 R N -0.848 119.759 120.500 0.178 0.000 2.075 128 R HA -0.108 4.233 4.340 0.002 0.000 0.232 128 R C 2.018 178.302 176.300 -0.026 0.000 1.126 128 R CA 1.683 57.790 56.100 0.011 0.000 0.963 128 R CB -0.408 29.860 30.300 -0.055 0.000 0.858 128 R HN 0.424 nan 8.270 nan 0.000 0.435 129 L N 0.835 122.044 121.223 -0.023 0.000 2.093 129 L HA 0.030 4.371 4.340 0.002 0.000 0.208 129 L C 2.218 179.077 176.870 -0.018 0.000 1.085 129 L CA 1.976 56.793 54.840 -0.038 0.000 0.755 129 L CB -0.748 41.275 42.059 -0.061 0.000 0.904 129 L HN 0.274 nan 8.230 nan 0.000 0.435 130 A N -0.771 122.053 122.820 0.007 0.000 1.873 130 A HA -0.198 4.123 4.320 0.002 0.000 0.218 130 A C 2.264 179.873 177.584 0.042 0.000 1.193 130 A CA 2.352 54.406 52.037 0.028 0.000 0.629 130 A CB -1.252 17.783 19.000 0.059 0.000 0.826 130 A HN 0.302 nan 8.150 nan 0.000 0.447 131 V N -0.052 119.898 119.914 0.059 0.000 2.392 131 V HA -0.203 3.918 4.120 0.002 0.000 0.249 131 V C 2.759 178.872 176.094 0.032 0.000 1.059 131 V CA 1.971 64.306 62.300 0.059 0.000 1.051 131 V CB -1.492 30.359 31.823 0.047 0.000 0.658 131 V HN 0.647 nan 8.190 nan 0.000 0.455 132 G N -1.076 107.725 108.800 0.002 0.000 2.404 132 G HA2 -0.242 3.719 3.960 0.002 0.000 0.215 132 G HA3 -0.242 3.719 3.960 0.002 0.000 0.215 132 G C 1.735 176.642 174.900 0.012 0.000 1.174 132 G CA 1.242 46.337 45.100 -0.008 0.000 0.780 132 G HN 0.542 nan 8.290 nan 0.000 0.537 133 C N 0.066 119.374 119.300 0.013 0.000 2.413 133 C HA -0.025 4.436 4.460 0.002 0.000 0.276 133 C C 3.065 178.088 174.990 0.056 0.000 1.248 133 C CA 0.774 59.809 59.018 0.028 0.000 1.742 133 C CB -0.987 26.763 27.740 0.017 0.000 2.017 133 C HN 0.276 nan 8.230 nan 0.000 0.481 134 V N 0.569 120.516 119.914 0.055 0.000 2.427 134 V HA -0.151 3.971 4.120 0.002 0.000 0.248 134 V C 2.413 178.569 176.094 0.103 0.000 1.051 134 V CA 1.747 64.085 62.300 0.064 0.000 1.048 134 V CB -0.646 31.207 31.823 0.051 0.000 0.666 134 V HN 0.467 nan 8.190 nan 0.000 0.456 135 V N -0.361 119.621 119.914 0.114 0.000 2.295 135 V HA -0.211 3.910 4.120 0.002 0.000 0.246 135 V C 2.619 178.851 176.094 0.230 0.000 1.049 135 V CA 1.871 64.283 62.300 0.187 0.000 1.024 135 V CB -0.549 31.334 31.823 0.100 0.000 0.648 135 V HN 0.528 nan 8.190 nan 0.000 0.447 136 E N -0.214 120.058 120.200 0.120 0.000 2.072 136 E HA -0.169 4.182 4.350 0.002 0.000 0.191 136 E C 2.207 178.899 176.600 0.153 0.000 0.985 136 E CA 1.120 57.585 56.400 0.108 0.000 0.801 136 E CB -0.266 29.466 29.700 0.052 0.000 0.750 136 E HN 0.518 nan 8.360 nan 0.000 0.452 137 L N 0.602 121.904 121.223 0.131 0.000 1.994 137 L HA -0.181 4.160 4.340 0.002 0.000 0.208 137 L C 2.475 179.421 176.870 0.127 0.000 1.071 137 L CA 0.995 55.908 54.840 0.122 0.000 0.745 137 L CB -0.245 41.877 42.059 0.105 0.000 0.892 137 L HN -0.020 nan 8.230 nan 0.000 0.431 138 V N -0.235 119.756 119.914 0.128 0.000 2.332 138 V HA -0.346 3.776 4.120 0.002 0.000 0.248 138 V C 2.242 178.362 176.094 0.043 0.000 1.055 138 V CA 2.140 64.482 62.300 0.069 0.000 1.038 138 V CB -0.659 31.194 31.823 0.049 0.000 0.651 138 V HN 0.320 nan 8.190 nan 0.000 0.450 139 F N 0.285 120.258 119.950 0.038 0.000 2.186 139 F HA -0.105 4.423 4.527 0.001 0.000 0.299 139 F C 2.384 178.213 175.800 0.049 0.000 1.090 139 F CA 1.529 59.553 58.000 0.041 0.000 1.307 139 F CB -0.349 38.672 39.000 0.035 0.000 1.019 139 F HN 0.043 nan 8.300 nan 0.000 0.489 140 K N -0.258 120.274 120.400 0.220 0.000 2.097 140 K HA -0.102 4.219 4.320 0.002 0.000 0.205 140 K C 2.043 178.716 176.600 0.122 0.000 1.050 140 K CA 1.345 57.726 56.287 0.156 0.000 0.938 140 K CB -0.496 32.083 32.500 0.133 0.000 0.718 140 K HN 0.141 nan 8.250 nan 0.000 0.442 141 V N 1.205 121.174 119.914 0.091 0.000 2.379 141 V HA -0.167 3.954 4.120 0.002 0.000 0.245 141 V C 2.325 178.457 176.094 0.062 0.000 1.044 141 V CA 1.836 64.176 62.300 0.068 0.000 1.036 141 V CB -0.460 31.386 31.823 0.038 0.000 0.664 141 V HN 0.301 nan 8.190 nan 0.000 0.453 142 A N 0.746 123.574 122.820 0.014 0.000 1.972 142 A HA -0.198 4.123 4.320 0.002 0.000 0.219 142 A C 2.364 179.955 177.584 0.012 0.000 1.169 142 A CA 2.304 54.323 52.037 -0.031 0.000 0.635 142 A CB -0.772 18.129 19.000 -0.165 0.000 0.810 142 A HN 0.627 nan 8.150 nan 0.000 0.446 143 T N -5.120 109.467 114.554 0.055 0.000 3.100 143 T HA 0.420 4.771 4.350 0.002 0.000 0.253 143 T C 1.402 176.158 174.700 0.093 0.000 1.118 143 T CA 1.114 63.259 62.100 0.076 0.000 1.058 143 T CB 0.384 69.319 68.868 0.113 0.000 0.953 143 T HN 1.600 nan 8.240 nan 0.000 0.515 144 G N 1.231 110.112 108.800 0.135 0.000 2.284 144 G HA2 -0.294 3.667 3.960 0.002 0.000 0.216 144 G HA3 -0.294 3.667 3.960 0.002 0.000 0.216 144 G C 0.708 175.786 174.900 0.297 0.000 1.009 144 G CA 0.488 45.706 45.100 0.198 0.000 0.625 144 G HN 0.500 nan 8.290 nan 0.000 0.501 145 E N -0.077 120.246 120.200 0.205 0.000 2.169 145 E HA -0.077 4.274 4.350 0.002 0.000 0.202 145 E C 0.910 177.675 176.600 0.276 0.000 1.016 145 E CA 1.347 57.871 56.400 0.207 0.000 0.817 145 E CB -0.085 29.702 29.700 0.145 0.000 0.736 145 E HN 0.609 nan 8.360 nan 0.000 0.462 146 L N -1.131 120.223 121.223 0.219 0.000 2.350 146 L HA 0.291 4.632 4.340 0.002 0.000 0.260 146 L C 0.813 177.585 176.870 -0.164 0.000 1.015 146 L CA -0.817 54.041 54.840 0.030 0.000 0.821 146 L CB 1.595 43.662 42.059 0.013 0.000 1.370 146 L HN -0.230 nan 8.230 nan 0.000 0.416 147 K N 0.715 120.721 120.400 -0.657 0.000 2.005 147 K HA 0.007 4.329 4.320 0.002 0.000 0.206 147 K C 0.034 176.514 176.600 -0.201 0.000 1.044 147 K CA 1.301 57.190 56.287 -0.664 0.000 0.942 147 K CB 0.293 32.278 32.500 -0.858 0.000 0.727 147 K HN 0.831 nan 8.250 nan 0.000 0.439 148 N N -2.166 116.448 118.700 -0.143 0.000 3.204 148 N HA 0.468 5.209 4.740 0.002 0.000 0.285 148 N C -0.787 174.735 175.510 0.021 0.000 1.536 148 N CA -0.824 52.209 53.050 -0.028 0.000 0.832 148 N CB 1.417 39.904 38.487 -0.000 0.000 1.645 148 N HN 0.090 nan 8.380 nan 0.000 0.586 149 G N -1.851 106.993 108.800 0.075 0.000 2.727 149 G HA2 0.700 4.661 3.960 0.002 0.000 0.289 149 G HA3 0.700 4.661 3.960 0.002 0.000 0.289 149 G C -2.130 172.910 174.900 0.234 0.000 1.418 149 G CA -0.839 44.340 45.100 0.132 0.000 0.818 149 G HN 0.597 nan 8.290 nan 0.000 0.486 150 F N 0.256 120.261 119.950 0.092 0.000 2.749 150 F HA 0.564 5.092 4.527 0.003 0.000 0.339 150 F C -0.346 175.537 175.800 0.138 0.000 1.211 150 F CA -0.747 57.322 58.000 0.116 0.000 1.099 150 F CB 1.369 40.450 39.000 0.136 0.000 1.359 150 F HN 0.771 nan 8.300 nan 0.000 0.549 151 A N 5.575 128.418 122.820 0.038 0.000 2.316 151 A HA 0.588 4.909 4.320 0.002 0.000 0.311 151 A C -0.812 176.895 177.584 0.206 0.000 1.339 151 A CA -0.489 51.629 52.037 0.135 0.000 0.960 151 A CB 0.419 19.425 19.000 0.011 0.000 1.152 151 A HN 0.566 nan 8.150 nan 0.000 0.547 152 V N 5.108 125.305 119.914 0.471 0.000 2.223 152 V HA 0.280 4.402 4.120 0.002 0.000 0.249 152 V C 0.304 176.576 176.094 0.296 0.000 1.233 152 V CA 0.093 62.692 62.300 0.498 0.000 1.131 152 V CB -0.620 31.573 31.823 0.617 0.000 1.298 152 V HN 0.758 nan 8.190 nan 0.000 0.498 153 V N 2.958 122.967 119.914 0.159 0.000 2.914 153 V HA 1.042 5.163 4.120 0.002 0.000 0.314 153 V C -0.637 175.489 176.094 0.054 0.000 1.084 153 V CA -1.160 61.187 62.300 0.077 0.000 0.963 153 V CB 2.416 34.262 31.823 0.039 0.000 1.025 153 V HN 0.856 nan 8.190 nan 0.000 0.432 154 R N 2.403 122.927 120.500 0.039 0.000 2.680 154 R HA 0.867 5.208 4.340 0.002 0.000 0.269 154 R C -3.298 173.029 176.300 0.045 0.000 1.026 154 R CA -1.406 54.721 56.100 0.045 0.000 0.889 154 R CB 1.228 31.561 30.300 0.056 0.000 1.241 154 R HN 0.515 nan 8.270 nan 0.000 0.463 155 P HA 0.280 nan 4.420 nan 0.000 0.277 155 P C -2.354 175.003 177.300 0.096 0.000 1.276 155 P CA -1.244 61.920 63.100 0.107 0.000 0.788 155 P CB -0.342 31.459 31.700 0.168 0.000 1.114 156 P HA 0.058 nan 4.420 nan 0.000 0.271 156 P C 0.466 177.839 177.300 0.122 0.000 1.238 156 P CA 0.348 63.496 63.100 0.080 0.000 0.794 156 P CB 0.204 31.983 31.700 0.132 0.000 0.959 157 G N -1.097 107.762 108.800 0.098 0.000 2.532 157 G HA2 -0.048 3.913 3.960 0.002 0.000 0.198 157 G HA3 -0.048 3.913 3.960 0.002 0.000 0.198 157 G C 1.050 176.057 174.900 0.179 0.000 1.301 157 G CA 0.311 45.498 45.100 0.146 0.000 0.651 157 G HN 0.735 nan 8.290 nan 0.000 0.972 158 H N -1.097 117.937 119.070 -0.061 0.000 2.560 158 H HA 0.080 4.638 4.556 0.003 0.000 0.283 158 H C 1.829 177.052 175.328 -0.176 0.000 1.028 158 H CA 0.921 56.900 56.048 -0.115 0.000 1.221 158 H CB -0.072 29.615 29.762 -0.125 0.000 1.363 158 H HN 0.304 nan 8.280 nan 0.000 0.594 159 H N 1.159 120.274 119.070 0.074 0.000 2.431 159 H HA 0.319 4.876 4.556 0.001 0.000 0.295 159 H C 1.210 176.476 175.328 -0.103 0.000 1.038 159 H CA 0.568 56.550 56.048 -0.110 0.000 1.360 159 H CB -0.207 29.542 29.762 -0.022 0.000 1.433 159 H HN 0.495 nan 8.280 nan 0.000 0.536 160 A N 2.206 125.072 122.820 0.076 0.000 2.548 160 A HA 0.071 4.392 4.320 0.002 0.000 0.247 160 A C 0.437 178.036 177.584 0.026 0.000 1.067 160 A CA 0.159 52.205 52.037 0.016 0.000 0.757 160 A CB 0.099 19.126 19.000 0.044 0.000 0.996 160 A HN 0.376 nan 8.150 nan 0.000 0.504 161 E N 0.877 121.035 120.200 -0.070 0.000 2.504 161 E HA 0.158 4.509 4.350 0.002 0.000 0.253 161 E C 0.873 177.389 176.600 -0.140 0.000 1.151 161 E CA -0.591 55.732 56.400 -0.128 0.000 0.972 161 E CB 0.678 30.290 29.700 -0.147 0.000 1.247 161 E HN 0.847 nan 8.360 nan 0.000 0.519 162 E N 0.268 120.359 120.200 -0.181 0.000 2.086 162 E HA -0.230 4.121 4.350 0.002 0.000 0.205 162 E C 0.133 176.672 176.600 -0.101 0.000 1.027 162 E CA 1.888 58.188 56.400 -0.167 0.000 0.830 162 E CB 0.083 29.704 29.700 -0.132 0.000 0.751 162 E HN 0.379 nan 8.360 nan 0.000 0.456 163 S N -0.501 115.113 115.700 -0.143 0.000 2.569 163 S HA 0.294 4.765 4.470 0.002 0.000 0.215 163 S C -0.853 173.690 174.600 -0.095 0.000 1.096 163 S CA -0.765 57.354 58.200 -0.135 0.000 1.183 163 S CB 1.272 64.502 63.200 0.049 0.000 1.324 163 S HN 0.027 nan 8.310 nan 0.000 0.421 164 T N 3.786 118.203 114.554 -0.228 0.000 3.143 164 T HA 0.488 4.839 4.350 0.002 0.000 0.312 164 T C -3.344 171.236 174.700 -0.200 0.000 0.986 164 T CA -1.010 61.011 62.100 -0.131 0.000 1.024 164 T CB 2.401 71.201 68.868 -0.113 0.000 1.030 164 T HN 0.079 nan 8.240 nan 0.000 0.448 165 P HA 0.529 nan 4.420 nan 0.000 0.297 165 P C -0.881 176.193 177.300 -0.378 0.000 1.342 165 P CA -0.674 62.175 63.100 -0.418 0.000 0.801 165 P CB 0.600 31.839 31.700 -0.769 0.000 0.920 166 M N -0.422 118.991 119.600 -0.311 0.000 2.618 166 M HA 0.757 5.238 4.480 0.002 0.000 0.281 166 M C 0.289 176.446 176.300 -0.239 0.000 1.267 166 M CA -0.516 54.626 55.300 -0.264 0.000 0.845 166 M CB 1.669 34.162 32.600 -0.178 0.000 1.732 166 M HN 0.349 nan 8.290 nan 0.000 0.461 167 G N 1.021 109.605 108.800 -0.359 0.000 2.323 167 G HA2 -0.251 3.710 3.960 0.002 0.000 0.292 167 G HA3 -0.251 3.710 3.960 0.002 0.000 0.292 167 G C -0.017 174.665 174.900 -0.363 0.000 1.040 167 G CA 0.608 45.405 45.100 -0.504 0.000 0.942 167 G HN 1.345 nan 8.290 nan 0.000 0.506 168 F N -4.388 115.486 119.950 -0.127 0.000 2.871 168 F HA -0.288 4.241 4.527 0.004 0.000 0.326 168 F C 1.263 177.004 175.800 -0.098 0.000 0.675 168 F CA 0.398 58.341 58.000 -0.094 0.000 1.188 168 F CB -2.094 36.914 39.000 0.013 0.000 1.567 168 F HN 0.506 nan 8.300 nan 0.000 0.325 169 C N 0.182 119.441 119.300 -0.068 0.000 2.322 169 C HA 0.504 4.965 4.460 0.002 0.000 0.324 169 C C 1.354 176.135 174.990 -0.348 0.000 1.284 169 C CA -0.369 58.620 59.018 -0.049 0.000 1.606 169 C CB 0.453 28.255 27.740 0.103 0.000 2.251 169 C HN 0.384 nan 8.230 nan 0.000 0.502 170 Y N -0.041 120.116 120.300 -0.238 0.000 2.559 170 Y HA 0.383 4.934 4.550 0.002 0.000 0.279 170 Y C 0.382 175.748 175.900 -0.890 0.000 1.117 170 Y CA 0.438 58.137 58.100 -0.668 0.000 1.263 170 Y CB 0.432 38.375 38.460 -0.862 0.000 1.230 170 Y HN 0.564 nan 8.280 nan 0.000 0.528 171 F N -0.169 119.862 119.950 0.136 0.000 2.585 171 F HA 0.232 4.759 4.527 0.001 0.000 0.319 171 F C -0.412 175.532 175.800 0.240 0.000 1.165 171 F CA -1.214 56.855 58.000 0.114 0.000 0.949 171 F CB 1.061 40.096 39.000 0.057 0.000 1.218 171 F HN -0.258 nan 8.300 nan 0.000 0.453 172 N N 2.006 121.043 118.700 0.560 0.000 2.410 172 N HA 0.021 4.762 4.740 0.002 0.000 0.281 172 N C 0.804 176.463 175.510 0.249 0.000 1.241 172 N CA -0.086 53.145 53.050 0.301 0.000 0.998 172 N CB 0.570 39.161 38.487 0.173 0.000 1.376 172 N HN 0.602 nan 8.380 nan 0.000 0.490 173 S N 1.595 117.415 115.700 0.201 0.000 2.365 173 S HA -0.177 4.294 4.470 0.002 0.000 0.221 173 S C 1.934 176.605 174.600 0.120 0.000 1.037 173 S CA 1.128 59.415 58.200 0.146 0.000 1.060 173 S CB -0.142 63.116 63.200 0.097 0.000 0.974 173 S HN 0.436 nan 8.310 nan 0.000 0.427 174 V N 2.054 122.023 119.914 0.091 0.000 2.453 174 V HA -0.250 3.871 4.120 0.002 0.000 0.252 174 V C 2.509 178.683 176.094 0.133 0.000 1.068 174 V CA 1.707 64.052 62.300 0.075 0.000 1.070 174 V CB -1.329 30.516 31.823 0.037 0.000 0.664 174 V HN 0.549 nan 8.190 nan 0.000 0.461 175 A N -0.120 122.807 122.820 0.177 0.000 1.841 175 A HA -0.146 4.175 4.320 0.002 0.000 0.214 175 A C 2.379 180.093 177.584 0.218 0.000 1.195 175 A CA 1.955 54.149 52.037 0.261 0.000 0.611 175 A CB -0.835 18.255 19.000 0.150 0.000 0.835 175 A HN 0.297 nan 8.150 nan 0.000 0.443 176 V N 0.274 120.276 119.914 0.147 0.000 2.380 176 V HA -0.326 3.795 4.120 0.002 0.000 0.251 176 V C 3.044 179.234 176.094 0.161 0.000 1.063 176 V CA 2.104 64.482 62.300 0.130 0.000 1.055 176 V CB -1.430 30.468 31.823 0.125 0.000 0.657 176 V HN 0.644 nan 8.190 nan 0.000 0.455 177 A N 0.113 123.030 122.820 0.162 0.000 1.873 177 A HA -0.211 4.110 4.320 0.002 0.000 0.218 177 A C 2.465 180.133 177.584 0.140 0.000 1.193 177 A CA 2.511 54.649 52.037 0.168 0.000 0.629 177 A CB -0.981 18.089 19.000 0.116 0.000 0.826 177 A HN 0.623 nan 8.150 nan 0.000 0.447 178 A N -0.766 122.140 122.820 0.143 0.000 1.933 178 A HA -0.155 4.166 4.320 0.002 0.000 0.218 178 A C 2.097 179.801 177.584 0.200 0.000 1.175 178 A CA 1.860 53.973 52.037 0.127 0.000 0.628 178 A CB -0.363 18.699 19.000 0.103 0.000 0.814 178 A HN 0.381 nan 8.150 nan 0.000 0.444 179 K N -0.195 120.361 120.400 0.259 0.000 2.057 179 K HA -0.038 4.284 4.320 0.002 0.000 0.207 179 K C 1.874 178.568 176.600 0.158 0.000 1.049 179 K CA 1.208 57.613 56.287 0.197 0.000 0.931 179 K CB -0.624 31.939 32.500 0.105 0.000 0.714 179 K HN 0.573 nan 8.250 nan 0.000 0.440 180 L N 0.615 121.953 121.223 0.192 0.000 2.109 180 L HA -0.092 4.249 4.340 0.002 0.000 0.207 180 L C 2.460 179.484 176.870 0.256 0.000 1.086 180 L CA 0.577 55.581 54.840 0.273 0.000 0.760 180 L CB -0.472 41.842 42.059 0.425 0.000 0.910 180 L HN 0.068 nan 8.230 nan 0.000 0.437 181 L N -0.438 120.820 121.223 0.059 0.000 2.013 181 L HA -0.305 4.036 4.340 0.002 0.000 0.212 181 L C 2.798 179.657 176.870 -0.019 0.000 1.073 181 L CA 1.593 56.345 54.840 -0.147 0.000 0.753 181 L CB -0.546 41.401 42.059 -0.187 0.000 0.890 181 L HN 0.419 nan 8.230 nan 0.000 0.432 182 Q N -0.581 119.243 119.800 0.041 0.000 1.975 182 Q HA -0.277 4.064 4.340 0.002 0.000 0.205 182 Q C 2.241 178.278 176.000 0.062 0.000 0.990 182 Q CA 1.820 57.654 55.803 0.051 0.000 0.845 182 Q CB -0.240 28.548 28.738 0.082 0.000 0.913 182 Q HN 0.575 nan 8.270 nan 0.000 0.420 183 Q N 0.114 119.967 119.800 0.087 0.000 2.050 183 Q HA -0.128 4.213 4.340 0.002 0.000 0.202 183 Q C 1.921 177.977 176.000 0.094 0.000 0.980 183 Q CA 1.211 57.063 55.803 0.082 0.000 0.840 183 Q CB 0.004 28.792 28.738 0.083 0.000 0.898 183 Q HN 0.237 nan 8.270 nan 0.000 0.424 184 R N -0.699 119.891 120.500 0.150 0.000 2.290 184 R HA 0.200 4.541 4.340 0.002 0.000 0.197 184 R C 1.088 177.493 176.300 0.176 0.000 0.913 184 R CA 0.195 56.402 56.100 0.178 0.000 1.040 184 R CB 0.657 31.114 30.300 0.263 0.000 0.992 184 R HN 0.147 nan 8.270 nan 0.000 0.500 185 L N -0.233 121.060 121.223 0.117 0.000 3.298 185 L HA 0.214 4.555 4.340 0.002 0.000 0.296 185 L C -0.181 176.701 176.870 0.019 0.000 1.237 185 L CA -0.136 54.738 54.840 0.056 0.000 1.038 185 L CB 0.973 43.026 42.059 -0.010 0.000 1.423 185 L HN -0.028 nan 8.230 nan 0.000 0.605 186 S N 0.772 116.488 115.700 0.026 0.000 3.410 186 S HA -0.138 4.333 4.470 0.002 0.000 0.369 186 S C 0.353 174.951 174.600 -0.004 0.000 0.961 186 S CA 0.134 58.342 58.200 0.013 0.000 1.248 186 S CB -1.329 61.879 63.200 0.013 0.000 0.914 186 S HN 0.177 nan 8.310 nan 0.000 0.497 187 V N 1.663 121.568 119.914 -0.014 0.000 2.555 187 V HA 0.140 4.261 4.120 0.002 0.000 0.286 187 V C 1.339 177.423 176.094 -0.018 0.000 1.044 187 V CA 0.202 62.486 62.300 -0.027 0.000 1.026 187 V CB 1.681 33.474 31.823 -0.049 0.000 0.981 187 V HN 0.590 nan 8.190 nan 0.000 0.480 188 S N 3.199 118.882 115.700 -0.028 0.000 2.439 188 S HA 0.150 4.621 4.470 0.002 0.000 0.224 188 S C 0.543 175.120 174.600 -0.040 0.000 1.029 188 S CA 0.597 58.774 58.200 -0.038 0.000 0.946 188 S CB 0.054 63.221 63.200 -0.056 0.000 0.797 188 S HN 0.714 nan 8.310 nan 0.000 0.504 189 K N 0.936 121.319 120.400 -0.029 0.000 2.601 189 K HA 0.482 4.803 4.320 0.002 0.000 0.249 189 K C -1.618 175.056 176.600 0.123 0.000 0.966 189 K CA -0.092 56.218 56.287 0.038 0.000 0.827 189 K CB 1.953 34.316 32.500 -0.229 0.000 1.178 189 K HN 0.069 nan 8.250 nan 0.000 0.437 190 I N 3.941 124.607 120.570 0.161 0.000 2.406 190 I HA 0.283 4.454 4.170 0.002 0.000 0.290 190 I C -0.852 175.287 176.117 0.037 0.000 0.999 190 I CA -1.195 60.136 61.300 0.051 0.000 1.124 190 I CB 1.520 39.477 38.000 -0.072 0.000 1.289 190 I HN 0.330 nan 8.210 nan 0.000 0.441 191 L N 8.312 129.544 121.223 0.015 0.000 2.275 191 L HA 0.564 4.905 4.340 0.002 0.000 0.288 191 L C -0.801 175.987 176.870 -0.136 0.000 1.046 191 L CA 0.117 54.902 54.840 -0.091 0.000 0.805 191 L CB 0.890 42.919 42.059 -0.049 0.000 1.193 191 L HN 0.419 nan 8.230 nan 0.000 0.426 192 I N 6.289 126.754 120.570 -0.175 0.000 2.390 192 I HA 0.310 4.481 4.170 0.002 0.000 0.283 192 I C -0.728 175.250 176.117 -0.231 0.000 1.016 192 I CA -0.726 60.489 61.300 -0.142 0.000 1.151 192 I CB 1.589 39.580 38.000 -0.015 0.000 1.293 192 I HN 0.288 nan 8.210 nan 0.000 0.458 193 V N 5.209 124.985 119.914 -0.230 0.000 2.465 193 V HA 0.243 4.364 4.120 0.002 0.000 0.279 193 V C -0.001 175.953 176.094 -0.232 0.000 1.045 193 V CA -0.321 61.835 62.300 -0.240 0.000 0.938 193 V CB 1.631 33.349 31.823 -0.174 0.000 0.986 193 V HN 0.632 nan 8.190 nan 0.000 0.467 194 D N 4.866 125.182 120.400 -0.139 0.000 2.438 194 D HA 0.168 4.809 4.640 0.002 0.000 0.257 194 D C 0.036 176.482 176.300 0.243 0.000 1.148 194 D CA -0.560 53.444 54.000 0.007 0.000 0.902 194 D CB 0.988 41.889 40.800 0.168 0.000 1.062 194 D HN 0.665 nan 8.370 nan 0.000 0.518 195 W N 3.058 124.514 121.300 0.260 0.000 3.325 195 W HA 0.339 5.000 4.660 0.002 0.000 0.370 195 W C 0.057 176.805 176.519 0.381 0.000 1.169 195 W CA -1.225 56.362 57.345 0.404 0.000 1.874 195 W CB -1.154 28.623 29.460 0.528 0.000 1.076 195 W HN 0.103 nan 8.180 nan 0.000 0.684 196 D N 0.765 121.483 120.400 0.530 0.000 2.419 196 D HA -0.111 4.530 4.640 0.002 0.000 0.236 196 D C 1.333 177.940 176.300 0.512 0.000 1.165 196 D CA 0.479 54.724 54.000 0.408 0.000 0.882 196 D CB 1.787 42.723 40.800 0.226 0.000 1.201 196 D HN -0.075 nan 8.370 nan 0.000 0.443 197 V N 2.349 122.504 119.914 0.400 0.000 2.515 197 V HA -0.139 3.982 4.120 0.002 0.000 0.250 197 V C 0.349 176.649 176.094 0.344 0.000 1.058 197 V CA 1.706 64.192 62.300 0.310 0.000 1.064 197 V CB -0.676 31.168 31.823 0.035 0.000 0.675 197 V HN 0.563 nan 8.190 nan 0.000 0.461 198 H N -1.021 118.418 119.070 0.615 0.000 2.508 198 H HA 0.343 4.900 4.556 0.001 0.000 0.358 198 H C 0.249 175.890 175.328 0.522 0.000 1.212 198 H CA -0.241 56.194 56.048 0.646 0.000 1.356 198 H CB 0.267 30.470 29.762 0.736 0.000 1.525 198 H HN 0.405 nan 8.280 nan 0.000 0.578 199 H N 0.287 119.531 119.070 0.291 0.000 2.764 199 H HA 0.120 4.677 4.556 0.000 0.000 0.341 199 H C 0.327 175.575 175.328 -0.133 0.000 1.072 199 H CA -0.568 55.431 56.048 -0.082 0.000 1.444 199 H CB 0.572 30.120 29.762 -0.356 0.000 1.458 199 H HN 0.890 nan 8.280 nan 0.000 0.572 200 G N 4.842 113.432 108.800 -0.349 0.000 3.343 200 G HA2 -0.118 3.844 3.960 0.002 0.000 0.264 200 G HA3 -0.118 3.844 3.960 0.002 0.000 0.264 200 G C 1.095 175.561 174.900 -0.722 0.000 0.884 200 G CA -0.425 44.324 45.100 -0.584 0.000 1.916 200 G HN 0.846 nan 8.290 nan 0.000 0.618 201 N N 1.282 119.518 118.700 -0.773 0.000 2.149 201 N HA -0.139 4.602 4.740 0.002 0.000 0.188 201 N C 2.058 177.344 175.510 -0.373 0.000 1.019 201 N CA 1.530 54.227 53.050 -0.589 0.000 0.857 201 N CB -0.570 37.704 38.487 -0.356 0.000 0.997 201 N HN 0.304 nan 8.380 nan 0.000 0.426 202 G N 0.462 109.088 108.800 -0.291 0.000 2.421 202 G HA2 -0.219 3.742 3.960 0.002 0.000 0.216 202 G HA3 -0.219 3.742 3.960 0.002 0.000 0.216 202 G C 1.491 176.256 174.900 -0.225 0.000 1.171 202 G CA 1.600 46.579 45.100 -0.203 0.000 0.775 202 G HN 0.439 nan 8.290 nan 0.000 0.543 203 T N 0.250 114.658 114.554 -0.243 0.000 2.904 203 T HA -0.091 4.260 4.350 0.002 0.000 0.267 203 T C 2.246 176.664 174.700 -0.470 0.000 1.059 203 T CA 1.465 63.427 62.100 -0.231 0.000 1.137 203 T CB -0.148 68.643 68.868 -0.129 0.000 0.879 203 T HN 0.455 nan 8.240 nan 0.000 0.467 204 Q N 1.032 120.418 119.800 -0.690 0.000 2.020 204 Q HA -0.195 4.146 4.340 0.002 0.000 0.202 204 Q C 2.484 178.429 176.000 -0.093 0.000 0.982 204 Q CA 1.531 57.067 55.803 -0.445 0.000 0.838 204 Q CB -0.174 28.451 28.738 -0.188 0.000 0.899 204 Q HN 0.550 nan 8.270 nan 0.000 0.423 205 Q N -0.442 119.255 119.800 -0.172 0.000 2.096 205 Q HA -0.226 4.116 4.340 0.002 0.000 0.204 205 Q C 1.993 177.906 176.000 -0.144 0.000 0.982 205 Q CA 1.515 57.228 55.803 -0.151 0.000 0.850 205 Q CB -0.286 28.330 28.738 -0.203 0.000 0.901 205 Q HN 0.527 nan 8.270 nan 0.000 0.422 206 A N 0.080 122.751 122.820 -0.247 0.000 1.892 206 A HA -0.178 4.143 4.320 0.002 0.000 0.218 206 A C 1.132 178.346 177.584 -0.616 0.000 1.188 206 A CA 1.591 53.323 52.037 -0.508 0.000 0.631 206 A CB -0.561 18.014 19.000 -0.708 0.000 0.822 206 A HN 0.484 nan 8.150 nan 0.000 0.447 207 F N -3.456 116.465 119.950 -0.048 0.000 2.735 207 F HA 0.285 4.813 4.527 0.002 0.000 0.304 207 F C 0.992 176.812 175.800 0.034 0.000 1.119 207 F CA -0.703 57.290 58.000 -0.011 0.000 1.280 207 F CB -0.182 38.809 39.000 -0.016 0.000 0.994 207 F HN 0.274 nan 8.300 nan 0.000 0.520 208 Y N 0.846 121.173 120.300 0.045 0.000 2.680 208 Y HA -0.180 4.370 4.550 0.001 0.000 0.303 208 Y C 2.162 178.092 175.900 0.049 0.000 1.166 208 Y CA 1.262 59.390 58.100 0.045 0.000 1.344 208 Y CB 0.191 38.650 38.460 -0.002 0.000 1.002 208 Y HN 0.198 nan 8.280 nan 0.000 0.537 209 S N -2.451 113.302 115.700 0.087 0.000 2.666 209 S HA 0.087 4.558 4.470 0.002 0.000 0.239 209 S C -0.183 174.423 174.600 0.010 0.000 1.031 209 S CA -0.367 57.850 58.200 0.029 0.000 1.015 209 S CB 0.184 63.410 63.200 0.043 0.000 0.981 209 S HN 0.262 nan 8.310 nan 0.000 0.547 210 D N 3.348 123.777 120.400 0.049 0.000 2.412 210 D HA 0.365 5.006 4.640 0.002 0.000 0.224 210 D C -1.819 174.443 176.300 -0.063 0.000 1.093 210 D CA -2.231 51.788 54.000 0.032 0.000 0.850 210 D CB 1.959 42.853 40.800 0.156 0.000 1.046 210 D HN 0.081 nan 8.370 nan 0.000 0.507 211 P HA -0.065 nan 4.420 nan 0.000 0.242 211 P C 0.984 177.940 177.300 -0.573 0.000 1.197 211 P CA 0.348 62.998 63.100 -0.750 0.000 0.765 211 P CB 0.191 31.287 31.700 -1.007 0.000 0.936 212 S N -1.208 114.377 115.700 -0.192 0.000 2.496 212 S HA 0.039 4.510 4.470 0.002 0.000 0.224 212 S C 0.801 175.469 174.600 0.114 0.000 0.996 212 S CA 0.080 58.269 58.200 -0.018 0.000 0.927 212 S CB -0.591 62.601 63.200 -0.014 0.000 0.774 212 S HN -0.065 nan 8.310 nan 0.000 0.524 213 V N 3.442 123.354 119.914 -0.003 0.000 2.275 213 V HA 0.432 4.553 4.120 0.002 0.000 0.272 213 V C -0.464 175.534 176.094 -0.161 0.000 1.028 213 V CA -0.849 61.367 62.300 -0.141 0.000 0.810 213 V CB 0.912 32.414 31.823 -0.535 0.000 1.043 213 V HN 0.530 nan 8.190 nan 0.000 0.453 214 L N 6.678 127.713 121.223 -0.313 0.000 2.485 214 L HA 0.280 4.621 4.340 0.002 0.000 0.279 214 L C -0.653 176.072 176.870 -0.242 0.000 1.124 214 L CA 0.286 54.867 54.840 -0.431 0.000 0.888 214 L CB -0.296 41.052 42.059 -1.185 0.000 1.217 214 L HN 0.602 nan 8.230 nan 0.000 0.464 215 Y N 6.630 126.815 120.300 -0.193 0.000 2.326 215 Y HA 0.633 5.184 4.550 0.003 0.000 0.337 215 Y C -0.503 175.329 175.900 -0.113 0.000 1.023 215 Y CA -0.692 57.331 58.100 -0.128 0.000 1.143 215 Y CB 0.917 39.369 38.460 -0.014 0.000 1.183 215 Y HN 0.652 nan 8.280 nan 0.000 0.485 216 M N 5.128 124.268 119.600 -0.766 0.000 2.457 216 M HA 0.392 4.873 4.480 0.002 0.000 0.300 216 M C -1.028 174.869 176.300 -0.672 0.000 1.141 216 M CA -0.905 54.032 55.300 -0.605 0.000 0.901 216 M CB 2.327 34.669 32.600 -0.430 0.000 1.687 216 M HN 0.546 nan 8.290 nan 0.000 0.449 217 S N 2.933 118.447 115.700 -0.309 0.000 2.776 217 S HA 0.629 5.100 4.470 0.002 0.000 0.284 217 S C -1.583 173.113 174.600 0.160 0.000 1.160 217 S CA -0.685 57.531 58.200 0.027 0.000 1.051 217 S CB 0.639 64.044 63.200 0.341 0.000 1.037 217 S HN 0.599 nan 8.310 nan 0.000 0.485 218 L N 8.010 129.376 121.223 0.239 0.000 2.260 218 L HA 0.575 4.916 4.340 0.002 0.000 0.289 218 L C 0.587 177.734 176.870 0.462 0.000 1.057 218 L CA -0.034 54.930 54.840 0.206 0.000 0.811 218 L CB 0.436 42.726 42.059 0.385 0.000 1.184 218 L HN 0.722 nan 8.230 nan 0.000 0.429 219 H N 2.011 121.297 119.070 0.361 0.000 3.008 219 H HA 0.480 5.037 4.556 0.002 0.000 0.354 219 H C -1.070 174.575 175.328 0.529 0.000 1.252 219 H CA -1.251 55.078 56.048 0.469 0.000 1.117 219 H CB 1.410 31.413 29.762 0.400 0.000 1.857 219 H HN 0.466 nan 8.280 nan 0.000 0.547 220 R N 1.152 121.970 120.500 0.530 0.000 2.267 220 R HA 0.128 4.469 4.340 0.002 0.000 0.319 220 R C -0.654 175.885 176.300 0.399 0.000 1.067 220 R CA -0.069 56.181 56.100 0.250 0.000 0.936 220 R CB 0.285 30.224 30.300 -0.601 0.000 1.006 220 R HN 0.758 nan 8.270 nan 0.000 0.452 221 Y N 2.841 123.296 120.300 0.259 0.000 2.678 221 Y HA 0.086 4.636 4.550 -0.000 0.000 0.274 221 Y C -0.029 175.991 175.900 0.200 0.000 1.114 221 Y CA 0.003 58.280 58.100 0.294 0.000 1.274 221 Y CB 0.895 39.512 38.460 0.261 0.000 1.438 221 Y HN 0.722 nan 8.280 nan 0.000 0.493 222 D N 2.467 122.887 120.400 0.034 0.000 2.723 222 D HA -0.208 4.433 4.640 0.002 0.000 0.236 222 D C -1.056 175.088 176.300 -0.261 0.000 1.138 222 D CA 1.690 55.651 54.000 -0.066 0.000 0.676 222 D CB -1.567 39.228 40.800 -0.009 0.000 1.069 222 D HN 0.546 nan 8.370 nan 0.000 0.430 223 D N -1.016 119.066 120.400 -0.531 0.000 2.735 223 D HA -0.125 4.516 4.640 0.002 0.000 0.235 223 D C 1.237 177.173 176.300 -0.606 0.000 1.175 223 D CA 1.866 55.519 54.000 -0.580 0.000 0.683 223 D CB -1.363 39.342 40.800 -0.157 0.000 1.008 223 D HN 0.816 nan 8.370 nan 0.000 0.416 224 G N 0.727 108.857 108.800 -1.118 0.000 2.225 224 G HA2 -0.366 3.595 3.960 0.002 0.000 0.267 224 G HA3 -0.366 3.595 3.960 0.002 0.000 0.267 224 G C 0.562 175.392 174.900 -0.116 0.000 1.024 224 G CA 0.313 45.186 45.100 -0.378 0.000 0.784 224 G HN 0.511 nan 8.290 nan 0.000 0.507 225 N N -0.706 117.945 118.700 -0.081 0.000 2.389 225 N HA 0.390 5.131 4.740 0.002 0.000 0.260 225 N C -0.652 174.991 175.510 0.222 0.000 1.191 225 N CA 0.079 53.161 53.050 0.053 0.000 0.885 225 N CB 0.381 38.888 38.487 0.033 0.000 1.162 225 N HN 0.390 nan 8.380 nan 0.000 0.512 226 F N -0.200 119.777 119.950 0.046 0.000 2.664 226 F HA 0.419 4.947 4.527 0.001 0.000 0.317 226 F C -1.058 174.865 175.800 0.205 0.000 1.108 226 F CA -1.439 56.646 58.000 0.142 0.000 0.957 226 F CB 1.095 40.191 39.000 0.160 0.000 1.365 226 F HN -0.178 nan 8.300 nan 0.000 0.475 227 F N 5.359 125.009 119.950 -0.499 0.000 2.443 227 F HA 0.391 4.920 4.527 0.004 0.000 0.353 227 F C -1.634 174.251 175.800 0.141 0.000 1.101 227 F CA -1.920 55.948 58.000 -0.221 0.000 1.226 227 F CB 1.087 39.863 39.000 -0.373 0.000 1.140 227 F HN 0.225 nan 8.300 nan 0.000 0.557 228 P HA 0.210 nan 4.420 nan 0.000 0.251 228 P C 0.716 177.771 177.300 -0.408 0.000 1.223 228 P CA 1.349 63.683 63.100 -1.277 0.000 0.796 228 P CB 0.665 31.592 31.700 -1.288 0.000 1.068 229 G N -0.471 108.283 108.800 -0.077 0.000 2.352 229 G HA2 -0.207 3.754 3.960 0.002 0.000 0.204 229 G HA3 -0.207 3.754 3.960 0.002 0.000 0.204 229 G C 0.473 175.477 174.900 0.172 0.000 1.004 229 G CA 0.190 45.326 45.100 0.059 0.000 0.648 229 G HN 0.561 nan 8.290 nan 0.000 0.491 230 S N -0.024 115.749 115.700 0.121 0.000 2.641 230 S HA 0.579 5.050 4.470 0.002 0.000 0.261 230 S C 1.378 175.964 174.600 -0.022 0.000 1.257 230 S CA 0.836 59.126 58.200 0.151 0.000 0.983 230 S CB 1.493 64.808 63.200 0.193 0.000 0.990 230 S HN 2.311 nan 8.310 nan 0.000 0.572 231 G N -1.067 107.505 108.800 -0.380 0.000 2.167 231 G HA2 0.215 4.176 3.960 0.002 0.000 0.194 231 G HA3 0.215 4.176 3.960 0.002 0.000 0.194 231 G C 0.141 174.572 174.900 -0.781 0.000 1.027 231 G CA -0.275 44.188 45.100 -1.061 0.000 0.717 231 G HN 1.404 nan 8.290 nan 0.000 0.501 232 A N 0.259 122.696 122.820 -0.639 0.000 2.498 232 A HA 0.634 4.955 4.320 0.002 0.000 0.239 232 A C -0.051 177.371 177.584 -0.270 0.000 1.068 232 A CA -0.032 51.644 52.037 -0.601 0.000 0.766 232 A CB 0.464 19.400 19.000 -0.106 0.000 1.003 232 A HN 0.121 nan 8.150 nan 0.000 0.497 233 P HA -0.185 nan 4.420 nan 0.000 0.218 233 P C 1.032 178.349 177.300 0.029 0.000 1.148 233 P CA 1.595 64.662 63.100 -0.054 0.000 0.822 233 P CB 0.115 31.788 31.700 -0.046 0.000 0.784 234 D N 0.697 121.108 120.400 0.017 0.000 2.158 234 D HA -0.195 4.446 4.640 0.002 0.000 0.197 234 D C 0.255 176.598 176.300 0.072 0.000 0.995 234 D CA 0.989 55.013 54.000 0.041 0.000 0.846 234 D CB -0.872 39.957 40.800 0.048 0.000 0.941 234 D HN 0.180 nan 8.370 nan 0.000 0.456 235 E N -0.638 119.617 120.200 0.092 0.000 2.406 235 E HA 0.161 4.512 4.350 0.002 0.000 0.258 235 E C 0.573 177.299 176.600 0.210 0.000 1.043 235 E CA 0.071 56.588 56.400 0.195 0.000 0.929 235 E CB 1.179 31.003 29.700 0.206 0.000 0.969 235 E HN 0.300 nan 8.360 nan 0.000 0.462 236 V N 0.679 120.677 119.914 0.140 0.000 3.330 236 V HA 0.537 4.658 4.120 0.002 0.000 0.309 236 V C 0.665 176.666 176.094 -0.155 0.000 1.481 236 V CA 0.092 62.416 62.300 0.040 0.000 1.068 236 V CB -0.216 31.535 31.823 -0.120 0.000 0.935 236 V HN 0.780 nan 8.190 nan 0.000 0.453 237 G N -0.294 108.224 108.800 -0.469 0.000 2.498 237 G HA2 0.271 4.232 3.960 0.002 0.000 0.651 237 G HA3 0.271 4.232 3.960 0.002 0.000 0.651 237 G C -0.516 173.969 174.900 -0.691 0.000 1.284 237 G CA 0.081 44.562 45.100 -1.031 0.000 0.950 237 G HN 0.944 nan 8.290 nan 0.000 0.511 238 T N -1.353 112.925 114.554 -0.459 0.000 2.792 238 T HA 0.760 5.111 4.350 0.002 0.000 0.303 238 T C 1.179 175.851 174.700 -0.047 0.000 1.310 238 T CA 1.735 63.781 62.100 -0.091 0.000 1.007 238 T CB 0.909 69.866 68.868 0.149 0.000 1.335 238 T HN 2.828 nan 8.240 nan 0.000 0.504 239 G N 2.949 111.747 108.800 -0.003 0.000 2.634 239 G HA2 -0.225 3.737 3.960 0.002 0.000 0.309 239 G HA3 -0.225 3.737 3.960 0.002 0.000 0.309 239 G C -1.570 173.326 174.900 -0.007 0.000 1.265 239 G CA 0.531 45.633 45.100 0.002 0.000 0.998 239 G HN 0.718 nan 8.290 nan 0.000 0.551 240 P HA 0.107 nan 4.420 nan 0.000 0.220 240 P C 1.483 178.785 177.300 0.002 0.000 1.148 240 P CA 2.028 65.122 63.100 -0.009 0.000 0.803 240 P CB -0.356 31.325 31.700 -0.031 0.000 0.782 241 G N -0.427 108.367 108.800 -0.010 0.000 3.440 241 G HA2 0.198 4.159 3.960 0.002 0.000 0.263 241 G HA3 0.198 4.159 3.960 0.002 0.000 0.263 241 G C 0.064 175.019 174.900 0.092 0.000 1.236 241 G CA -0.137 44.991 45.100 0.046 0.000 0.927 241 G HN 0.101 nan 8.290 nan 0.000 0.530 242 V N 0.433 120.345 119.914 -0.003 0.000 2.637 242 V HA 0.503 4.624 4.120 0.002 0.000 0.296 242 V C 1.591 177.421 176.094 -0.440 0.000 1.046 242 V CA 1.416 63.562 62.300 -0.256 0.000 1.066 242 V CB 0.895 32.527 31.823 -0.319 0.000 0.968 242 V HN 0.715 nan 8.190 nan 0.000 0.483 243 G N 4.379 112.783 108.800 -0.660 0.000 2.258 243 G HA2 -0.283 3.678 3.960 0.002 0.000 0.233 243 G HA3 -0.283 3.678 3.960 0.002 0.000 0.233 243 G C 0.313 175.182 174.900 -0.052 0.000 1.006 243 G CA 0.389 45.138 45.100 -0.586 0.000 0.620 243 G HN 0.635 nan 8.290 nan 0.000 0.511 244 F N 1.708 121.724 119.950 0.110 0.000 2.645 244 F HA 0.412 4.939 4.527 0.000 0.000 0.300 244 F C 1.023 176.851 175.800 0.048 0.000 1.115 244 F CA -0.087 58.012 58.000 0.165 0.000 1.355 244 F CB 0.534 39.584 39.000 0.082 0.000 1.026 244 F HN 0.145 nan 8.300 nan 0.000 0.536 245 N N 1.161 119.970 118.700 0.182 0.000 2.491 245 N HA 0.305 5.046 4.740 0.002 0.000 0.274 245 N C -1.699 173.905 175.510 0.157 0.000 1.023 245 N CA 0.024 53.181 53.050 0.179 0.000 0.902 245 N CB 1.803 40.370 38.487 0.134 0.000 1.267 245 N HN -0.176 nan 8.380 nan 0.000 0.503 246 V N 3.859 123.747 119.914 -0.043 0.000 2.350 246 V HA 0.321 4.442 4.120 0.002 0.000 0.285 246 V C -0.008 176.023 176.094 -0.105 0.000 1.014 246 V CA -0.855 61.280 62.300 -0.275 0.000 0.831 246 V CB 0.834 32.251 31.823 -0.676 0.000 1.000 246 V HN 0.567 nan 8.190 nan 0.000 0.433 247 N N 4.474 123.184 118.700 0.017 0.000 2.521 247 N HA 0.282 5.023 4.740 0.002 0.000 0.236 247 N C 0.001 175.400 175.510 -0.186 0.000 1.067 247 N CA -0.641 52.420 53.050 0.019 0.000 0.939 247 N CB 0.759 39.274 38.487 0.046 0.000 1.201 247 N HN 0.608 nan 8.380 nan 0.000 0.511 248 M N 3.672 123.090 119.600 -0.302 0.000 2.869 248 M HA 0.191 4.672 4.480 0.002 0.000 0.299 248 M C -0.669 175.145 176.300 -0.811 0.000 1.508 248 M CA -0.569 54.435 55.300 -0.494 0.000 1.551 248 M CB -0.721 31.613 32.600 -0.443 0.000 1.384 248 M HN 0.371 nan 8.290 nan 0.000 0.491 249 A N 5.214 127.613 122.820 -0.702 0.000 2.253 249 A HA 0.574 4.896 4.320 0.002 0.000 0.316 249 A C -0.945 176.421 177.584 -0.363 0.000 1.327 249 A CA -0.569 51.062 52.037 -0.678 0.000 0.917 249 A CB -0.108 18.647 19.000 -0.409 0.000 1.162 249 A HN 0.701 nan 8.150 nan 0.000 0.535 250 F N 2.256 122.164 119.950 -0.069 0.000 2.472 250 F HA 0.349 4.877 4.527 0.003 0.000 0.364 250 F C 0.938 176.817 175.800 0.132 0.000 1.090 250 F CA 0.743 58.760 58.000 0.029 0.000 1.188 250 F CB 1.399 40.436 39.000 0.062 0.000 1.105 250 F HN 0.498 nan 8.300 nan 0.000 0.536 251 T N 1.141 115.864 114.554 0.281 0.000 2.908 251 T HA 0.631 4.982 4.350 0.002 0.000 0.290 251 T C 0.523 175.308 174.700 0.143 0.000 1.034 251 T CA -0.301 61.914 62.100 0.192 0.000 1.010 251 T CB 1.747 70.709 68.868 0.156 0.000 1.068 251 T HN 0.854 nan 8.240 nan 0.000 0.481 252 G N 0.358 109.216 108.800 0.096 0.000 2.164 252 G HA2 0.340 4.302 3.960 0.002 0.000 0.154 252 G HA3 0.340 4.302 3.960 0.002 0.000 0.154 252 G C 0.686 175.624 174.900 0.064 0.000 1.014 252 G CA 0.179 45.320 45.100 0.069 0.000 0.683 252 G HN 1.701 nan 8.290 nan 0.000 0.500 253 G N -0.398 108.447 108.800 0.075 0.000 2.552 253 G HA2 -0.115 3.846 3.960 0.002 0.000 0.265 253 G HA3 -0.115 3.846 3.960 0.002 0.000 0.265 253 G C 0.346 175.302 174.900 0.093 0.000 1.234 253 G CA 0.129 45.269 45.100 0.067 0.000 0.944 253 G HN 1.261 nan 8.290 nan 0.000 0.568 254 L N 0.724 121.993 121.223 0.076 0.000 3.047 254 L HA 0.449 4.790 4.340 0.002 0.000 0.242 254 L C -0.055 176.844 176.870 0.048 0.000 1.315 254 L CA 0.044 54.935 54.840 0.086 0.000 1.042 254 L CB 0.604 42.715 42.059 0.087 0.000 1.420 254 L HN 0.471 nan 8.230 nan 0.000 0.517 255 D N 1.370 121.788 120.400 0.030 0.000 2.613 255 D HA 0.256 4.897 4.640 0.002 0.000 0.312 255 D C -2.224 174.074 176.300 -0.002 0.000 1.202 255 D CA -1.293 52.716 54.000 0.015 0.000 0.825 255 D CB 1.327 42.139 40.800 0.019 0.000 1.113 255 D HN 0.051 nan 8.370 nan 0.000 0.502 256 P HA 0.481 nan 4.420 nan 0.000 0.297 256 P C -2.810 174.476 177.300 -0.023 0.000 1.307 256 P CA -1.725 61.365 63.100 -0.017 0.000 0.773 256 P CB 0.045 31.724 31.700 -0.034 0.000 1.265 257 P HA 0.134 nan 4.420 nan 0.000 0.268 257 P C 0.018 177.203 177.300 -0.192 0.000 1.204 257 P CA 0.305 63.416 63.100 0.018 0.000 0.768 257 P CB 0.024 31.779 31.700 0.092 0.000 0.842 258 M N 2.323 121.576 119.600 -0.578 0.000 2.238 258 M HA 0.303 4.784 4.480 0.002 0.000 0.350 258 M C 1.034 177.038 176.300 -0.492 0.000 1.321 258 M CA 0.606 55.419 55.300 -0.812 0.000 1.097 258 M CB -0.366 31.242 32.600 -1.653 0.000 1.713 258 M HN 0.475 nan 8.290 nan 0.000 0.455 259 G N 2.029 110.648 108.800 -0.302 0.000 3.251 259 G HA2 0.397 4.358 3.960 0.002 0.000 0.248 259 G HA3 0.397 4.358 3.960 0.002 0.000 0.248 259 G C 0.189 174.986 174.900 -0.173 0.000 1.320 259 G CA -0.418 44.561 45.100 -0.202 0.000 0.982 259 G HN 0.562 nan 8.290 nan 0.000 0.575 260 D N 0.181 120.470 120.400 -0.186 0.000 2.103 260 D HA -0.170 4.471 4.640 0.002 0.000 0.190 260 D C 2.761 178.969 176.300 -0.154 0.000 0.997 260 D CA 1.853 55.725 54.000 -0.212 0.000 0.833 260 D CB -0.617 40.049 40.800 -0.223 0.000 0.961 260 D HN 0.366 nan 8.370 nan 0.000 0.447 261 A N 1.015 123.753 122.820 -0.136 0.000 1.927 261 A HA -0.267 4.054 4.320 0.002 0.000 0.220 261 A C 2.130 179.670 177.584 -0.073 0.000 1.185 261 A CA 2.097 54.070 52.037 -0.106 0.000 0.639 261 A CB -0.615 18.327 19.000 -0.096 0.000 0.820 261 A HN 0.135 nan 8.150 nan 0.000 0.451 262 E N -1.255 118.894 120.200 -0.085 0.000 2.051 262 E HA -0.153 4.198 4.350 0.002 0.000 0.192 262 E C 1.771 178.361 176.600 -0.016 0.000 0.991 262 E CA 1.594 57.940 56.400 -0.090 0.000 0.799 262 E CB -0.445 29.103 29.700 -0.253 0.000 0.748 262 E HN 0.803 nan 8.360 nan 0.000 0.449 263 Y N 0.106 120.318 120.300 -0.148 0.000 2.220 263 Y HA -0.081 4.470 4.550 0.002 0.000 0.291 263 Y C 2.069 177.922 175.900 -0.078 0.000 1.129 263 Y CA 0.781 58.841 58.100 -0.065 0.000 1.161 263 Y CB -0.058 38.263 38.460 -0.232 0.000 0.997 263 Y HN -0.014 nan 8.280 nan 0.000 0.522 264 L N -0.866 120.346 121.223 -0.017 0.000 2.079 264 L HA -0.301 4.040 4.340 0.002 0.000 0.210 264 L C 2.660 179.553 176.870 0.038 0.000 1.081 264 L CA 1.108 55.915 54.840 -0.054 0.000 0.752 264 L CB -0.743 41.241 42.059 -0.124 0.000 0.896 264 L HN 0.261 nan 8.230 nan 0.000 0.433 265 A N -0.023 122.811 122.820 0.023 0.000 1.865 265 A HA -0.233 4.088 4.320 0.002 0.000 0.217 265 A C 2.543 180.164 177.584 0.063 0.000 1.191 265 A CA 1.881 53.937 52.037 0.033 0.000 0.623 265 A CB -0.909 18.098 19.000 0.011 0.000 0.826 265 A HN 0.411 nan 8.150 nan 0.000 0.444 266 A N -1.396 121.470 122.820 0.077 0.000 1.948 266 A HA -0.106 4.216 4.320 0.002 0.000 0.220 266 A C 1.980 179.643 177.584 0.132 0.000 1.177 266 A CA 1.845 53.916 52.037 0.056 0.000 0.636 266 A CB -0.742 18.269 19.000 0.018 0.000 0.815 266 A HN 0.461 nan 8.150 nan 0.000 0.449 267 F N -0.353 119.581 119.950 -0.026 0.000 2.084 267 F HA -0.089 4.439 4.527 0.002 0.000 0.296 267 F C 2.432 178.218 175.800 -0.022 0.000 1.111 267 F CA 1.556 59.551 58.000 -0.007 0.000 1.224 267 F CB -0.675 38.348 39.000 0.038 0.000 0.991 267 F HN 0.230 nan 8.300 nan 0.000 0.471 268 R N -0.170 120.437 120.500 0.179 0.000 2.103 268 R HA -0.199 4.142 4.340 0.002 0.000 0.242 268 R C 1.946 178.254 176.300 0.013 0.000 1.142 268 R CA 2.321 58.469 56.100 0.080 0.000 0.960 268 R CB -0.461 29.878 30.300 0.065 0.000 0.858 268 R HN 0.458 nan 8.270 nan 0.000 0.439 269 T N -4.189 110.362 114.554 -0.005 0.000 3.015 269 T HA 0.175 4.526 4.350 0.002 0.000 0.250 269 T C 1.471 176.118 174.700 -0.088 0.000 1.057 269 T CA 0.371 62.448 62.100 -0.038 0.000 1.066 269 T CB 0.733 69.582 68.868 -0.031 0.000 0.959 269 T HN 0.070 nan 8.240 nan 0.000 0.488 270 V N 0.046 119.882 119.914 -0.129 0.000 3.278 270 V HA 0.162 4.284 4.120 0.002 0.000 0.215 270 V C 2.496 178.408 176.094 -0.304 0.000 1.287 270 V CA 0.281 62.453 62.300 -0.213 0.000 1.302 270 V CB 0.108 31.796 31.823 -0.225 0.000 1.228 270 V HN 0.220 nan 8.190 nan 0.000 0.523 271 V N 0.678 120.391 119.914 -0.336 0.000 2.219 271 V HA -0.332 3.789 4.120 0.002 0.000 0.248 271 V C 2.549 178.376 176.094 -0.445 0.000 1.053 271 V CA 2.550 64.558 62.300 -0.487 0.000 1.009 271 V CB -0.632 30.678 31.823 -0.854 0.000 0.636 271 V HN 0.400 nan 8.190 nan 0.000 0.445 272 M N -1.040 118.329 119.600 -0.384 0.000 2.156 272 M HA -0.023 4.458 4.480 0.002 0.000 0.264 272 M C 0.183 176.383 176.300 -0.167 0.000 1.067 272 M CA 1.773 56.925 55.300 -0.248 0.000 1.131 272 M CB -2.441 30.076 32.600 -0.139 0.000 1.368 272 M HN 0.270 nan 8.290 nan 0.000 0.416 273 P HA -0.142 nan 4.420 nan 0.000 0.214 273 P C 1.783 178.990 177.300 -0.156 0.000 1.163 273 P CA 1.467 64.498 63.100 -0.115 0.000 0.889 273 P CB -0.159 31.476 31.700 -0.107 0.000 0.790 274 I N -1.117 119.261 120.570 -0.319 0.000 2.286 274 I HA -0.199 3.972 4.170 0.002 0.000 0.245 274 I C 2.348 178.223 176.117 -0.403 0.000 1.104 274 I CA 1.310 62.267 61.300 -0.572 0.000 1.397 274 I CB -0.779 36.598 38.000 -1.038 0.000 1.072 274 I HN -0.103 nan 8.210 nan 0.000 0.417 275 A N 0.241 122.878 122.820 -0.304 0.000 1.902 275 A HA -0.184 4.137 4.320 0.002 0.000 0.217 275 A C 2.489 180.093 177.584 0.034 0.000 1.181 275 A CA 2.195 54.150 52.037 -0.137 0.000 0.623 275 A CB -0.645 18.248 19.000 -0.180 0.000 0.818 275 A HN 0.386 nan 8.150 nan 0.000 0.443 276 S N -0.721 114.974 115.700 -0.007 0.000 2.355 276 S HA -0.153 4.318 4.470 0.002 0.000 0.222 276 S C 1.947 176.598 174.600 0.086 0.000 1.031 276 S CA 1.305 59.526 58.200 0.036 0.000 0.993 276 S CB -0.319 62.887 63.200 0.011 0.000 0.859 276 S HN 0.768 nan 8.310 nan 0.000 0.453 277 E N 0.715 120.980 120.200 0.109 0.000 2.033 277 E HA -0.248 4.103 4.350 0.002 0.000 0.199 277 E C 1.871 178.637 176.600 0.277 0.000 1.011 277 E CA 1.511 58.027 56.400 0.194 0.000 0.815 277 E CB -0.340 29.527 29.700 0.279 0.000 0.755 277 E HN 0.463 nan 8.360 nan 0.000 0.451 278 F N 1.069 121.149 119.950 0.218 0.000 2.126 278 F HA -0.083 4.446 4.527 0.002 0.000 0.299 278 F C 0.776 176.663 175.800 0.145 0.000 1.096 278 F CA 1.556 59.724 58.000 0.281 0.000 1.255 278 F CB -0.344 38.807 39.000 0.252 0.000 0.997 278 F HN 0.172 nan 8.300 nan 0.000 0.479 279 A N 0.569 123.484 122.820 0.158 0.000 1.848 279 A HA -0.136 4.185 4.320 0.002 0.000 0.241 279 A C -2.546 174.997 177.584 -0.068 0.000 1.341 279 A CA 0.305 52.358 52.037 0.027 0.000 0.706 279 A CB -2.410 16.580 19.000 -0.016 0.000 1.189 279 A HN 0.357 nan 8.150 nan 0.000 0.259 280 P HA 0.509 nan 4.420 nan 0.000 0.283 280 P C 0.127 177.441 177.300 0.024 0.000 1.278 280 P CA -0.342 62.806 63.100 0.080 0.000 0.834 280 P CB 0.966 32.826 31.700 0.266 0.000 1.150 281 D N -0.821 119.585 120.400 0.010 0.000 2.216 281 D HA 0.071 4.712 4.640 0.002 0.000 0.208 281 D C 0.246 176.547 176.300 0.002 0.000 0.960 281 D CA 1.203 55.201 54.000 -0.004 0.000 0.861 281 D CB 0.382 41.170 40.800 -0.021 0.000 0.985 281 D HN 0.110 nan 8.370 nan 0.000 0.493 282 V N 1.351 121.268 119.914 0.005 0.000 2.686 282 V HA 0.294 4.415 4.120 0.002 0.000 0.306 282 V C -0.210 175.878 176.094 -0.010 0.000 1.065 282 V CA -0.946 61.347 62.300 -0.013 0.000 0.894 282 V CB 2.827 34.622 31.823 -0.048 0.000 1.004 282 V HN -0.270 nan 8.190 nan 0.000 0.424 283 V N 5.703 125.607 119.914 -0.017 0.000 2.347 283 V HA 0.465 4.586 4.120 0.002 0.000 0.280 283 V C -0.240 175.816 176.094 -0.063 0.000 1.021 283 V CA -0.339 61.938 62.300 -0.037 0.000 0.847 283 V CB 1.414 33.224 31.823 -0.022 0.000 0.990 283 V HN 0.651 nan 8.190 nan 0.000 0.444 284 L N 5.962 127.132 121.223 -0.089 0.000 2.298 284 L HA 0.557 4.898 4.340 0.002 0.000 0.284 284 L C -0.520 176.253 176.870 -0.161 0.000 1.013 284 L CA -0.679 54.097 54.840 -0.105 0.000 0.824 284 L CB 1.786 43.797 42.059 -0.079 0.000 1.221 284 L HN 0.329 nan 8.230 nan 0.000 0.418 285 V N 2.139 121.915 119.914 -0.230 0.000 2.370 285 V HA 0.149 4.270 4.120 0.002 0.000 0.279 285 V C 0.673 176.533 176.094 -0.390 0.000 1.029 285 V CA -0.273 61.789 62.300 -0.396 0.000 0.870 285 V CB 1.571 33.022 31.823 -0.620 0.000 0.984 285 V HN 0.752 nan 8.190 nan 0.000 0.451 286 S N 3.501 119.001 115.700 -0.333 0.000 3.517 286 S HA 0.020 4.492 4.470 0.002 0.000 0.284 286 S C 0.787 175.120 174.600 -0.445 0.000 1.260 286 S CA 0.121 58.142 58.200 -0.298 0.000 0.975 286 S CB -0.008 63.111 63.200 -0.134 0.000 1.540 286 S HN 0.791 nan 8.310 nan 0.000 0.506 287 S N 3.874 119.269 115.700 -0.509 0.000 3.869 287 S HA 0.379 4.850 4.470 0.002 0.000 0.241 287 S C 0.651 174.949 174.600 -0.502 0.000 1.363 287 S CA -0.822 57.095 58.200 -0.471 0.000 0.894 287 S CB -0.584 62.434 63.200 -0.302 0.000 1.519 287 S HN 0.702 nan 8.310 nan 0.000 0.470 288 G N 2.387 111.054 108.800 -0.221 0.000 2.377 288 G HA2 0.529 4.490 3.960 0.002 0.000 0.299 288 G HA3 0.529 4.490 3.960 0.002 0.000 0.299 288 G C -0.207 174.573 174.900 -0.200 0.000 1.150 288 G CA -0.727 44.195 45.100 -0.298 0.000 0.847 288 G HN 0.734 nan 8.290 nan 0.000 0.501 289 F N 0.625 120.498 119.950 -0.128 0.000 2.850 289 F HA 0.147 4.675 4.527 0.002 0.000 0.306 289 F C 0.855 176.509 175.800 -0.243 0.000 1.162 289 F CA -0.780 57.039 58.000 -0.302 0.000 1.327 289 F CB 0.886 39.716 39.000 -0.283 0.000 0.953 289 F HN 0.490 nan 8.300 nan 0.000 0.507 290 D N -0.126 120.207 120.400 -0.110 0.000 2.340 290 D HA 0.001 4.642 4.640 0.002 0.000 0.220 290 D C 1.770 177.929 176.300 -0.236 0.000 1.039 290 D CA 0.328 54.044 54.000 -0.474 0.000 0.866 290 D CB -0.046 40.709 40.800 -0.076 0.000 0.913 290 D HN 0.210 nan 8.370 nan 0.000 0.523 291 A N 0.415 123.264 122.820 0.049 0.000 2.119 291 A HA 0.161 4.482 4.320 0.002 0.000 0.216 291 A C 1.168 178.863 177.584 0.186 0.000 1.152 291 A CA -0.021 52.109 52.037 0.155 0.000 0.708 291 A CB -0.232 18.874 19.000 0.177 0.000 0.805 291 A HN 0.154 nan 8.150 nan 0.000 0.460 292 V N 0.721 120.775 119.914 0.233 0.000 3.096 292 V HA 0.025 4.146 4.120 0.002 0.000 0.306 292 V C 0.673 176.954 176.094 0.311 0.000 1.088 292 V CA -0.353 62.106 62.300 0.264 0.000 1.129 292 V CB 0.768 32.726 31.823 0.226 0.000 1.014 292 V HN 0.646 nan 8.190 nan 0.000 0.486 293 E N 1.472 121.771 120.200 0.165 0.000 2.376 293 E HA 0.388 4.739 4.350 0.002 0.000 0.266 293 E C 0.850 177.489 176.600 0.066 0.000 1.009 293 E CA 0.826 57.294 56.400 0.114 0.000 0.902 293 E CB 0.258 29.985 29.700 0.044 0.000 0.972 293 E HN 0.995 nan 8.360 nan 0.000 0.439 294 G N 3.742 112.569 108.800 0.045 0.000 2.154 294 G HA2 -0.192 3.769 3.960 0.002 0.000 0.186 294 G HA3 -0.192 3.769 3.960 0.002 0.000 0.186 294 G C -0.746 174.043 174.900 -0.185 0.000 1.000 294 G CA -0.101 44.957 45.100 -0.070 0.000 0.664 294 G HN 0.687 nan 8.290 nan 0.000 0.513 295 H N 1.664 120.798 119.070 0.107 0.000 2.541 295 H HA 0.499 5.056 4.556 0.002 0.000 0.316 295 H C -1.781 173.616 175.328 0.115 0.000 1.043 295 H CA -1.286 54.843 56.048 0.135 0.000 1.232 295 H CB 1.595 31.468 29.762 0.184 0.000 1.406 295 H HN 0.190 nan 8.280 nan 0.000 0.469 296 P HA -0.047 nan 4.420 nan 0.000 0.274 296 P C 0.831 178.225 177.300 0.156 0.000 1.264 296 P CA -0.276 62.905 63.100 0.135 0.000 0.795 296 P CB 0.879 32.638 31.700 0.099 0.000 1.064 297 T N 1.087 115.717 114.554 0.127 0.000 2.565 297 T HA -0.115 4.236 4.350 0.002 0.000 0.265 297 T C -0.787 174.036 174.700 0.206 0.000 1.082 297 T CA 2.971 65.153 62.100 0.137 0.000 1.173 297 T CB -1.735 67.201 68.868 0.112 0.000 0.864 297 T HN 0.562 nan 8.240 nan 0.000 0.425 298 P HA 0.143 nan 4.420 nan 0.000 0.216 298 P C 0.812 178.244 177.300 0.220 0.000 1.156 298 P CA 0.790 64.014 63.100 0.207 0.000 0.855 298 P CB -0.145 31.615 31.700 0.100 0.000 0.786 299 L N -0.804 120.531 121.223 0.188 0.000 2.968 299 L HA 0.490 4.831 4.340 0.002 0.000 0.235 299 L C 1.158 178.235 176.870 0.345 0.000 1.323 299 L CA -0.059 54.911 54.840 0.217 0.000 1.159 299 L CB -0.511 41.599 42.059 0.085 0.000 1.523 299 L HN 0.155 nan 8.230 nan 0.000 0.468 300 G N -1.669 107.354 108.800 0.372 0.000 2.563 300 G HA2 0.397 4.358 3.960 0.002 0.000 0.068 300 G HA3 0.397 4.358 3.960 0.002 0.000 0.068 300 G C 0.319 175.285 174.900 0.110 0.000 1.001 300 G CA 0.353 45.611 45.100 0.262 0.000 1.188 300 G HN 0.189 nan 8.290 nan 0.000 0.512 301 G N -1.439 107.407 108.800 0.077 0.000 2.796 301 G HA2 -0.075 3.886 3.960 0.002 0.000 0.198 301 G HA3 -0.075 3.886 3.960 0.002 0.000 0.198 301 G C 0.413 175.362 174.900 0.081 0.000 1.062 301 G CA 0.325 45.409 45.100 -0.027 0.000 0.752 301 G HN 0.913 nan 8.290 nan 0.000 0.487 302 Y N 1.320 121.645 120.300 0.042 0.000 2.480 302 Y HA 0.539 5.090 4.550 0.002 0.000 0.323 302 Y C 0.567 176.477 175.900 0.017 0.000 1.267 302 Y CA -0.497 57.601 58.100 -0.004 0.000 1.336 302 Y CB 1.186 39.622 38.460 -0.040 0.000 1.361 302 Y HN 0.280 nan 8.280 nan 0.000 0.518 303 N N 0.945 119.732 118.700 0.145 0.000 2.765 303 N HA 0.169 4.910 4.740 0.002 0.000 0.277 303 N C -1.679 173.816 175.510 -0.025 0.000 1.750 303 N CA -0.106 52.980 53.050 0.059 0.000 0.827 303 N CB -0.118 38.388 38.487 0.032 0.000 1.200 303 N HN 0.446 nan 8.380 nan 0.000 0.494 304 L N 1.162 122.363 121.223 -0.037 0.000 2.371 304 L HA 0.316 4.658 4.340 0.002 0.000 0.272 304 L C 1.094 177.938 176.870 -0.045 0.000 1.124 304 L CA -0.345 54.417 54.840 -0.129 0.000 0.816 304 L CB 1.196 43.115 42.059 -0.234 0.000 1.129 304 L HN 0.430 nan 8.230 nan 0.000 0.448 305 S N 1.483 117.128 115.700 -0.092 0.000 2.593 305 S HA 0.272 4.743 4.470 0.002 0.000 0.269 305 S C 1.038 175.630 174.600 -0.014 0.000 1.334 305 S CA -0.121 58.045 58.200 -0.057 0.000 1.015 305 S CB 1.549 64.697 63.200 -0.087 0.000 0.912 305 S HN 0.700 nan 8.310 nan 0.000 0.541 306 A N 1.908 124.720 122.820 -0.012 0.000 1.873 306 A HA -0.061 4.261 4.320 0.002 0.000 0.215 306 A C 2.266 179.840 177.584 -0.018 0.000 1.186 306 A CA 1.398 53.421 52.037 -0.023 0.000 0.616 306 A CB -0.924 18.009 19.000 -0.111 0.000 0.823 306 A HN 0.942 nan 8.150 nan 0.000 0.442 307 R N -0.752 119.724 120.500 -0.041 0.000 2.196 307 R HA -0.293 4.048 4.340 0.002 0.000 0.259 307 R C 2.350 178.638 176.300 -0.020 0.000 1.154 307 R CA 2.075 58.161 56.100 -0.024 0.000 0.976 307 R CB -0.982 29.295 30.300 -0.039 0.000 0.888 307 R HN 0.677 nan 8.270 nan 0.000 0.453 308 C N -0.271 118.956 119.300 -0.122 0.000 2.429 308 C HA -0.102 4.359 4.460 0.002 0.000 0.277 308 C C 2.414 177.215 174.990 -0.315 0.000 1.262 308 C CA 0.642 59.507 59.018 -0.254 0.000 1.733 308 C CB -1.323 26.165 27.740 -0.420 0.000 2.010 308 C HN 0.562 nan 8.230 nan 0.000 0.483 309 F N 1.427 121.186 119.950 -0.318 0.000 2.216 309 F HA 0.054 4.582 4.527 0.001 0.000 0.300 309 F C 2.504 178.177 175.800 -0.212 0.000 1.085 309 F CA 1.608 59.340 58.000 -0.447 0.000 1.326 309 F CB -0.815 37.880 39.000 -0.508 0.000 1.027 309 F HN 0.380 nan 8.300 nan 0.000 0.497 310 G N -0.994 107.843 108.800 0.062 0.000 2.480 310 G HA2 -0.323 3.638 3.960 0.002 0.000 0.216 310 G HA3 -0.323 3.638 3.960 0.002 0.000 0.216 310 G C 1.436 176.375 174.900 0.065 0.000 1.200 310 G CA 0.821 45.968 45.100 0.078 0.000 0.782 310 G HN 0.290 nan 8.290 nan 0.000 0.554 311 Y N 0.831 121.086 120.300 -0.074 0.000 2.139 311 Y HA -0.150 4.401 4.550 0.002 0.000 0.282 311 Y C 2.861 178.720 175.900 -0.068 0.000 1.179 311 Y CA 1.440 59.494 58.100 -0.078 0.000 1.161 311 Y CB -0.155 38.224 38.460 -0.135 0.000 0.970 311 Y HN 0.077 nan 8.280 nan 0.000 0.511 312 L N -1.436 119.764 121.223 -0.038 0.000 2.093 312 L HA -0.212 4.129 4.340 0.002 0.000 0.208 312 L C 2.208 179.294 176.870 0.360 0.000 1.085 312 L CA 1.681 56.466 54.840 -0.092 0.000 0.755 312 L CB -1.088 40.598 42.059 -0.621 0.000 0.904 312 L HN 0.246 nan 8.230 nan 0.000 0.435 313 T N -0.153 114.618 114.554 0.361 0.000 2.643 313 T HA -0.221 4.130 4.350 0.002 0.000 0.264 313 T C 2.380 177.237 174.700 0.262 0.000 1.045 313 T CA 2.036 64.400 62.100 0.439 0.000 1.155 313 T CB -0.504 68.593 68.868 0.381 0.000 0.863 313 T HN 0.415 nan 8.240 nan 0.000 0.420 314 K N 1.596 122.080 120.400 0.140 0.000 2.089 314 K HA -0.244 4.077 4.320 0.002 0.000 0.210 314 K C 2.187 178.842 176.600 0.092 0.000 1.048 314 K CA 2.041 58.357 56.287 0.049 0.000 0.926 314 K CB -1.276 31.158 32.500 -0.110 0.000 0.714 314 K HN 0.619 nan 8.250 nan 0.000 0.448 315 Q N -0.539 119.363 119.800 0.170 0.000 2.049 315 Q HA 0.089 4.430 4.340 0.002 0.000 0.198 315 Q C 2.401 178.532 176.000 0.218 0.000 0.971 315 Q CA 1.271 57.205 55.803 0.219 0.000 0.833 315 Q CB -0.151 28.802 28.738 0.359 0.000 0.896 315 Q HN 0.559 nan 8.270 nan 0.000 0.434 316 L N 0.234 121.640 121.223 0.305 0.000 2.187 316 L HA -0.183 4.158 4.340 0.002 0.000 0.213 316 L C 2.286 179.236 176.870 0.133 0.000 1.100 316 L CA 0.800 55.769 54.840 0.215 0.000 0.765 316 L CB -0.247 41.981 42.059 0.281 0.000 0.904 316 L HN 0.352 nan 8.230 nan 0.000 0.437 317 M N -0.917 118.762 119.600 0.133 0.000 2.549 317 M HA -0.080 4.401 4.480 0.002 0.000 0.260 317 M C 2.120 178.461 176.300 0.068 0.000 1.076 317 M CA 1.154 56.508 55.300 0.089 0.000 1.090 317 M CB -0.509 32.139 32.600 0.079 0.000 1.418 317 M HN 0.309 nan 8.290 nan 0.000 0.486 318 G N 0.760 109.602 108.800 0.070 0.000 2.443 318 G HA2 -0.011 3.950 3.960 0.002 0.000 0.219 318 G HA3 -0.011 3.950 3.960 0.002 0.000 0.219 318 G C 0.684 175.611 174.900 0.046 0.000 1.131 318 G CA 0.278 45.410 45.100 0.054 0.000 0.775 318 G HN 0.297 nan 8.290 nan 0.000 0.547 319 L N -0.715 120.535 121.223 0.046 0.000 2.357 319 L HA 0.536 4.877 4.340 0.002 0.000 0.273 319 L C 1.187 178.081 176.870 0.040 0.000 1.080 319 L CA -0.137 54.727 54.840 0.040 0.000 0.803 319 L CB 1.560 43.640 42.059 0.035 0.000 1.174 319 L HN 0.214 nan 8.230 nan 0.000 0.443 320 A N 2.225 125.067 122.820 0.037 0.000 2.869 320 A HA -0.065 4.256 4.320 0.002 0.000 0.280 320 A C 1.246 178.852 177.584 0.036 0.000 1.458 320 A CA 0.838 52.894 52.037 0.032 0.000 0.776 320 A CB -2.158 16.861 19.000 0.031 0.000 1.028 320 A HN 1.738 nan 8.150 nan 0.000 0.547 321 G N -2.104 106.720 108.800 0.040 0.000 2.166 321 G HA2 0.228 4.189 3.960 0.002 0.000 0.260 321 G HA3 0.228 4.189 3.960 0.002 0.000 0.260 321 G C 1.224 176.162 174.900 0.064 0.000 0.986 321 G CA 1.027 46.158 45.100 0.052 0.000 0.683 321 G HN 2.961 nan 8.290 nan 0.000 0.527 322 G N -1.183 107.649 108.800 0.054 0.000 2.143 322 G HA2 -0.300 3.661 3.960 0.002 0.000 0.249 322 G HA3 -0.300 3.661 3.960 0.002 0.000 0.249 322 G C 0.503 175.431 174.900 0.046 0.000 0.981 322 G CA 0.786 45.918 45.100 0.052 0.000 0.665 322 G HN 1.008 nan 8.290 nan 0.000 0.528 323 R N 0.262 120.788 120.500 0.044 0.000 4.559 323 R HA 0.320 4.661 4.340 0.002 0.000 0.177 323 R C 0.269 176.580 176.300 0.019 0.000 1.875 323 R CA 0.273 56.394 56.100 0.034 0.000 1.509 323 R CB -0.256 30.061 30.300 0.030 0.000 1.395 323 R HN 0.335 nan 8.270 nan 0.000 0.830 324 I N 0.994 121.578 120.570 0.023 0.000 2.460 324 I HA 0.444 4.616 4.170 0.002 0.000 0.298 324 I C -0.471 175.655 176.117 0.016 0.000 0.989 324 I CA -0.765 60.546 61.300 0.019 0.000 1.173 324 I CB 2.026 40.053 38.000 0.045 0.000 1.338 324 I HN 0.047 nan 8.210 nan 0.000 0.456 325 V N 7.424 127.332 119.914 -0.009 0.000 2.623 325 V HA 0.506 4.627 4.120 0.002 0.000 0.304 325 V C -0.264 175.785 176.094 -0.075 0.000 1.054 325 V CA -0.604 61.688 62.300 -0.013 0.000 0.882 325 V CB 1.564 33.378 31.823 -0.015 0.000 1.002 325 V HN 0.722 nan 8.190 nan 0.000 0.424 326 L N 3.327 124.491 121.223 -0.099 0.000 2.344 326 L HA 0.969 5.310 4.340 0.002 0.000 0.272 326 L C 0.178 176.797 176.870 -0.419 0.000 1.035 326 L CA -0.629 54.052 54.840 -0.265 0.000 0.807 326 L CB 1.775 43.706 42.059 -0.212 0.000 1.237 326 L HN 0.777 nan 8.230 nan 0.000 0.442 327 A N 2.339 124.885 122.820 -0.456 0.000 2.408 327 A HA 0.548 4.869 4.320 0.002 0.000 0.295 327 A C -1.089 176.236 177.584 -0.431 0.000 1.040 327 A CA -0.534 51.263 52.037 -0.400 0.000 0.707 327 A CB 1.541 20.414 19.000 -0.211 0.000 1.235 327 A HN 0.534 nan 8.150 nan 0.000 0.418 328 L N 2.042 123.026 121.223 -0.399 0.000 2.490 328 L HA 0.298 4.639 4.340 0.002 0.000 0.274 328 L C 0.692 177.396 176.870 -0.276 0.000 1.201 328 L CA 1.152 55.784 54.840 -0.347 0.000 0.869 328 L CB 0.029 42.007 42.059 -0.135 0.000 1.123 328 L HN 0.851 nan 8.230 nan 0.000 0.484 329 E N 3.078 123.071 120.200 -0.344 0.000 3.130 329 E HA 0.373 4.725 4.350 0.002 0.000 0.264 329 E C 0.285 176.741 176.600 -0.241 0.000 1.006 329 E CA 0.279 56.504 56.400 -0.293 0.000 0.973 329 E CB -0.600 28.828 29.700 -0.453 0.000 3.001 329 E HN 0.680 nan 8.360 nan 0.000 0.586 330 G N -0.554 108.108 108.800 -0.230 0.000 2.543 330 G HA2 0.462 4.423 3.960 0.002 0.000 0.267 330 G HA3 0.462 4.423 3.960 0.002 0.000 0.267 330 G C -0.045 174.594 174.900 -0.436 0.000 1.406 330 G CA 0.031 44.986 45.100 -0.241 0.000 1.048 330 G HN 0.543 nan 8.290 nan 0.000 0.548 331 G N -2.490 105.986 108.800 -0.539 0.000 3.436 331 G HA2 -0.048 3.913 3.960 0.002 0.000 0.685 331 G HA3 -0.048 3.913 3.960 0.002 0.000 0.685 331 G C -0.361 174.342 174.900 -0.328 0.000 1.039 331 G CA 0.139 45.093 45.100 -0.245 0.000 0.879 331 G HN 0.734 nan 8.290 nan 0.000 0.478 332 Y N 0.838 121.417 120.300 0.464 0.000 2.467 332 Y HA 0.270 4.821 4.550 0.001 0.000 0.259 332 Y C 1.473 177.457 175.900 0.140 0.000 1.084 332 Y CA 0.088 58.332 58.100 0.240 0.000 1.275 332 Y CB 0.616 39.184 38.460 0.179 0.000 1.208 332 Y HN 0.650 nan 8.280 nan 0.000 0.511 333 D N 1.066 121.559 120.400 0.155 0.000 2.371 333 D HA 0.067 4.708 4.640 0.002 0.000 0.256 333 D C 1.014 177.329 176.300 0.024 0.000 1.193 333 D CA 0.296 54.266 54.000 -0.050 0.000 0.881 333 D CB 0.895 41.487 40.800 -0.346 0.000 1.143 333 D HN 0.156 nan 8.370 nan 0.000 0.473 334 L N 2.751 123.995 121.223 0.034 0.000 2.093 334 L HA -0.121 4.220 4.340 0.002 0.000 0.208 334 L C 2.217 179.101 176.870 0.023 0.000 1.085 334 L CA 0.869 55.736 54.840 0.046 0.000 0.755 334 L CB -0.583 41.502 42.059 0.044 0.000 0.904 334 L HN 0.498 nan 8.230 nan 0.000 0.435 335 T N 0.102 114.654 114.554 -0.002 0.000 2.737 335 T HA -0.139 4.213 4.350 0.002 0.000 0.265 335 T C 2.075 176.761 174.700 -0.023 0.000 1.038 335 T CA 1.393 63.483 62.100 -0.017 0.000 1.144 335 T CB -0.167 68.685 68.868 -0.026 0.000 0.866 335 T HN 0.436 nan 8.240 nan 0.000 0.434 336 A N 1.973 124.780 122.820 -0.022 0.000 1.865 336 A HA -0.090 4.231 4.320 0.002 0.000 0.217 336 A C 2.319 179.893 177.584 -0.016 0.000 1.191 336 A CA 1.881 53.913 52.037 -0.009 0.000 0.623 336 A CB -0.862 18.158 19.000 0.032 0.000 0.826 336 A HN 0.734 nan 8.150 nan 0.000 0.444 337 I N -3.119 117.491 120.570 0.067 0.000 2.546 337 I HA -0.135 4.036 4.170 0.002 0.000 0.255 337 I C 2.208 178.360 176.117 0.059 0.000 1.163 337 I CA 1.322 62.707 61.300 0.142 0.000 1.457 337 I CB -0.685 37.471 38.000 0.259 0.000 1.092 337 I HN 0.251 nan 8.210 nan 0.000 0.434 338 C N 1.733 121.042 119.300 0.015 0.000 2.476 338 C HA -0.098 4.363 4.460 0.002 0.000 0.278 338 C C 2.445 177.381 174.990 -0.090 0.000 1.274 338 C CA 1.038 60.042 59.018 -0.024 0.000 1.713 338 C CB -0.952 26.776 27.740 -0.020 0.000 2.039 338 C HN 0.578 nan 8.230 nan 0.000 0.484 339 D N 1.186 121.526 120.400 -0.099 0.000 2.103 339 D HA -0.143 4.498 4.640 0.002 0.000 0.190 339 D C 2.305 178.486 176.300 -0.199 0.000 0.997 339 D CA 2.025 55.950 54.000 -0.124 0.000 0.833 339 D CB -0.727 40.013 40.800 -0.102 0.000 0.961 339 D HN 0.476 nan 8.370 nan 0.000 0.447 340 A N 0.626 123.240 122.820 -0.344 0.000 1.908 340 A HA -0.184 4.137 4.320 0.002 0.000 0.218 340 A C 2.464 179.755 177.584 -0.490 0.000 1.181 340 A CA 2.218 53.884 52.037 -0.619 0.000 0.627 340 A CB -0.677 17.446 19.000 -1.462 0.000 0.818 340 A HN 0.194 nan 8.150 nan 0.000 0.445 341 S N -0.749 114.758 115.700 -0.322 0.000 2.370 341 S HA -0.198 4.274 4.470 0.002 0.000 0.226 341 S C 1.936 176.405 174.600 -0.219 0.000 1.033 341 S CA 1.407 59.527 58.200 -0.134 0.000 1.011 341 S CB -0.306 62.852 63.200 -0.070 0.000 0.852 341 S HN 0.731 nan 8.310 nan 0.000 0.457 342 E N 1.028 121.119 120.200 -0.183 0.000 2.058 342 E HA -0.175 4.177 4.350 0.002 0.000 0.194 342 E C 2.176 178.708 176.600 -0.114 0.000 0.997 342 E CA 1.092 57.399 56.400 -0.155 0.000 0.801 342 E CB -0.211 29.414 29.700 -0.126 0.000 0.746 342 E HN 0.497 nan 8.360 nan 0.000 0.450 343 A N 0.324 123.084 122.820 -0.099 0.000 1.898 343 A HA -0.166 4.156 4.320 0.002 0.000 0.216 343 A C 2.486 180.076 177.584 0.009 0.000 1.181 343 A CA 1.298 53.307 52.037 -0.047 0.000 0.620 343 A CB -0.833 18.139 19.000 -0.047 0.000 0.819 343 A HN 0.490 nan 8.150 nan 0.000 0.442 344 C N -1.405 117.927 119.300 0.054 0.000 2.429 344 C HA -0.048 4.413 4.460 0.002 0.000 0.277 344 C C 2.755 177.845 174.990 0.166 0.000 1.262 344 C CA 1.081 60.228 59.018 0.216 0.000 1.733 344 C CB -1.151 26.880 27.740 0.485 0.000 2.010 344 C HN 0.442 nan 8.230 nan 0.000 0.483 345 V N 0.204 120.136 119.914 0.030 0.000 2.379 345 V HA -0.176 3.945 4.120 0.002 0.000 0.245 345 V C 2.656 178.738 176.094 -0.021 0.000 1.044 345 V CA 2.286 64.572 62.300 -0.025 0.000 1.036 345 V CB -0.782 30.924 31.823 -0.195 0.000 0.664 345 V HN 0.648 nan 8.190 nan 0.000 0.453 346 S N 0.098 115.774 115.700 -0.040 0.000 2.359 346 S HA -0.267 4.204 4.470 0.002 0.000 0.223 346 S C 2.150 176.742 174.600 -0.013 0.000 1.039 346 S CA 1.994 60.172 58.200 -0.037 0.000 1.042 346 S CB -0.396 62.778 63.200 -0.043 0.000 0.915 346 S HN 0.635 nan 8.310 nan 0.000 0.439 347 A N 1.119 123.945 122.820 0.010 0.000 1.933 347 A HA 0.045 4.366 4.320 0.002 0.000 0.218 347 A C 2.244 179.850 177.584 0.035 0.000 1.175 347 A CA 1.436 53.483 52.037 0.017 0.000 0.628 347 A CB -0.770 18.255 19.000 0.041 0.000 0.814 347 A HN 0.587 nan 8.150 nan 0.000 0.444 348 L N -0.745 120.515 121.223 0.063 0.000 2.046 348 L HA -0.160 4.181 4.340 0.002 0.000 0.208 348 L C 2.259 179.137 176.870 0.014 0.000 1.077 348 L CA 1.049 55.925 54.840 0.061 0.000 0.747 348 L CB -0.411 41.706 42.059 0.098 0.000 0.896 348 L HN 0.367 nan 8.230 nan 0.000 0.432 349 L N -0.366 120.856 121.223 -0.002 0.000 2.551 349 L HA 0.005 4.347 4.340 0.002 0.000 0.228 349 L C 1.406 178.266 176.870 -0.017 0.000 1.153 349 L CA 0.605 55.433 54.840 -0.020 0.000 0.851 349 L CB -0.655 41.386 42.059 -0.030 0.000 0.959 349 L HN 0.543 nan 8.230 nan 0.000 0.451 350 G N 0.022 108.816 108.800 -0.011 0.000 2.147 350 G HA2 -0.263 3.699 3.960 0.002 0.000 0.244 350 G HA3 -0.263 3.699 3.960 0.002 0.000 0.244 350 G C 0.005 174.893 174.900 -0.020 0.000 1.005 350 G CA -0.112 44.980 45.100 -0.013 0.000 0.713 350 G HN 0.359 nan 8.290 nan 0.000 0.515 351 N N 0.648 119.334 118.700 -0.024 0.000 2.508 351 N HA 0.339 5.080 4.740 0.002 0.000 0.264 351 N C 0.482 175.972 175.510 -0.034 0.000 1.216 351 N CA -0.072 52.961 53.050 -0.028 0.000 0.943 351 N CB 0.741 39.209 38.487 -0.031 0.000 1.113 351 N HN 0.639 nan 8.380 nan 0.000 0.447 352 E N 1.562 121.744 120.200 -0.030 0.000 2.415 352 E HA 0.027 4.378 4.350 0.002 0.000 0.263 352 E C -0.510 176.070 176.600 -0.034 0.000 0.995 352 E CA -0.177 56.203 56.400 -0.033 0.000 0.915 352 E CB 0.406 30.092 29.700 -0.022 0.000 0.951 352 E HN 0.360 nan 8.360 nan 0.000 0.449 353 L N 3.876 125.071 121.223 -0.047 0.000 2.399 353 L HA 0.195 4.536 4.340 0.002 0.000 0.266 353 L C 0.229 177.104 176.870 0.009 0.000 1.114 353 L CA -0.696 54.123 54.840 -0.034 0.000 0.804 353 L CB 0.988 42.992 42.059 -0.092 0.000 1.146 353 L HN 0.562 nan 8.230 nan 0.000 0.451 354 D N 3.064 123.479 120.400 0.026 0.000 2.358 354 D HA 0.142 4.783 4.640 0.002 0.000 0.258 354 D C -2.096 174.255 176.300 0.085 0.000 1.223 354 D CA -0.782 53.239 54.000 0.035 0.000 0.886 354 D CB 0.769 41.578 40.800 0.015 0.000 1.120 354 D HN 0.200 nan 8.370 nan 0.000 0.482 355 P HA 0.010 nan 4.420 nan 0.000 0.267 355 P C 0.180 177.505 177.300 0.043 0.000 1.200 355 P CA -0.117 63.045 63.100 0.104 0.000 0.772 355 P CB 0.694 32.428 31.700 0.055 0.000 0.855 356 L N 4.699 125.914 121.223 -0.015 0.000 2.439 356 L HA 0.199 4.540 4.340 0.002 0.000 0.269 356 L C -1.740 175.073 176.870 -0.094 0.000 1.179 356 L CA -1.742 53.016 54.840 -0.135 0.000 0.828 356 L CB -0.343 41.511 42.059 -0.341 0.000 1.106 356 L HN 0.276 nan 8.230 nan 0.000 0.467 357 P HA -0.009 nan 4.420 nan 0.000 0.266 357 P C 0.367 177.623 177.300 -0.073 0.000 1.215 357 P CA -0.001 63.057 63.100 -0.070 0.000 0.763 357 P CB 0.729 32.387 31.700 -0.069 0.000 0.806 358 E N 5.039 125.207 120.200 -0.054 0.000 2.196 358 E HA -0.366 3.985 4.350 0.002 0.000 0.222 358 E C 1.734 178.301 176.600 -0.056 0.000 1.072 358 E CA 2.510 58.881 56.400 -0.048 0.000 0.902 358 E CB -0.299 29.381 29.700 -0.034 0.000 0.780 358 E HN 0.469 nan 8.360 nan 0.000 0.467 359 K N -0.408 119.960 120.400 -0.054 0.000 2.015 359 K HA -0.255 4.066 4.320 0.002 0.000 0.220 359 K C 2.021 178.579 176.600 -0.069 0.000 1.055 359 K CA 2.505 58.759 56.287 -0.055 0.000 0.951 359 K CB -0.523 31.946 32.500 -0.052 0.000 0.725 359 K HN 0.159 nan 8.250 nan 0.000 0.449 360 V N 1.491 121.352 119.914 -0.088 0.000 2.407 360 V HA -0.239 3.883 4.120 0.002 0.000 0.248 360 V C 2.411 178.435 176.094 -0.117 0.000 1.055 360 V CA 1.812 64.046 62.300 -0.111 0.000 1.049 360 V CB -0.426 31.311 31.823 -0.142 0.000 0.662 360 V HN 0.350 nan 8.190 nan 0.000 0.455 361 L N -0.702 120.450 121.223 -0.118 0.000 2.131 361 L HA -0.226 4.115 4.340 0.002 0.000 0.210 361 L C 2.539 179.365 176.870 -0.072 0.000 1.092 361 L CA 1.586 56.362 54.840 -0.107 0.000 0.759 361 L CB -0.374 41.628 42.059 -0.095 0.000 0.903 361 L HN 0.382 nan 8.230 nan 0.000 0.435 362 Q N -1.089 118.675 119.800 -0.062 0.000 2.398 362 Q HA -0.025 4.316 4.340 0.002 0.000 0.204 362 Q C 0.767 176.739 176.000 -0.046 0.000 0.932 362 Q CA -0.013 55.762 55.803 -0.046 0.000 0.916 362 Q CB 0.426 29.141 28.738 -0.039 0.000 1.024 362 Q HN 0.381 nan 8.270 nan 0.000 0.504 363 Q N 1.530 121.296 119.800 -0.056 0.000 2.296 363 Q HA 0.093 4.434 4.340 0.002 0.000 0.262 363 Q C -0.733 175.237 176.000 -0.051 0.000 0.981 363 Q CA -0.095 55.676 55.803 -0.053 0.000 0.905 363 Q CB 0.620 29.320 28.738 -0.063 0.000 1.186 363 Q HN 0.128 nan 8.270 nan 0.000 0.399 364 R N 4.388 124.863 120.500 -0.041 0.000 2.543 364 R HA 0.252 4.593 4.340 0.002 0.000 0.277 364 R C -2.174 174.101 176.300 -0.041 0.000 1.074 364 R CA -1.568 54.511 56.100 -0.036 0.000 1.076 364 R CB 0.087 30.370 30.300 -0.027 0.000 0.993 364 R HN 0.504 nan 8.270 nan 0.000 0.459 365 P HA 0.004 nan 4.420 nan 0.000 0.275 365 P C -0.953 176.321 177.300 -0.042 0.000 1.228 365 P CA -0.522 62.550 63.100 -0.046 0.000 0.786 365 P CB 0.430 32.111 31.700 -0.032 0.000 0.927 366 N N 1.021 119.686 118.700 -0.058 0.000 2.340 366 N HA 0.093 4.834 4.740 0.002 0.000 0.236 366 N C 1.085 176.578 175.510 -0.027 0.000 1.296 366 N CA 0.098 53.119 53.050 -0.048 0.000 0.896 366 N CB -0.122 38.325 38.487 -0.066 0.000 1.127 366 N HN 0.336 nan 8.380 nan 0.000 0.442 367 A N 1.472 124.282 122.820 -0.017 0.000 1.877 367 A HA -0.234 4.087 4.320 0.002 0.000 0.216 367 A C 1.811 179.401 177.584 0.010 0.000 1.186 367 A CA 1.708 53.743 52.037 -0.003 0.000 0.620 367 A CB -1.356 17.643 19.000 -0.001 0.000 0.822 367 A HN 0.886 nan 8.150 nan 0.000 0.443 368 N N 0.079 118.785 118.700 0.010 0.000 2.137 368 N HA -0.165 4.576 4.740 0.002 0.000 0.190 368 N C 1.877 177.429 175.510 0.070 0.000 1.017 368 N CA 1.104 54.175 53.050 0.034 0.000 0.859 368 N CB -0.238 38.265 38.487 0.027 0.000 1.002 368 N HN 0.557 nan 8.380 nan 0.000 0.428 369 A N 0.802 123.653 122.820 0.052 0.000 1.832 369 A HA -0.061 4.260 4.320 0.002 0.000 0.214 369 A C 2.417 180.052 177.584 0.086 0.000 1.204 369 A CA 1.041 53.155 52.037 0.129 0.000 0.606 369 A CB -0.947 18.081 19.000 0.047 0.000 0.849 369 A HN 0.070 nan 8.150 nan 0.000 0.445 370 V N 0.447 120.383 119.914 0.037 0.000 2.313 370 V HA -0.346 3.775 4.120 0.002 0.000 0.253 370 V C 2.712 178.814 176.094 0.013 0.000 1.070 370 V CA 2.662 64.972 62.300 0.017 0.000 1.057 370 V CB -0.907 30.919 31.823 0.005 0.000 0.653 370 V HN 0.686 nan 8.190 nan 0.000 0.450 371 R N -0.058 120.455 120.500 0.022 0.000 2.075 371 R HA -0.126 4.215 4.340 0.002 0.000 0.232 371 R C 2.448 178.758 176.300 0.016 0.000 1.126 371 R CA 1.735 57.846 56.100 0.019 0.000 0.963 371 R CB -0.295 30.020 30.300 0.026 0.000 0.858 371 R HN 0.530 nan 8.270 nan 0.000 0.435 372 S N 0.378 116.095 115.700 0.030 0.000 2.399 372 S HA -0.135 4.336 4.470 0.002 0.000 0.231 372 S C 1.818 176.366 174.600 -0.086 0.000 1.022 372 S CA 1.449 59.643 58.200 -0.010 0.000 0.983 372 S CB -0.109 63.106 63.200 0.025 0.000 0.803 372 S HN 0.320 nan 8.310 nan 0.000 0.480 373 M N 1.033 120.592 119.600 -0.069 0.000 2.123 373 M HA -0.067 4.414 4.480 0.002 0.000 0.263 373 M C 2.239 178.503 176.300 -0.061 0.000 1.069 373 M CA 1.301 56.544 55.300 -0.094 0.000 1.133 373 M CB -0.299 32.266 32.600 -0.058 0.000 1.356 373 M HN 0.263 nan 8.290 nan 0.000 0.415 374 E N 0.051 120.232 120.200 -0.031 0.000 2.110 374 E HA -0.237 4.114 4.350 0.002 0.000 0.193 374 E C 1.954 178.545 176.600 -0.014 0.000 0.988 374 E CA 1.054 57.443 56.400 -0.019 0.000 0.804 374 E CB -0.106 29.589 29.700 -0.009 0.000 0.745 374 E HN 0.376 nan 8.360 nan 0.000 0.458 375 K N 0.890 121.282 120.400 -0.014 0.000 2.026 375 K HA -0.140 4.181 4.320 0.002 0.000 0.208 375 K C 2.077 178.675 176.600 -0.002 0.000 1.048 375 K CA 1.156 57.441 56.287 -0.005 0.000 0.929 375 K CB 0.071 32.574 32.500 0.003 0.000 0.713 375 K HN -0.033 nan 8.250 nan 0.000 0.439 376 V N 1.594 121.496 119.914 -0.021 0.000 2.307 376 V HA -0.264 3.857 4.120 0.002 0.000 0.245 376 V C 2.465 178.590 176.094 0.051 0.000 1.045 376 V CA 1.842 64.146 62.300 0.006 0.000 1.024 376 V CB -0.377 31.396 31.823 -0.085 0.000 0.651 376 V HN 0.387 nan 8.190 nan 0.000 0.449 377 M N -0.354 119.246 119.600 -0.001 0.000 2.082 377 M HA -0.282 4.199 4.480 0.002 0.000 0.258 377 M C 2.295 178.615 176.300 0.034 0.000 1.069 377 M CA 2.373 57.680 55.300 0.012 0.000 1.102 377 M CB -0.552 32.038 32.600 -0.016 0.000 1.336 377 M HN 0.440 nan 8.290 nan 0.000 0.404 378 E N 0.939 121.146 120.200 0.012 0.000 2.033 378 E HA -0.236 4.115 4.350 0.002 0.000 0.199 378 E C 1.808 178.400 176.600 -0.014 0.000 1.011 378 E CA 1.758 58.156 56.400 -0.004 0.000 0.815 378 E CB -0.153 29.541 29.700 -0.010 0.000 0.755 378 E HN 0.475 nan 8.360 nan 0.000 0.451 379 I N 0.456 121.023 120.570 -0.005 0.000 2.118 379 I HA -0.297 3.875 4.170 0.002 0.000 0.241 379 I C 2.251 178.310 176.117 -0.096 0.000 1.070 379 I CA 1.346 62.612 61.300 -0.056 0.000 1.327 379 I CB -0.391 37.580 38.000 -0.048 0.000 1.034 379 I HN 0.295 nan 8.210 nan 0.000 0.405 380 H N 0.117 119.237 119.070 0.083 0.000 2.547 380 H HA 0.060 4.618 4.556 0.002 0.000 0.266 380 H C 2.244 177.680 175.328 0.180 0.000 0.988 380 H CA 0.952 57.130 56.048 0.216 0.000 1.147 380 H CB 0.177 30.046 29.762 0.179 0.000 1.365 380 H HN 0.389 nan 8.280 nan 0.000 0.589 381 S N 0.027 115.790 115.700 0.106 0.000 2.515 381 S HA -0.088 4.383 4.470 0.002 0.000 0.231 381 S C 1.940 176.488 174.600 -0.087 0.000 0.987 381 S CA 0.547 58.770 58.200 0.039 0.000 0.936 381 S CB 0.141 63.341 63.200 -0.001 0.000 0.766 381 S HN 0.239 nan 8.310 nan 0.000 0.528 382 K N 0.171 120.406 120.400 -0.275 0.000 2.155 382 K HA 0.054 4.375 4.320 0.002 0.000 0.203 382 K C 0.606 176.827 176.600 -0.631 0.000 1.052 382 K CA 1.165 57.102 56.287 -0.584 0.000 0.948 382 K CB -0.083 31.812 32.500 -1.009 0.000 0.728 382 K HN 0.636 nan 8.250 nan 0.000 0.448 383 Y N -2.393 117.847 120.300 -0.100 0.000 2.481 383 Y HA 0.205 4.756 4.550 0.001 0.000 0.247 383 Y C -0.710 174.736 175.900 -0.757 0.000 1.151 383 Y CA -0.973 56.880 58.100 -0.410 0.000 1.238 383 Y CB 0.566 38.733 38.460 -0.488 0.000 1.179 383 Y HN -0.036 nan 8.280 nan 0.000 0.524 384 W N -0.120 121.194 121.300 0.024 0.000 3.097 384 W HA 0.486 5.146 4.660 0.001 0.000 0.335 384 W C 0.652 177.166 176.519 -0.007 0.000 1.114 384 W CA -1.075 56.275 57.345 0.009 0.000 1.231 384 W CB 1.076 30.543 29.460 0.012 0.000 1.388 384 W HN -0.285 nan 8.180 nan 0.000 0.485 385 R N 0.914 121.531 120.500 0.195 0.000 2.092 385 R HA -0.105 4.236 4.340 0.002 0.000 0.231 385 R C 1.819 178.181 176.300 0.103 0.000 1.119 385 R CA 1.845 58.008 56.100 0.105 0.000 0.970 385 R CB -0.459 29.887 30.300 0.077 0.000 0.864 385 R HN 0.691 nan 8.270 nan 0.000 0.440 386 C N -0.643 118.736 119.300 0.133 0.000 2.466 386 C HA 0.169 4.630 4.460 0.002 0.000 0.283 386 C C 1.935 176.959 174.990 0.058 0.000 1.472 386 C CA -0.061 59.004 59.018 0.078 0.000 1.765 386 C CB -1.034 26.742 27.740 0.060 0.000 1.724 386 C HN 0.332 nan 8.230 nan 0.000 0.560 387 L N -0.376 120.898 121.223 0.085 0.000 2.638 387 L HA 0.123 4.464 4.340 0.002 0.000 0.232 387 L C 2.691 179.583 176.870 0.038 0.000 1.099 387 L CA 0.444 55.319 54.840 0.058 0.000 0.883 387 L CB -0.415 41.696 42.059 0.087 0.000 1.136 387 L HN 0.322 nan 8.230 nan 0.000 0.492 388 Q N 0.157 119.980 119.800 0.039 0.000 2.250 388 Q HA -0.073 4.268 4.340 0.002 0.000 0.200 388 Q C 2.680 178.684 176.000 0.006 0.000 0.941 388 Q CA 1.262 57.072 55.803 0.011 0.000 0.872 388 Q CB 0.065 28.804 28.738 0.003 0.000 0.965 388 Q HN 0.500 nan 8.270 nan 0.000 0.480 389 R N 0.912 121.421 120.500 0.014 0.000 2.066 389 R HA -0.008 4.333 4.340 0.002 0.000 0.232 389 R C 1.464 177.767 176.300 0.006 0.000 1.131 389 R CA 1.620 57.726 56.100 0.010 0.000 0.955 389 R CB -1.339 28.970 30.300 0.014 0.000 0.851 389 R HN 0.204 nan 8.270 nan 0.000 0.432 390 T N -0.833 113.725 114.554 0.007 0.000 2.927 390 T HA 0.443 4.794 4.350 0.002 0.000 0.281 390 T C 0.101 174.802 174.700 0.000 0.000 0.998 390 T CA -0.051 62.051 62.100 0.004 0.000 1.019 390 T CB 1.680 70.551 68.868 0.004 0.000 1.061 390 T HN 0.322 nan 8.240 nan 0.000 0.518 391 T N 0.432 114.985 114.554 -0.001 0.000 2.902 391 T HA 0.404 4.755 4.350 0.002 0.000 0.280 391 T C 0.315 175.012 174.700 -0.003 0.000 0.992 391 T CA -0.496 61.602 62.100 -0.003 0.000 1.015 391 T CB 0.941 69.807 68.868 -0.003 0.000 1.044 391 T HN 0.607 nan 8.240 nan 0.000 0.520 392 S N 0.719 116.416 115.700 -0.005 0.000 2.549 392 S HA 0.324 4.795 4.470 0.002 0.000 0.279 392 S C 0.900 175.496 174.600 -0.006 0.000 1.321 392 S CA 0.063 58.259 58.200 -0.006 0.000 1.054 392 S CB 0.216 63.412 63.200 -0.007 0.000 0.899 392 S HN 0.898 nan 8.310 nan 0.000 0.497 393 T N 1.336 115.887 114.554 -0.006 0.000 3.399 393 T HA 0.412 4.763 4.350 0.002 0.000 0.305 393 T C 0.811 175.507 174.700 -0.006 0.000 0.983 393 T CA 0.101 62.198 62.100 -0.005 0.000 0.967 393 T CB 0.096 68.962 68.868 -0.003 0.000 1.186 393 T HN 0.578 nan 8.240 nan 0.000 0.504 394 A N 0.859 123.674 122.820 -0.008 0.000 2.235 394 A HA 0.563 4.884 4.320 0.002 0.000 0.208 394 A C 2.100 179.681 177.584 -0.006 0.000 1.172 394 A CA 0.647 52.680 52.037 -0.008 0.000 0.786 394 A CB -0.811 18.182 19.000 -0.011 0.000 0.804 394 A HN 0.624 nan 8.150 nan 0.000 0.479 395 G N -0.888 107.908 108.800 -0.007 0.000 2.939 395 G HA2 0.130 4.091 3.960 0.002 0.000 0.210 395 G HA3 0.130 4.091 3.960 0.002 0.000 0.210 395 G C 0.854 175.747 174.900 -0.012 0.000 1.160 395 G CA -0.397 44.698 45.100 -0.009 0.000 0.770 395 G HN 0.424 nan 8.290 nan 0.000 0.543 396 R N 0.957 121.450 120.500 -0.011 0.000 2.500 396 R HA 0.419 4.760 4.340 0.002 0.000 0.275 396 R C 0.653 176.943 176.300 -0.017 0.000 1.051 396 R CA -0.145 55.947 56.100 -0.013 0.000 1.088 396 R CB 1.170 31.465 30.300 -0.009 0.000 1.063 396 R HN 0.288 nan 8.270 nan 0.000 0.511 397 S N 1.256 116.944 115.700 -0.021 0.000 2.617 397 S HA 0.081 4.552 4.470 0.002 0.000 0.259 397 S C 1.432 176.018 174.600 -0.025 0.000 1.301 397 S CA -0.665 57.518 58.200 -0.029 0.000 0.984 397 S CB 0.538 63.718 63.200 -0.033 0.000 0.954 397 S HN 0.595 nan 8.310 nan 0.000 0.572 398 L N 0.334 121.537 121.223 -0.034 0.000 1.976 398 L HA -0.054 4.287 4.340 0.002 0.000 0.209 398 L C 2.582 179.442 176.870 -0.016 0.000 1.071 398 L CA 1.399 56.223 54.840 -0.026 0.000 0.746 398 L CB -0.511 41.520 42.059 -0.047 0.000 0.890 398 L HN 0.730 nan 8.230 nan 0.000 0.432 399 I N -0.360 120.196 120.570 -0.023 0.000 2.194 399 I HA -0.357 3.814 4.170 0.002 0.000 0.246 399 I C 2.426 178.538 176.117 -0.009 0.000 1.093 399 I CA 1.508 62.799 61.300 -0.014 0.000 1.355 399 I CB -0.303 37.685 38.000 -0.019 0.000 1.046 399 I HN 0.391 nan 8.210 nan 0.000 0.413 400 E N 0.828 121.021 120.200 -0.011 0.000 2.017 400 E HA -0.214 4.137 4.350 0.002 0.000 0.193 400 E C 2.364 178.962 176.600 -0.003 0.000 0.997 400 E CA 1.276 57.671 56.400 -0.008 0.000 0.804 400 E CB -0.266 29.428 29.700 -0.010 0.000 0.757 400 E HN 0.500 nan 8.360 nan 0.000 0.448 401 A N 1.261 124.079 122.820 -0.003 0.000 1.958 401 A HA -0.323 3.998 4.320 0.002 0.000 0.221 401 A C 2.027 179.615 177.584 0.007 0.000 1.178 401 A CA 1.908 53.947 52.037 0.002 0.000 0.642 401 A CB -0.621 18.382 19.000 0.005 0.000 0.816 401 A HN 0.219 nan 8.150 nan 0.000 0.453 402 Q N -1.277 118.528 119.800 0.008 0.000 2.435 402 Q HA -0.029 4.312 4.340 0.002 0.000 0.207 402 Q C 1.430 177.435 176.000 0.009 0.000 0.956 402 Q CA 1.333 57.143 55.803 0.012 0.000 0.917 402 Q CB -0.009 28.738 28.738 0.016 0.000 0.997 402 Q HN 0.691 nan 8.270 nan 0.000 0.497 403 T N -1.195 113.361 114.554 0.005 0.000 3.100 403 T HA 0.013 4.364 4.350 0.002 0.000 0.253 403 T C 0.905 175.607 174.700 0.003 0.000 1.118 403 T CA 0.311 62.413 62.100 0.003 0.000 1.058 403 T CB 0.164 69.032 68.868 0.000 0.000 0.953 403 T HN 0.297 nan 8.240 nan 0.000 0.515 404 C N 1.899 121.202 119.300 0.004 0.000 2.863 404 C HA 0.697 5.158 4.460 0.002 0.000 0.284 404 C C 1.042 176.035 174.990 0.006 0.000 1.426 404 C CA -0.817 58.203 59.018 0.004 0.000 1.782 404 C CB -1.482 26.259 27.740 0.003 0.000 2.554 404 C HN 0.687 nan 8.230 nan 0.000 0.566 405 E N 0.000 120.205 120.200 0.008 0.000 2.725 405 E HA 0.000 4.351 4.350 0.002 0.000 0.291 405 E CA 0.000 56.406 56.400 0.010 0.000 0.976 405 E CB 0.000 29.708 29.700 0.013 0.000 0.812 405 E HN 0.000 nan 8.360 nan 0.000 0.440