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 2zz0_1_B DATA FIRST_RESID 7 DATA SEQUENCE LPKSYDYDLI IIGGGSGGLA AAKEAAQYGK KVMVLDFVTP TPLGTRWGLG DATA SEQUENCE GTcVNVGcIP KKLMHQAALL GQALQDSRNY GWKVEETVKH DWDRMIEAVQ DATA SEQUENCE NHIGSLNWGY RVALREKKVV YENAYGQFIG PHRIKATNNK GKEKIYSAER DATA SEQUENCE FLIATGERPR YLGIPGDKEY CISSDDLFSL PYCPGKTLVV GASYVALECA DATA SEQUENCE GFLAGIGLDV TVMVRSILLR GFDQDMANKI GEHMEEHGIK FIRQFVPIKV DATA SEQUENCE EQIEAGTPGR LRVVAQSTNS EEIIEGEYNT VMLAIGRDAC TRKIGLETVG DATA SEQUENCE VKINEKTGKI PVTDEEQTNV PYIYAIGDIL EDKVELTPVA IQAGRLLAQR DATA SEQUENCE LYAGSTVKCD YENVPTTVFT PLEYGACGLS EEKAVEKFGE ENIEVYHSYF DATA SEQUENCE WPLEWTIPSR DNNKCYAKII CNTKDNERVV GFHVLGPNAG EVTQGFAAAL DATA SEQUENCE KCGLTKKQLD STIGIHPVCA EVFTTLSVTK RSGASIL 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 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.787 176.870 -0.138 0.000 1.165 7 L CA 0.000 54.766 54.840 -0.124 0.000 0.813 7 L CB 0.000 42.013 42.059 -0.077 0.000 0.961 8 P HA 0.239 nan 4.420 nan 0.000 0.208 8 P C -0.275 176.957 177.300 -0.113 0.000 1.837 8 P CA 0.182 63.228 63.100 -0.090 0.000 0.953 8 P CB 0.937 32.606 31.700 -0.051 0.000 1.870 9 K N 0.246 120.505 120.400 -0.234 0.000 3.456 9 K HA -0.090 4.252 4.320 0.036 0.000 0.297 9 K C -0.353 176.058 176.600 -0.316 0.000 1.371 9 K CA 0.630 56.752 56.287 -0.276 0.000 0.916 9 K CB -2.208 30.294 32.500 0.002 0.000 1.413 9 K HN 0.240 nan 8.250 nan 0.000 0.474 10 S N 2.147 117.649 115.700 -0.329 0.000 3.361 10 S HA 0.076 4.568 4.470 0.036 0.000 0.246 10 S C 0.065 174.582 174.600 -0.139 0.000 1.237 10 S CA -0.080 58.006 58.200 -0.191 0.000 1.240 10 S CB -0.626 62.497 63.200 -0.127 0.000 1.154 10 S HN 0.243 nan 8.310 nan 0.000 0.461 11 Y N 1.435 121.750 120.300 0.024 0.000 2.296 11 Y HA 0.093 4.665 4.550 0.036 0.000 0.343 11 Y C 1.715 177.635 175.900 0.035 0.000 1.292 11 Y CA -1.036 57.104 58.100 0.066 0.000 1.490 11 Y CB 0.275 38.810 38.460 0.126 0.000 1.359 11 Y HN 0.146 nan 8.280 nan 0.000 0.599 12 D N -0.423 120.136 120.400 0.265 0.000 2.144 12 D HA -0.134 4.527 4.640 0.036 0.000 0.200 12 D C -0.536 175.584 176.300 -0.299 0.000 0.978 12 D CA 1.815 55.839 54.000 0.041 0.000 0.833 12 D CB 0.013 40.982 40.800 0.281 0.000 0.961 12 D HN 0.403 nan 8.370 nan 0.000 0.470 13 Y N -0.510 119.863 120.300 0.122 0.000 2.562 13 Y HA 0.175 4.747 4.550 0.037 0.000 0.345 13 Y C 0.738 176.673 175.900 0.058 0.000 1.045 13 Y CA -1.026 57.095 58.100 0.035 0.000 1.028 13 Y CB 1.545 39.962 38.460 -0.072 0.000 1.297 13 Y HN -0.352 nan 8.280 nan 0.000 0.463 14 D N 0.859 121.368 120.400 0.180 0.000 2.269 14 D HA 0.017 4.678 4.640 0.036 0.000 0.208 14 D C -0.417 175.968 176.300 0.142 0.000 0.963 14 D CA 1.410 55.508 54.000 0.163 0.000 0.864 14 D CB 0.588 41.435 40.800 0.079 0.000 0.936 14 D HN 0.271 nan 8.370 nan 0.000 0.505 15 L N 0.271 121.525 121.223 0.051 0.000 2.565 15 L HA 0.370 4.732 4.340 0.036 0.000 0.261 15 L C -1.870 174.850 176.870 -0.251 0.000 0.932 15 L CA -0.418 54.391 54.840 -0.051 0.000 0.878 15 L CB 2.192 44.262 42.059 0.019 0.000 1.333 15 L HN -0.268 nan 8.230 nan 0.000 0.409 16 I N 5.442 125.700 120.570 -0.520 0.000 2.509 16 I HA 0.503 4.695 4.170 0.036 0.000 0.293 16 I C -0.813 175.076 176.117 -0.380 0.000 1.020 16 I CA -0.617 60.313 61.300 -0.617 0.000 1.088 16 I CB 2.049 39.460 38.000 -0.981 0.000 1.267 16 I HN 0.484 nan 8.210 nan 0.000 0.430 17 I N 6.676 127.097 120.570 -0.250 0.000 2.382 17 I HA 0.350 4.542 4.170 0.036 0.000 0.286 17 I C -0.620 175.429 176.117 -0.113 0.000 1.002 17 I CA -0.564 60.666 61.300 -0.116 0.000 1.135 17 I CB 1.662 39.612 38.000 -0.083 0.000 1.288 17 I HN 0.328 nan 8.210 nan 0.000 0.448 18 I N 5.919 126.447 120.570 -0.069 0.000 2.312 18 I HA 0.589 4.781 4.170 0.036 0.000 0.291 18 I C 0.655 176.730 176.117 -0.070 0.000 1.031 18 I CA 0.138 61.376 61.300 -0.103 0.000 1.293 18 I CB 0.943 38.864 38.000 -0.132 0.000 1.403 18 I HN 0.780 nan 8.210 nan 0.000 0.484 19 G N 3.804 112.561 108.800 -0.072 0.000 3.448 19 G HA2 0.125 4.107 3.960 0.036 0.000 0.685 19 G HA3 0.125 4.107 3.960 0.036 0.000 0.685 19 G C -0.028 174.850 174.900 -0.036 0.000 1.151 19 G CA -0.603 44.472 45.100 -0.041 0.000 1.023 19 G HN 1.026 nan 8.290 nan 0.000 0.499 20 G N 0.875 109.657 108.800 -0.029 0.000 4.198 20 G HA2 0.699 4.680 3.960 0.036 0.000 0.282 20 G HA3 0.699 4.680 3.960 0.036 0.000 0.282 20 G C 0.753 175.565 174.900 -0.146 0.000 1.262 20 G CA 0.776 45.831 45.100 -0.075 0.000 1.473 20 G HN 1.260 nan 8.290 nan 0.000 0.624 21 G N -0.006 108.723 108.800 -0.119 0.000 3.119 21 G HA2 0.446 4.428 3.960 0.036 0.000 0.206 21 G HA3 0.446 4.428 3.960 0.036 0.000 0.206 21 G C 1.144 175.946 174.900 -0.164 0.000 1.313 21 G CA 0.335 45.347 45.100 -0.146 0.000 1.010 21 G HN 0.199 nan 8.290 nan 0.000 0.578 22 S N -0.064 115.567 115.700 -0.116 0.000 2.456 22 S HA -0.194 4.297 4.470 0.036 0.000 0.232 22 S C 2.497 177.067 174.600 -0.050 0.000 1.046 22 S CA 2.127 60.280 58.200 -0.078 0.000 1.175 22 S CB -1.078 62.104 63.200 -0.029 0.000 1.129 22 S HN 0.885 nan 8.310 nan 0.000 0.420 23 G N 0.946 109.734 108.800 -0.021 0.000 2.440 23 G HA2 -0.046 3.935 3.960 0.036 0.000 0.218 23 G HA3 -0.046 3.935 3.960 0.036 0.000 0.218 23 G C 1.413 176.305 174.900 -0.014 0.000 1.154 23 G CA 1.152 46.248 45.100 -0.006 0.000 0.767 23 G HN 0.604 nan 8.290 nan 0.000 0.552 24 G N 1.253 110.036 108.800 -0.030 0.000 2.587 24 G HA2 -0.237 3.744 3.960 0.036 0.000 0.217 24 G HA3 -0.237 3.744 3.960 0.036 0.000 0.217 24 G C 1.794 176.664 174.900 -0.049 0.000 1.240 24 G CA 0.970 46.047 45.100 -0.038 0.000 0.794 24 G HN 0.413 nan 8.290 nan 0.000 0.580 25 L N 0.902 122.071 121.223 -0.091 0.000 2.081 25 L HA -0.129 4.233 4.340 0.036 0.000 0.212 25 L C 3.420 180.282 176.870 -0.014 0.000 1.080 25 L CA 1.062 55.854 54.840 -0.080 0.000 0.754 25 L CB -0.521 41.427 42.059 -0.184 0.000 0.893 25 L HN 0.342 nan 8.230 nan 0.000 0.433 26 A N 0.199 123.015 122.820 -0.008 0.000 1.858 26 A HA -0.167 4.175 4.320 0.036 0.000 0.216 26 A C 2.575 180.174 177.584 0.025 0.000 1.190 26 A CA 1.832 53.880 52.037 0.020 0.000 0.617 26 A CB -0.787 18.222 19.000 0.014 0.000 0.827 26 A HN 0.387 nan 8.150 nan 0.000 0.443 27 A N -0.199 122.632 122.820 0.019 0.000 1.902 27 A HA 0.160 4.501 4.320 0.036 0.000 0.217 27 A C 2.523 180.123 177.584 0.027 0.000 1.181 27 A CA 2.169 54.225 52.037 0.032 0.000 0.623 27 A CB -1.105 17.912 19.000 0.027 0.000 0.818 27 A HN 1.118 nan 8.150 nan 0.000 0.443 28 A N 0.019 122.840 122.820 0.001 0.000 1.892 28 A HA -0.237 4.104 4.320 0.036 0.000 0.218 28 A C 2.136 179.718 177.584 -0.003 0.000 1.188 28 A CA 2.060 54.087 52.037 -0.015 0.000 0.631 28 A CB -0.486 18.496 19.000 -0.031 0.000 0.822 28 A HN 0.577 nan 8.150 nan 0.000 0.447 29 K N -1.044 119.363 120.400 0.012 0.000 2.031 29 K HA -0.129 4.212 4.320 0.036 0.000 0.205 29 K C 2.158 178.775 176.600 0.027 0.000 1.049 29 K CA 1.397 57.691 56.287 0.012 0.000 0.939 29 K CB -0.125 32.386 32.500 0.019 0.000 0.717 29 K HN 0.492 nan 8.250 nan 0.000 0.438 30 E N 1.230 121.468 120.200 0.063 0.000 2.077 30 E HA -0.169 4.203 4.350 0.036 0.000 0.193 30 E C 1.800 178.532 176.600 0.220 0.000 0.989 30 E CA 1.491 57.972 56.400 0.135 0.000 0.800 30 E CB -0.144 29.655 29.700 0.164 0.000 0.746 30 E HN 0.300 nan 8.360 nan 0.000 0.452 31 A N 0.766 123.671 122.820 0.142 0.000 1.877 31 A HA -0.089 4.253 4.320 0.036 0.000 0.216 31 A C 2.458 180.043 177.584 0.002 0.000 1.186 31 A CA 2.125 54.203 52.037 0.068 0.000 0.620 31 A CB -1.115 17.840 19.000 -0.075 0.000 0.822 31 A HN 0.391 nan 8.150 nan 0.000 0.443 32 A N -0.907 121.901 122.820 -0.021 0.000 1.940 32 A HA -0.256 4.085 4.320 0.036 0.000 0.219 32 A C 2.077 179.634 177.584 -0.044 0.000 1.176 32 A CA 1.776 53.789 52.037 -0.040 0.000 0.631 32 A CB -0.628 18.352 19.000 -0.033 0.000 0.814 32 A HN 0.649 nan 8.150 nan 0.000 0.446 33 Q N -1.931 117.828 119.800 -0.068 0.000 2.297 33 Q HA -0.187 4.174 4.340 0.036 0.000 0.208 33 Q C 0.527 176.344 176.000 -0.305 0.000 0.981 33 Q CA 1.456 57.133 55.803 -0.210 0.000 0.876 33 Q CB -0.195 28.355 28.738 -0.313 0.000 0.921 33 Q HN 0.898 nan 8.270 nan 0.000 0.446 34 Y N -1.283 118.999 120.300 -0.029 0.000 2.571 34 Y HA 0.282 4.853 4.550 0.035 0.000 0.275 34 Y C 1.085 176.967 175.900 -0.029 0.000 1.179 34 Y CA 0.150 58.246 58.100 -0.006 0.000 1.242 34 Y CB 0.727 39.217 38.460 0.049 0.000 1.126 34 Y HN 0.066 nan 8.280 nan 0.000 0.524 35 G N 0.774 109.593 108.800 0.032 0.000 2.256 35 G HA2 -0.233 3.748 3.960 0.036 0.000 0.272 35 G HA3 -0.233 3.748 3.960 0.036 0.000 0.272 35 G C -0.122 174.765 174.900 -0.021 0.000 1.076 35 G CA -0.316 44.787 45.100 0.005 0.000 0.882 35 G HN 0.066 nan 8.290 nan 0.000 0.497 36 K N -0.220 120.129 120.400 -0.085 0.000 2.156 36 K HA 0.468 4.809 4.320 0.036 0.000 0.250 36 K C 0.264 176.817 176.600 -0.078 0.000 0.955 36 K CA -0.942 55.258 56.287 -0.144 0.000 0.855 36 K CB 1.646 33.880 32.500 -0.443 0.000 1.101 36 K HN 0.266 nan 8.250 nan 0.000 0.434 37 K N 1.896 122.279 120.400 -0.028 0.000 2.285 37 K HA 0.271 4.612 4.320 0.036 0.000 0.286 37 K C -0.902 175.773 176.600 0.123 0.000 1.072 37 K CA -0.345 55.971 56.287 0.048 0.000 0.913 37 K CB 0.543 33.049 32.500 0.010 0.000 1.067 37 K HN 0.221 nan 8.250 nan 0.000 0.479 38 V N 5.326 125.303 119.914 0.105 0.000 2.823 38 V HA 0.513 4.655 4.120 0.036 0.000 0.312 38 V C -0.435 175.606 176.094 -0.089 0.000 1.072 38 V CA -1.008 61.294 62.300 0.003 0.000 0.937 38 V CB 1.909 33.691 31.823 -0.069 0.000 1.013 38 V HN 0.873 nan 8.190 nan 0.000 0.430 39 M N 3.290 122.680 119.600 -0.350 0.000 2.457 39 M HA 0.767 5.269 4.480 0.036 0.000 0.300 39 M C -2.185 173.898 176.300 -0.363 0.000 1.141 39 M CA -0.531 54.445 55.300 -0.540 0.000 0.901 39 M CB 2.241 34.096 32.600 -1.242 0.000 1.687 39 M HN 0.438 nan 8.290 nan 0.000 0.449 40 V N 5.441 125.217 119.914 -0.231 0.000 2.444 40 V HA 0.486 4.628 4.120 0.036 0.000 0.294 40 V C -0.741 175.296 176.094 -0.095 0.000 1.022 40 V CA -0.620 61.608 62.300 -0.120 0.000 0.850 40 V CB 1.830 33.648 31.823 -0.008 0.000 0.992 40 V HN 0.793 nan 8.190 nan 0.000 0.426 41 L N 4.352 125.494 121.223 -0.134 0.000 2.295 41 L HA 0.658 5.020 4.340 0.036 0.000 0.285 41 L C -0.731 176.118 176.870 -0.035 0.000 1.035 41 L CA -0.146 54.615 54.840 -0.130 0.000 0.806 41 L CB 1.736 43.696 42.059 -0.165 0.000 1.214 41 L HN 0.733 nan 8.230 nan 0.000 0.426 42 D N 2.589 123.008 120.400 0.031 0.000 2.936 42 D HA 0.508 5.169 4.640 0.036 0.000 0.238 42 D C -1.649 174.713 176.300 0.104 0.000 1.248 42 D CA -0.247 53.808 54.000 0.092 0.000 0.903 42 D CB 1.616 42.540 40.800 0.206 0.000 1.544 42 D HN 0.197 nan 8.370 nan 0.000 0.543 43 F N 3.553 123.475 119.950 -0.046 0.000 2.591 43 F HA 0.613 5.158 4.527 0.030 0.000 0.309 43 F C -1.631 174.149 175.800 -0.033 0.000 1.098 43 F CA -0.681 57.303 58.000 -0.027 0.000 0.937 43 F CB 1.988 41.005 39.000 0.028 0.000 1.250 43 F HN 0.185 nan 8.300 nan 0.000 0.447 44 V N 3.756 123.039 119.914 -1.052 0.000 2.326 44 V HA 0.284 4.426 4.120 0.036 0.000 0.281 44 V C -0.545 175.202 176.094 -0.577 0.000 1.015 44 V CA -0.743 61.151 62.300 -0.677 0.000 0.823 44 V CB 1.407 32.693 31.823 -0.895 0.000 1.009 44 V HN 0.818 nan 8.190 nan 0.000 0.436 45 T N 6.392 120.867 114.554 -0.132 0.000 2.769 45 T HA 0.265 4.636 4.350 0.036 0.000 0.293 45 T C -2.170 172.464 174.700 -0.110 0.000 0.931 45 T CA -0.969 61.159 62.100 0.046 0.000 1.139 45 T CB 0.544 69.516 68.868 0.173 0.000 0.881 45 T HN 0.386 nan 8.240 nan 0.000 0.532 46 P HA 0.038 nan 4.420 nan 0.000 0.269 46 P C 0.560 177.847 177.300 -0.022 0.000 1.205 46 P CA -0.088 62.946 63.100 -0.111 0.000 0.780 46 P CB 0.238 31.908 31.700 -0.050 0.000 0.858 47 T N -0.708 113.863 114.554 0.028 0.000 2.882 47 T HA 0.233 4.604 4.350 0.036 0.000 0.287 47 T C -1.850 172.897 174.700 0.079 0.000 1.014 47 T CA -1.750 60.422 62.100 0.119 0.000 1.049 47 T CB 0.281 69.274 68.868 0.208 0.000 1.001 47 T HN 0.174 nan 8.240 nan 0.000 0.525 48 P HA -0.058 nan 4.420 nan 0.000 0.219 48 P C 0.985 178.300 177.300 0.025 0.000 1.145 48 P CA 1.078 64.179 63.100 0.002 0.000 0.813 48 P CB -0.066 31.591 31.700 -0.071 0.000 0.771 49 L N -3.609 117.660 121.223 0.075 0.000 2.607 49 L HA 0.306 4.667 4.340 0.036 0.000 0.228 49 L C 1.336 178.250 176.870 0.073 0.000 1.123 49 L CA 0.515 55.401 54.840 0.077 0.000 0.890 49 L CB -0.572 41.556 42.059 0.114 0.000 1.103 49 L HN 0.094 nan 8.230 nan 0.000 0.468 50 G N 0.454 109.291 108.800 0.062 0.000 2.132 50 G HA2 -0.229 3.752 3.960 0.036 0.000 0.228 50 G HA3 -0.229 3.752 3.960 0.036 0.000 0.228 50 G C 0.207 175.138 174.900 0.053 0.000 1.000 50 G CA 0.102 45.229 45.100 0.045 0.000 0.693 50 G HN 0.245 nan 8.290 nan 0.000 0.515 51 T N 1.004 115.613 114.554 0.092 0.000 2.869 51 T HA 0.658 5.029 4.350 0.036 0.000 0.295 51 T C 0.615 175.326 174.700 0.019 0.000 0.987 51 T CA 0.199 62.384 62.100 0.142 0.000 1.109 51 T CB 0.991 70.023 68.868 0.274 0.000 0.932 51 T HN 0.721 nan 8.240 nan 0.000 0.518 52 R N 1.097 121.585 120.500 -0.021 0.000 2.831 52 R HA 0.816 5.177 4.340 0.036 0.000 0.266 52 R C -1.582 174.667 176.300 -0.085 0.000 1.051 52 R CA -1.309 54.548 56.100 -0.405 0.000 0.943 52 R CB 1.632 31.729 30.300 -0.339 0.000 1.228 52 R HN 0.729 nan 8.270 nan 0.000 0.467 53 W N -1.352 119.926 121.300 -0.036 0.000 2.959 53 W HA 0.717 5.400 4.660 0.038 0.000 0.358 53 W C -0.617 175.862 176.519 -0.066 0.000 1.228 53 W CA -1.169 56.159 57.345 -0.028 0.000 1.183 53 W CB -0.034 29.424 29.460 -0.003 0.000 1.467 53 W HN 0.784 nan 8.180 nan 0.000 0.578 54 G N 0.593 109.541 108.800 0.247 0.000 2.516 54 G HA2 0.413 4.395 3.960 0.036 0.000 0.276 54 G HA3 0.413 4.395 3.960 0.036 0.000 0.276 54 G C -0.754 174.193 174.900 0.078 0.000 1.390 54 G CA -0.839 44.304 45.100 0.072 0.000 1.050 54 G HN 0.825 nan 8.290 nan 0.000 0.519 55 L N -0.149 121.037 121.223 -0.061 0.000 2.492 55 L HA 0.418 4.780 4.340 0.036 0.000 0.280 55 L C 1.454 178.255 176.870 -0.116 0.000 1.240 55 L CA 2.210 56.970 54.840 -0.133 0.000 0.831 55 L CB 0.794 42.645 42.059 -0.347 0.000 1.100 55 L HN 1.278 nan 8.230 nan 0.000 0.505 56 G N 0.749 109.406 108.800 -0.238 0.000 3.180 56 G HA2 0.359 4.341 3.960 0.036 0.000 0.197 56 G HA3 0.359 4.341 3.960 0.036 0.000 0.197 56 G C 0.708 175.452 174.900 -0.260 0.000 1.149 56 G CA 0.198 45.080 45.100 -0.364 0.000 0.847 56 G HN 2.033 nan 8.290 nan 0.000 0.469 57 G N -1.521 107.238 108.800 -0.068 0.000 2.422 57 G HA2 0.293 4.274 3.960 0.036 0.000 0.607 57 G HA3 0.293 4.274 3.960 0.036 0.000 0.607 57 G C 0.559 175.458 174.900 -0.002 0.000 1.270 57 G CA 0.626 45.715 45.100 -0.018 0.000 0.992 57 G HN 1.071 nan 8.290 nan 0.000 0.499 58 T N -0.475 114.084 114.554 0.009 0.000 2.737 58 T HA -0.151 4.221 4.350 0.036 0.000 0.265 58 T C 2.471 177.112 174.700 -0.099 0.000 1.038 58 T CA 2.534 64.615 62.100 -0.032 0.000 1.144 58 T CB -0.530 68.362 68.868 0.040 0.000 0.866 58 T HN 0.967 nan 8.240 nan 0.000 0.434 59 c N 1.175 119.740 118.600 -0.060 0.000 2.413 59 c HA -0.066 4.526 4.570 0.036 0.000 0.276 59 c C 2.766 176.788 174.090 -0.115 0.000 1.248 59 c CA 0.739 57.027 56.329 -0.068 0.000 1.742 59 c CB -1.187 41.306 42.510 -0.027 0.000 2.017 59 c HN 0.377 nan 8.230 nan 0.000 0.481 60 V N 1.544 121.395 119.914 -0.105 0.000 2.379 60 V HA -0.138 4.003 4.120 0.036 0.000 0.245 60 V C 2.135 178.132 176.094 -0.161 0.000 1.044 60 V CA 2.319 64.566 62.300 -0.088 0.000 1.036 60 V CB -0.603 31.201 31.823 -0.031 0.000 0.664 60 V HN 0.608 nan 8.190 nan 0.000 0.453 61 N N -0.803 117.738 118.700 -0.265 0.000 2.454 61 N HA 0.074 4.836 4.740 0.036 0.000 0.177 61 N C 1.012 176.225 175.510 -0.496 0.000 1.049 61 N CA 0.765 53.576 53.050 -0.398 0.000 0.887 61 N CB 1.471 39.560 38.487 -0.662 0.000 1.095 61 N HN 0.357 nan 8.380 nan 0.000 0.446 62 V N 0.045 119.665 119.914 -0.490 0.000 3.329 62 V HA 0.323 4.465 4.120 0.036 0.000 0.317 62 V C 0.725 176.774 176.094 -0.074 0.000 1.495 62 V CA -0.023 62.124 62.300 -0.256 0.000 1.105 62 V CB 1.012 32.500 31.823 -0.559 0.000 0.985 62 V HN 0.246 nan 8.190 nan 0.000 0.475 63 G N -0.841 107.824 108.800 -0.226 0.000 3.364 63 G HA2 0.149 4.131 3.960 0.036 0.000 0.191 63 G HA3 0.149 4.131 3.960 0.036 0.000 0.191 63 G C 1.308 176.061 174.900 -0.245 0.000 1.352 63 G CA 0.842 45.859 45.100 -0.138 0.000 0.758 63 G HN 0.185 nan 8.290 nan 0.000 0.730 64 c N 1.006 119.525 118.600 -0.134 0.000 2.336 64 c HA -0.117 4.475 4.570 0.036 0.000 0.275 64 c C 2.776 176.708 174.090 -0.263 0.000 1.175 64 c CA 0.662 56.901 56.329 -0.150 0.000 1.771 64 c CB -1.408 41.061 42.510 -0.069 0.000 2.030 64 c HN 0.420 nan 8.230 nan 0.000 0.442 65 I N 2.575 123.007 120.570 -0.230 0.000 2.068 65 I HA -0.154 4.038 4.170 0.036 0.000 0.238 65 I C 0.227 176.135 176.117 -0.348 0.000 1.046 65 I CA 2.023 63.185 61.300 -0.230 0.000 1.306 65 I CB -2.862 35.062 38.000 -0.126 0.000 1.023 65 I HN 0.293 nan 8.210 nan 0.000 0.399 66 P HA -0.164 nan 4.420 nan 0.000 0.219 66 P C 1.640 178.451 177.300 -0.815 0.000 1.150 66 P CA 1.361 64.058 63.100 -0.672 0.000 0.814 66 P CB -0.066 31.112 31.700 -0.870 0.000 0.787 67 K N 1.600 121.485 120.400 -0.858 0.000 1.991 67 K HA -0.195 4.147 4.320 0.036 0.000 0.212 67 K C 2.157 178.545 176.600 -0.353 0.000 1.049 67 K CA 1.929 57.938 56.287 -0.463 0.000 0.932 67 K CB -0.758 31.625 32.500 -0.196 0.000 0.717 67 K HN -0.146 nan 8.250 nan 0.000 0.441 68 K N 1.107 121.291 120.400 -0.359 0.000 2.044 68 K HA -0.083 4.258 4.320 0.036 0.000 0.210 68 K C 2.302 178.744 176.600 -0.264 0.000 1.049 68 K CA 1.589 57.670 56.287 -0.344 0.000 0.927 68 K CB -0.469 31.754 32.500 -0.462 0.000 0.713 68 K HN 0.257 nan 8.250 nan 0.000 0.443 69 L N 0.056 121.085 121.223 -0.322 0.000 2.127 69 L HA -0.196 4.166 4.340 0.036 0.000 0.211 69 L C 2.429 179.117 176.870 -0.302 0.000 1.089 69 L CA 1.321 55.985 54.840 -0.293 0.000 0.757 69 L CB -0.476 41.405 42.059 -0.296 0.000 0.899 69 L HN 0.330 nan 8.230 nan 0.000 0.434 70 M N -1.577 117.753 119.600 -0.451 0.000 2.349 70 M HA -0.147 4.354 4.480 0.036 0.000 0.266 70 M C 2.263 178.390 176.300 -0.288 0.000 1.076 70 M CA 1.134 56.099 55.300 -0.558 0.000 1.126 70 M CB -0.877 30.907 32.600 -1.360 0.000 1.392 70 M HN 0.250 nan 8.290 nan 0.000 0.440 71 H N 1.233 120.133 119.070 -0.284 0.000 2.352 71 H HA -0.203 4.374 4.556 0.035 0.000 0.299 71 H C 2.033 177.349 175.328 -0.021 0.000 1.097 71 H CA 2.376 58.424 56.048 0.000 0.000 1.311 71 H CB -0.240 29.534 29.762 0.021 0.000 1.377 71 H HN 0.322 nan 8.280 nan 0.000 0.504 72 Q N 0.400 120.100 119.800 -0.168 0.000 2.124 72 Q HA -0.030 4.331 4.340 0.036 0.000 0.202 72 Q C 2.374 178.281 176.000 -0.155 0.000 0.977 72 Q CA 1.930 57.601 55.803 -0.221 0.000 0.850 72 Q CB -0.723 27.901 28.738 -0.190 0.000 0.901 72 Q HN 0.532 nan 8.270 nan 0.000 0.429 73 A N 0.158 122.899 122.820 -0.131 0.000 1.972 73 A HA -0.028 4.314 4.320 0.036 0.000 0.219 73 A C 2.251 179.776 177.584 -0.099 0.000 1.169 73 A CA 1.775 53.748 52.037 -0.108 0.000 0.635 73 A CB -1.032 17.902 19.000 -0.110 0.000 0.810 73 A HN 0.536 nan 8.150 nan 0.000 0.446 74 A N -0.246 122.546 122.820 -0.047 0.000 1.872 74 A HA 0.058 4.400 4.320 0.036 0.000 0.214 74 A C 2.127 179.696 177.584 -0.025 0.000 1.187 74 A CA 1.251 53.292 52.037 0.006 0.000 0.614 74 A CB -0.567 18.525 19.000 0.154 0.000 0.826 74 A HN 0.444 nan 8.150 nan 0.000 0.442 75 L N -0.274 120.897 121.223 -0.086 0.000 2.042 75 L HA -0.204 4.158 4.340 0.036 0.000 0.210 75 L C 2.466 179.299 176.870 -0.061 0.000 1.076 75 L CA 1.110 55.896 54.840 -0.090 0.000 0.749 75 L CB -0.600 41.349 42.059 -0.184 0.000 0.893 75 L HN 0.389 nan 8.230 nan 0.000 0.432 76 L N -0.658 120.519 121.223 -0.076 0.000 2.191 76 L HA -0.115 4.246 4.340 0.036 0.000 0.212 76 L C 2.641 179.486 176.870 -0.042 0.000 1.103 76 L CA 1.131 55.933 54.840 -0.064 0.000 0.769 76 L CB -1.160 40.857 42.059 -0.070 0.000 0.908 76 L HN 0.325 nan 8.230 nan 0.000 0.438 77 G N -0.537 108.242 108.800 -0.035 0.000 2.402 77 G HA2 -0.305 3.677 3.960 0.036 0.000 0.216 77 G HA3 -0.305 3.677 3.960 0.036 0.000 0.216 77 G C 1.517 176.414 174.900 -0.003 0.000 1.162 77 G CA 0.579 45.670 45.100 -0.015 0.000 0.777 77 G HN 0.381 nan 8.290 nan 0.000 0.539 78 Q N 0.125 119.922 119.800 -0.006 0.000 2.119 78 Q HA 0.066 4.427 4.340 0.036 0.000 0.201 78 Q C 2.715 178.716 176.000 0.003 0.000 0.972 78 Q CA 1.406 57.209 55.803 -0.001 0.000 0.847 78 Q CB -0.293 28.440 28.738 -0.008 0.000 0.903 78 Q HN 0.397 nan 8.270 nan 0.000 0.433 79 A N 0.627 123.441 122.820 -0.011 0.000 1.972 79 A HA -0.125 4.216 4.320 0.036 0.000 0.219 79 A C 1.986 179.557 177.584 -0.022 0.000 1.169 79 A CA 0.981 53.005 52.037 -0.021 0.000 0.635 79 A CB -0.563 18.403 19.000 -0.057 0.000 0.810 79 A HN 0.459 nan 8.150 nan 0.000 0.446 80 L N -1.059 120.153 121.223 -0.019 0.000 2.093 80 L HA -0.228 4.134 4.340 0.036 0.000 0.208 80 L C 2.859 179.749 176.870 0.035 0.000 1.085 80 L CA 1.473 56.308 54.840 -0.009 0.000 0.755 80 L CB -0.664 41.394 42.059 -0.002 0.000 0.904 80 L HN 0.514 nan 8.230 nan 0.000 0.435 81 Q N -0.160 119.664 119.800 0.040 0.000 2.046 81 Q HA -0.198 4.164 4.340 0.036 0.000 0.200 81 Q C 1.816 177.874 176.000 0.097 0.000 0.975 81 Q CA 1.425 57.264 55.803 0.061 0.000 0.836 81 Q CB -0.052 28.712 28.738 0.044 0.000 0.896 81 Q HN 0.407 nan 8.270 nan 0.000 0.428 82 D N 0.240 120.701 120.400 0.102 0.000 2.158 82 D HA -0.153 4.508 4.640 0.036 0.000 0.197 82 D C 2.048 178.525 176.300 0.294 0.000 0.995 82 D CA 1.631 55.741 54.000 0.183 0.000 0.846 82 D CB -0.261 40.637 40.800 0.163 0.000 0.941 82 D HN 0.245 nan 8.370 nan 0.000 0.456 83 S N -0.166 115.666 115.700 0.221 0.000 2.442 83 S HA -0.124 4.368 4.470 0.036 0.000 0.236 83 S C 1.939 176.787 174.600 0.415 0.000 1.007 83 S CA 0.535 58.942 58.200 0.345 0.000 0.965 83 S CB -0.062 63.227 63.200 0.147 0.000 0.773 83 S HN 0.082 nan 8.310 nan 0.000 0.504 84 R N 1.751 122.409 120.500 0.264 0.000 2.080 84 R HA 0.044 4.405 4.340 0.036 0.000 0.236 84 R C 2.159 178.566 176.300 0.177 0.000 1.137 84 R CA 1.818 58.039 56.100 0.201 0.000 0.943 84 R CB -0.478 29.900 30.300 0.130 0.000 0.846 84 R HN 0.387 nan 8.270 nan 0.000 0.431 85 N N -0.706 118.092 118.700 0.163 0.000 2.309 85 N HA -0.129 4.632 4.740 0.036 0.000 0.182 85 N C 0.746 176.278 175.510 0.036 0.000 1.018 85 N CA 1.035 54.125 53.050 0.066 0.000 0.876 85 N CB -0.037 38.453 38.487 0.005 0.000 0.972 85 N HN 0.308 nan 8.380 nan 0.000 0.434 86 Y N -0.556 119.805 120.300 0.101 0.000 2.502 86 Y HA 0.185 4.757 4.550 0.036 0.000 0.295 86 Y C 1.676 177.536 175.900 -0.066 0.000 1.193 86 Y CA 0.363 58.502 58.100 0.066 0.000 1.295 86 Y CB 0.086 38.650 38.460 0.173 0.000 1.059 86 Y HN 0.124 nan 8.280 nan 0.000 0.514 87 G N -1.748 107.092 108.800 0.066 0.000 2.179 87 G HA2 -0.257 3.725 3.960 0.036 0.000 0.220 87 G HA3 -0.257 3.725 3.960 0.036 0.000 0.220 87 G C -0.255 174.553 174.900 -0.153 0.000 0.990 87 G CA -0.550 44.488 45.100 -0.102 0.000 0.646 87 G HN 0.285 nan 8.290 nan 0.000 0.517 88 W N 1.711 123.059 121.300 0.081 0.000 2.316 88 W HA 0.610 5.292 4.660 0.037 0.000 0.311 88 W C 0.805 177.351 176.519 0.044 0.000 1.217 88 W CA -0.708 56.669 57.345 0.053 0.000 1.199 88 W CB 0.786 30.274 29.460 0.046 0.000 1.202 88 W HN -0.120 nan 8.180 nan 0.000 0.528 89 K N 3.588 124.147 120.400 0.265 0.000 2.142 89 K HA 0.304 4.645 4.320 0.036 0.000 0.250 89 K C -0.659 176.029 176.600 0.147 0.000 1.148 89 K CA -0.251 56.131 56.287 0.158 0.000 1.040 89 K CB 0.155 32.718 32.500 0.105 0.000 1.569 89 K HN 0.222 nan 8.250 nan 0.000 0.361 90 V N 1.328 121.326 119.914 0.139 0.000 2.715 90 V HA 0.161 4.303 4.120 0.036 0.000 0.310 90 V C 0.342 176.481 176.094 0.075 0.000 1.054 90 V CA -1.037 61.322 62.300 0.099 0.000 0.928 90 V CB 2.017 33.895 31.823 0.091 0.000 1.007 90 V HN 0.551 nan 8.190 nan 0.000 0.437 91 E N 1.676 121.911 120.200 0.058 0.000 2.447 91 E HA -0.031 4.341 4.350 0.036 0.000 0.259 91 E C 1.024 177.653 176.600 0.049 0.000 1.196 91 E CA 0.580 57.009 56.400 0.049 0.000 0.995 91 E CB 0.447 30.171 29.700 0.041 0.000 0.974 91 E HN 0.705 nan 8.360 nan 0.000 0.465 92 E N -0.026 120.199 120.200 0.043 0.000 2.216 92 E HA -0.024 4.348 4.350 0.036 0.000 0.192 92 E C -0.419 176.204 176.600 0.039 0.000 0.988 92 E CA 1.031 57.456 56.400 0.041 0.000 0.834 92 E CB 0.194 29.915 29.700 0.034 0.000 0.772 92 E HN 0.564 nan 8.360 nan 0.000 0.479 93 T N -0.476 114.101 114.554 0.038 0.000 2.890 93 T HA 0.485 4.856 4.350 0.036 0.000 0.295 93 T C -0.341 174.385 174.700 0.043 0.000 0.993 93 T CA -0.939 61.185 62.100 0.039 0.000 0.979 93 T CB 1.675 70.564 68.868 0.035 0.000 0.967 93 T HN -0.108 nan 8.240 nan 0.000 0.441 94 V N 1.335 121.278 119.914 0.049 0.000 2.435 94 V HA 0.618 4.760 4.120 0.036 0.000 0.290 94 V C -0.100 176.038 176.094 0.074 0.000 1.030 94 V CA -1.243 61.090 62.300 0.054 0.000 0.881 94 V CB 1.004 32.857 31.823 0.050 0.000 0.983 94 V HN 0.803 nan 8.190 nan 0.000 0.445 95 K N 2.964 123.408 120.400 0.075 0.000 2.144 95 K HA 0.439 4.780 4.320 0.036 0.000 0.270 95 K C -0.315 176.369 176.600 0.141 0.000 1.005 95 K CA -0.468 55.878 56.287 0.098 0.000 0.932 95 K CB 0.823 33.364 32.500 0.070 0.000 1.021 95 K HN 0.867 nan 8.250 nan 0.000 0.462 96 H N 1.225 120.334 119.070 0.065 0.000 2.524 96 H HA 0.195 4.773 4.556 0.036 0.000 0.353 96 H C -1.375 174.016 175.328 0.105 0.000 1.136 96 H CA -0.733 55.362 56.048 0.078 0.000 1.193 96 H CB 1.839 31.661 29.762 0.100 0.000 1.558 96 H HN 0.614 nan 8.280 nan 0.000 0.515 97 D N 4.756 124.822 120.400 -0.556 0.000 2.427 97 D HA 0.013 4.674 4.640 0.036 0.000 0.226 97 D C 1.049 177.133 176.300 -0.359 0.000 1.076 97 D CA -0.580 53.238 54.000 -0.302 0.000 0.849 97 D CB 0.399 41.089 40.800 -0.184 0.000 1.052 97 D HN 0.556 nan 8.370 nan 0.000 0.515 98 W N 3.993 125.196 121.300 -0.162 0.000 2.317 98 W HA -0.248 4.430 4.660 0.030 0.000 0.318 98 W C 0.623 177.121 176.519 -0.035 0.000 1.227 98 W CA 1.356 58.696 57.345 -0.008 0.000 1.269 98 W CB 0.096 29.599 29.460 0.071 0.000 1.155 98 W HN 0.456 nan 8.180 nan 0.000 0.484 99 D N -0.253 120.179 120.400 0.053 0.000 2.092 99 D HA -0.216 4.446 4.640 0.036 0.000 0.193 99 D C 2.280 178.497 176.300 -0.139 0.000 0.994 99 D CA 1.458 55.435 54.000 -0.039 0.000 0.828 99 D CB -0.706 40.131 40.800 0.061 0.000 0.963 99 D HN 0.135 nan 8.370 nan 0.000 0.450 100 R N -0.010 120.408 120.500 -0.136 0.000 2.105 100 R HA -0.115 4.246 4.340 0.036 0.000 0.239 100 R C 2.298 178.492 176.300 -0.176 0.000 1.135 100 R CA 0.798 56.814 56.100 -0.140 0.000 0.967 100 R CB -0.422 29.795 30.300 -0.138 0.000 0.861 100 R HN 0.287 nan 8.270 nan 0.000 0.442 101 M N 0.248 119.701 119.600 -0.245 0.000 2.059 101 M HA -0.201 4.301 4.480 0.036 0.000 0.259 101 M C 1.996 178.127 176.300 -0.281 0.000 1.072 101 M CA 1.592 56.756 55.300 -0.227 0.000 1.117 101 M CB -0.096 32.395 32.600 -0.181 0.000 1.320 101 M HN 0.019 nan 8.290 nan 0.000 0.408 102 I N 0.943 121.250 120.570 -0.439 0.000 2.145 102 I HA -0.334 3.857 4.170 0.036 0.000 0.244 102 I C 2.184 178.187 176.117 -0.190 0.000 1.075 102 I CA 1.838 62.915 61.300 -0.370 0.000 1.332 102 I CB -1.703 36.046 38.000 -0.418 0.000 1.033 102 I HN 0.453 nan 8.210 nan 0.000 0.410 103 E N 0.756 120.864 120.200 -0.153 0.000 2.070 103 E HA -0.247 4.125 4.350 0.036 0.000 0.197 103 E C 2.297 178.854 176.600 -0.073 0.000 1.004 103 E CA 1.674 58.023 56.400 -0.086 0.000 0.805 103 E CB -0.178 29.480 29.700 -0.069 0.000 0.744 103 E HN 0.550 nan 8.360 nan 0.000 0.451 104 A N 0.951 123.716 122.820 -0.092 0.000 1.877 104 A HA -0.138 4.204 4.320 0.036 0.000 0.216 104 A C 2.541 180.089 177.584 -0.060 0.000 1.186 104 A CA 1.248 53.242 52.037 -0.072 0.000 0.620 104 A CB -0.677 18.270 19.000 -0.089 0.000 0.822 104 A HN 0.116 nan 8.150 nan 0.000 0.443 105 V N -0.008 119.846 119.914 -0.100 0.000 2.295 105 V HA -0.260 3.881 4.120 0.036 0.000 0.246 105 V C 2.752 178.824 176.094 -0.036 0.000 1.049 105 V CA 2.066 64.311 62.300 -0.092 0.000 1.024 105 V CB -0.750 30.975 31.823 -0.163 0.000 0.648 105 V HN 0.526 nan 8.190 nan 0.000 0.447 106 Q N -0.121 119.654 119.800 -0.042 0.000 2.124 106 Q HA -0.218 4.144 4.340 0.036 0.000 0.202 106 Q C 2.109 178.116 176.000 0.012 0.000 0.977 106 Q CA 2.022 57.822 55.803 -0.006 0.000 0.850 106 Q CB -0.786 27.954 28.738 0.003 0.000 0.901 106 Q HN 0.776 nan 8.270 nan 0.000 0.429 107 N N -0.185 118.518 118.700 0.007 0.000 2.142 107 N HA -0.194 4.568 4.740 0.036 0.000 0.186 107 N C 1.727 177.251 175.510 0.023 0.000 1.023 107 N CA 1.461 54.518 53.050 0.012 0.000 0.852 107 N CB -0.123 38.363 38.487 -0.001 0.000 0.998 107 N HN 0.281 nan 8.380 nan 0.000 0.424 108 H N 0.391 119.432 119.070 -0.048 0.000 2.293 108 H HA 0.009 4.586 4.556 0.036 0.000 0.300 108 H C 1.921 177.233 175.328 -0.028 0.000 1.082 108 H CA 2.029 58.047 56.048 -0.050 0.000 1.308 108 H CB -0.392 29.322 29.762 -0.081 0.000 1.375 108 H HN 0.236 nan 8.280 nan 0.000 0.495 109 I N 0.082 120.602 120.570 -0.083 0.000 2.113 109 I HA -0.324 3.867 4.170 0.036 0.000 0.242 109 I C 2.714 178.800 176.117 -0.051 0.000 1.064 109 I CA 1.627 62.873 61.300 -0.091 0.000 1.320 109 I CB -1.147 36.836 38.000 -0.029 0.000 1.028 109 I HN 0.527 nan 8.210 nan 0.000 0.406 110 G N 0.133 108.942 108.800 0.015 0.000 2.476 110 G HA2 -0.363 3.618 3.960 0.036 0.000 0.218 110 G HA3 -0.363 3.618 3.960 0.036 0.000 0.218 110 G C 1.794 176.760 174.900 0.109 0.000 1.164 110 G CA 1.286 46.453 45.100 0.113 0.000 0.768 110 G HN 0.454 nan 8.290 nan 0.000 0.560 111 S N 0.089 115.777 115.700 -0.019 0.000 2.383 111 S HA -0.053 4.439 4.470 0.036 0.000 0.229 111 S C 2.453 177.007 174.600 -0.076 0.000 1.030 111 S CA 1.397 59.569 58.200 -0.047 0.000 1.002 111 S CB -0.265 62.852 63.200 -0.138 0.000 0.829 111 S HN 0.342 nan 8.310 nan 0.000 0.467 112 L N 1.280 122.396 121.223 -0.180 0.000 2.072 112 L HA -0.066 4.295 4.340 0.036 0.000 0.205 112 L C 2.629 179.512 176.870 0.022 0.000 1.079 112 L CA 1.009 55.766 54.840 -0.139 0.000 0.752 112 L CB -0.772 41.214 42.059 -0.122 0.000 0.906 112 L HN 0.310 nan 8.230 nan 0.000 0.436 113 N N -0.235 118.499 118.700 0.056 0.000 2.018 113 N HA -0.263 4.498 4.740 0.036 0.000 0.196 113 N C 1.640 177.100 175.510 -0.083 0.000 1.043 113 N CA 1.540 54.599 53.050 0.015 0.000 0.856 113 N CB -0.520 37.963 38.487 -0.006 0.000 1.042 113 N HN 0.398 nan 8.380 nan 0.000 0.423 114 W N 1.759 123.038 121.300 -0.035 0.000 2.325 114 W HA -0.106 4.571 4.660 0.030 0.000 0.299 114 W C 2.371 178.843 176.519 -0.077 0.000 1.215 114 W CA 1.650 58.966 57.345 -0.048 0.000 1.244 114 W CB -0.858 28.572 29.460 -0.050 0.000 1.140 114 W HN 0.156 nan 8.180 nan 0.000 0.523 115 G N -1.084 107.734 108.800 0.031 0.000 2.421 115 G HA2 -0.321 3.661 3.960 0.036 0.000 0.216 115 G HA3 -0.321 3.661 3.960 0.036 0.000 0.216 115 G C 1.185 175.977 174.900 -0.180 0.000 1.171 115 G CA 0.967 46.004 45.100 -0.105 0.000 0.775 115 G HN 0.199 nan 8.290 nan 0.000 0.543 116 Y N 0.477 120.696 120.300 -0.135 0.000 2.181 116 Y HA -0.059 4.512 4.550 0.035 0.000 0.288 116 Y C 2.963 178.715 175.900 -0.246 0.000 1.146 116 Y CA 1.513 59.504 58.100 -0.181 0.000 1.164 116 Y CB -0.368 37.967 38.460 -0.207 0.000 0.982 116 Y HN 0.088 nan 8.280 nan 0.000 0.515 117 R N -0.174 120.220 120.500 -0.177 0.000 2.080 117 R HA -0.174 4.187 4.340 0.036 0.000 0.236 117 R C 2.114 178.333 176.300 -0.135 0.000 1.137 117 R CA 2.053 57.980 56.100 -0.290 0.000 0.943 117 R CB -0.617 29.411 30.300 -0.453 0.000 0.846 117 R HN 0.181 nan 8.270 nan 0.000 0.431 118 V N 0.940 120.815 119.914 -0.064 0.000 2.332 118 V HA -0.259 3.882 4.120 0.036 0.000 0.248 118 V C 2.455 178.531 176.094 -0.030 0.000 1.055 118 V CA 1.910 64.205 62.300 -0.008 0.000 1.038 118 V CB -0.867 30.978 31.823 0.038 0.000 0.651 118 V HN 0.560 nan 8.190 nan 0.000 0.450 119 A N -0.174 122.614 122.820 -0.054 0.000 1.917 119 A HA -0.210 4.131 4.320 0.036 0.000 0.219 119 A C 2.245 179.813 177.584 -0.028 0.000 1.182 119 A CA 2.073 54.082 52.037 -0.047 0.000 0.633 119 A CB -0.558 18.407 19.000 -0.059 0.000 0.819 119 A HN 0.511 nan 8.150 nan 0.000 0.448 120 L N -1.564 119.638 121.223 -0.035 0.000 1.994 120 L HA -0.186 4.175 4.340 0.036 0.000 0.208 120 L C 2.782 179.645 176.870 -0.012 0.000 1.071 120 L CA 1.863 56.685 54.840 -0.031 0.000 0.745 120 L CB -0.463 41.554 42.059 -0.070 0.000 0.892 120 L HN 0.427 nan 8.230 nan 0.000 0.431 121 R N 0.381 120.876 120.500 -0.008 0.000 2.094 121 R HA -0.256 4.105 4.340 0.036 0.000 0.239 121 R C 2.292 178.595 176.300 0.006 0.000 1.137 121 R CA 2.035 58.142 56.100 0.012 0.000 0.943 121 R CB -0.316 29.997 30.300 0.022 0.000 0.850 121 R HN 0.351 nan 8.270 nan 0.000 0.433 122 E N 0.234 120.432 120.200 -0.003 0.000 2.118 122 E HA -0.207 4.165 4.350 0.036 0.000 0.195 122 E C 0.818 177.410 176.600 -0.013 0.000 0.992 122 E CA 1.215 57.611 56.400 -0.008 0.000 0.804 122 E CB 0.128 29.819 29.700 -0.015 0.000 0.741 122 E HN 0.276 nan 8.360 nan 0.000 0.458 123 K N 0.444 120.835 120.400 -0.015 0.000 2.458 123 K HA 0.015 4.356 4.320 0.036 0.000 0.194 123 K C -0.092 176.501 176.600 -0.013 0.000 1.024 123 K CA 0.193 56.468 56.287 -0.020 0.000 1.108 123 K CB 0.244 32.730 32.500 -0.023 0.000 0.846 123 K HN 0.109 nan 8.250 nan 0.000 0.518 124 K N 0.325 120.724 120.400 -0.002 0.000 3.125 124 K HA -0.130 4.212 4.320 0.036 0.000 0.268 124 K C -0.667 175.942 176.600 0.016 0.000 1.078 124 K CA 0.203 56.495 56.287 0.008 0.000 0.775 124 K CB -2.000 30.501 32.500 0.003 0.000 1.253 124 K HN -0.055 nan 8.250 nan 0.000 0.486 125 V N 1.423 121.345 119.914 0.013 0.000 2.435 125 V HA 0.243 4.385 4.120 0.036 0.000 0.290 125 V C 0.605 176.715 176.094 0.026 0.000 1.030 125 V CA -0.911 61.395 62.300 0.010 0.000 0.881 125 V CB 1.923 33.740 31.823 -0.010 0.000 0.983 125 V HN 0.101 nan 8.190 nan 0.000 0.445 126 V N 5.492 125.416 119.914 0.018 0.000 2.530 126 V HA 0.193 4.335 4.120 0.036 0.000 0.282 126 V C -0.570 175.523 176.094 -0.002 0.000 1.048 126 V CA -0.302 62.005 62.300 0.012 0.000 0.997 126 V CB 0.804 32.630 31.823 0.005 0.000 0.987 126 V HN 0.761 nan 8.190 nan 0.000 0.477 127 Y N 4.470 124.710 120.300 -0.101 0.000 2.328 127 Y HA 0.562 5.133 4.550 0.034 0.000 0.333 127 Y C -0.193 175.649 175.900 -0.096 0.000 0.958 127 Y CA -0.912 57.120 58.100 -0.113 0.000 1.167 127 Y CB 1.151 39.556 38.460 -0.091 0.000 1.151 127 Y HN 0.601 nan 8.280 nan 0.000 0.470 128 E N 5.177 125.019 120.200 -0.596 0.000 2.158 128 E HA 0.140 4.511 4.350 0.036 0.000 0.271 128 E C -0.947 175.170 176.600 -0.805 0.000 0.911 128 E CA -0.570 55.477 56.400 -0.588 0.000 0.767 128 E CB 1.457 30.975 29.700 -0.305 0.000 1.120 128 E HN 0.815 nan 8.360 nan 0.000 0.405 129 N N 2.120 120.372 118.700 -0.747 0.000 2.868 129 N HA 0.340 5.102 4.740 0.036 0.000 0.252 129 N C -1.263 174.277 175.510 0.050 0.000 1.130 129 N CA -0.040 52.771 53.050 -0.399 0.000 1.026 129 N CB 0.182 38.513 38.487 -0.261 0.000 1.335 129 N HN 0.406 nan 8.380 nan 0.000 0.516 130 A N 2.751 125.641 122.820 0.117 0.000 2.594 130 A HA 0.247 4.588 4.320 0.036 0.000 0.295 130 A C -1.870 175.778 177.584 0.106 0.000 1.071 130 A CA -0.640 51.465 52.037 0.115 0.000 0.685 130 A CB 0.789 19.784 19.000 -0.009 0.000 1.285 130 A HN 0.607 nan 8.150 nan 0.000 0.405 131 Y N 1.092 121.249 120.300 -0.238 0.000 2.359 131 Y HA 0.477 5.049 4.550 0.035 0.000 0.330 131 Y C 0.839 176.681 175.900 -0.097 0.000 1.143 131 Y CA 1.149 59.160 58.100 -0.149 0.000 1.318 131 Y CB 0.973 39.212 38.460 -0.369 0.000 1.234 131 Y HN 0.874 nan 8.280 nan 0.000 0.522 132 G N 4.271 112.870 108.800 -0.335 0.000 2.489 132 G HA2 0.630 4.611 3.960 0.036 0.000 0.327 132 G HA3 0.630 4.611 3.960 0.036 0.000 0.327 132 G C -1.917 172.943 174.900 -0.066 0.000 1.189 132 G CA -0.879 44.136 45.100 -0.142 0.000 0.962 132 G HN 0.674 nan 8.290 nan 0.000 0.486 133 Q N 0.058 119.838 119.800 -0.033 0.000 2.518 133 Q HA 0.235 4.597 4.340 0.036 0.000 0.254 133 Q C -1.726 174.287 176.000 0.022 0.000 0.962 133 Q CA -0.821 55.003 55.803 0.034 0.000 0.982 133 Q CB 0.985 29.822 28.738 0.165 0.000 1.516 133 Q HN 0.371 nan 8.270 nan 0.000 0.426 134 F N 2.400 122.367 119.950 0.028 0.000 2.459 134 F HA 0.225 4.775 4.527 0.037 0.000 0.346 134 F C 1.638 177.437 175.800 -0.002 0.000 1.128 134 F CA 0.020 58.007 58.000 -0.022 0.000 1.268 134 F CB 0.692 39.631 39.000 -0.102 0.000 1.161 134 F HN 0.658 nan 8.300 nan 0.000 0.583 135 I N -1.306 119.389 120.570 0.208 0.000 4.471 135 I HA 0.618 4.810 4.170 0.036 0.000 0.326 135 I C 0.625 176.794 176.117 0.087 0.000 1.300 135 I CA 0.147 61.519 61.300 0.119 0.000 1.237 135 I CB 0.541 38.595 38.000 0.089 0.000 1.195 135 I HN 0.551 nan 8.210 nan 0.000 0.427 136 G N 0.889 109.745 108.800 0.093 0.000 2.506 136 G HA2 0.421 4.402 3.960 0.036 0.000 0.292 136 G HA3 0.421 4.402 3.960 0.036 0.000 0.292 136 G C -3.235 171.700 174.900 0.058 0.000 1.425 136 G CA -1.031 44.103 45.100 0.057 0.000 0.788 136 G HN -0.246 nan 8.290 nan 0.000 0.490 137 P HA 0.038 nan 4.420 nan 0.000 0.263 137 P C 0.163 177.569 177.300 0.177 0.000 1.168 137 P CA 0.714 63.890 63.100 0.128 0.000 0.759 137 P CB -0.038 31.772 31.700 0.183 0.000 0.782 138 H N -0.149 118.877 119.070 -0.074 0.000 2.740 138 H HA -0.241 4.336 4.556 0.036 0.000 0.306 138 H C 0.170 175.561 175.328 0.105 0.000 1.096 138 H CA 0.888 56.874 56.048 -0.102 0.000 1.155 138 H CB -0.876 28.702 29.762 -0.307 0.000 1.367 138 H HN 0.488 nan 8.280 nan 0.000 0.387 139 R N -0.039 120.573 120.500 0.188 0.000 2.604 139 R HA 0.666 5.028 4.340 0.036 0.000 0.281 139 R C -0.648 175.806 176.300 0.258 0.000 1.020 139 R CA -0.708 55.553 56.100 0.270 0.000 0.899 139 R CB 2.648 33.067 30.300 0.199 0.000 1.205 139 R HN 0.155 nan 8.270 nan 0.000 0.450 140 I N 0.947 121.703 120.570 0.309 0.000 2.934 140 I HA 0.465 4.656 4.170 0.036 0.000 0.306 140 I C -1.391 174.827 176.117 0.168 0.000 1.110 140 I CA -0.731 60.696 61.300 0.211 0.000 1.019 140 I CB 2.075 40.210 38.000 0.226 0.000 1.227 140 I HN 0.474 nan 8.210 nan 0.000 0.434 141 K N 5.300 125.761 120.400 0.102 0.000 2.259 141 K HA 0.836 5.177 4.320 0.036 0.000 0.252 141 K C -1.715 174.934 176.600 0.082 0.000 0.936 141 K CA -0.663 55.663 56.287 0.065 0.000 0.810 141 K CB 1.828 34.354 32.500 0.043 0.000 1.143 141 K HN 0.695 nan 8.250 nan 0.000 0.427 142 A N 2.787 125.659 122.820 0.086 0.000 2.319 142 A HA 0.435 4.776 4.320 0.036 0.000 0.310 142 A C -0.998 176.604 177.584 0.031 0.000 1.152 142 A CA -0.615 51.482 52.037 0.099 0.000 0.783 142 A CB 1.582 20.724 19.000 0.237 0.000 1.184 142 A HN 0.651 nan 8.150 nan 0.000 0.474 143 T N 3.402 117.947 114.554 -0.015 0.000 2.758 143 T HA 0.372 4.744 4.350 0.036 0.000 0.285 143 T C 0.644 175.237 174.700 -0.179 0.000 0.981 143 T CA -0.529 61.514 62.100 -0.094 0.000 0.965 143 T CB 0.414 69.198 68.868 -0.139 0.000 0.927 143 T HN 0.917 nan 8.240 nan 0.000 0.448 144 N N 3.358 121.986 118.700 -0.120 0.000 2.332 144 N HA 0.050 4.811 4.740 0.036 0.000 0.282 144 N C 1.313 176.725 175.510 -0.163 0.000 1.288 144 N CA -0.389 52.599 53.050 -0.105 0.000 0.949 144 N CB 0.120 38.597 38.487 -0.016 0.000 1.108 144 N HN 0.488 nan 8.380 nan 0.000 0.542 145 N N -0.262 118.452 118.700 0.023 0.000 2.300 145 N HA -0.128 4.633 4.740 0.036 0.000 0.179 145 N C 0.686 176.207 175.510 0.018 0.000 1.016 145 N CA 1.102 54.210 53.050 0.096 0.000 0.876 145 N CB -0.115 38.531 38.487 0.264 0.000 0.979 145 N HN 0.557 nan 8.380 nan 0.000 0.432 146 K N -0.604 119.799 120.400 0.006 0.000 2.366 146 K HA 0.113 4.454 4.320 0.036 0.000 0.198 146 K C 1.028 177.609 176.600 -0.031 0.000 1.044 146 K CA 0.763 57.048 56.287 -0.004 0.000 0.973 146 K CB 0.191 32.693 32.500 0.004 0.000 0.767 146 K HN 0.483 nan 8.250 nan 0.000 0.475 147 G N 0.901 109.666 108.800 -0.058 0.000 2.481 147 G HA2 -0.205 3.777 3.960 0.036 0.000 0.200 147 G HA3 -0.205 3.777 3.960 0.036 0.000 0.200 147 G C -0.484 174.380 174.900 -0.060 0.000 1.012 147 G CA -0.648 44.411 45.100 -0.070 0.000 0.676 147 G HN 0.087 nan 8.290 nan 0.000 0.488 148 K N 2.431 122.806 120.400 -0.041 0.000 2.530 148 K HA 0.377 4.718 4.320 0.036 0.000 0.280 148 K C 0.484 177.061 176.600 -0.040 0.000 1.004 148 K CA 0.906 57.174 56.287 -0.032 0.000 1.071 148 K CB 0.275 32.765 32.500 -0.017 0.000 0.876 148 K HN 0.676 nan 8.250 nan 0.000 0.487 149 E N 2.462 122.637 120.200 -0.041 0.000 2.320 149 E HA 0.550 4.921 4.350 0.036 0.000 0.264 149 E C -0.789 175.771 176.600 -0.068 0.000 0.923 149 E CA -1.187 55.185 56.400 -0.047 0.000 0.796 149 E CB 2.173 31.844 29.700 -0.047 0.000 1.262 149 E HN 0.282 nan 8.360 nan 0.000 0.428 150 K N 0.788 121.121 120.400 -0.111 0.000 2.575 150 K HA 0.466 4.808 4.320 0.036 0.000 0.279 150 K C -1.330 175.037 176.600 -0.389 0.000 0.969 150 K CA -0.807 55.327 56.287 -0.254 0.000 0.868 150 K CB 1.720 34.035 32.500 -0.309 0.000 1.457 150 K HN 0.333 nan 8.250 nan 0.000 0.426 151 I N 1.966 122.250 120.570 -0.477 0.000 2.474 151 I HA 0.422 4.614 4.170 0.036 0.000 0.294 151 I C -0.878 174.974 176.117 -0.442 0.000 1.005 151 I CA -0.725 60.381 61.300 -0.323 0.000 1.113 151 I CB 0.839 38.779 38.000 -0.101 0.000 1.289 151 I HN 0.564 nan 8.210 nan 0.000 0.436 152 Y N 2.483 122.877 120.300 0.156 0.000 2.536 152 Y HA 0.535 5.106 4.550 0.034 0.000 0.347 152 Y C 0.535 176.611 175.900 0.293 0.000 1.000 152 Y CA -0.854 57.376 58.100 0.217 0.000 1.051 152 Y CB 2.175 40.751 38.460 0.194 0.000 1.259 152 Y HN 0.598 nan 8.280 nan 0.000 0.468 153 S N 1.258 117.247 115.700 0.482 0.000 2.621 153 S HA 0.988 5.479 4.470 0.036 0.000 0.302 153 S C -0.780 174.078 174.600 0.430 0.000 1.093 153 S CA -0.365 58.112 58.200 0.462 0.000 1.017 153 S CB 1.982 65.443 63.200 0.435 0.000 1.077 153 S HN 1.183 nan 8.310 nan 0.000 0.517 154 A N 0.584 123.593 122.820 0.316 0.000 2.605 154 A HA 0.579 4.920 4.320 0.036 0.000 0.294 154 A C 0.160 177.665 177.584 -0.131 0.000 1.062 154 A CA -0.405 51.704 52.037 0.120 0.000 0.682 154 A CB 0.862 19.741 19.000 -0.202 0.000 1.278 154 A HN 0.962 nan 8.150 nan 0.000 0.410 155 E N 0.193 120.337 120.200 -0.093 0.000 2.274 155 E HA 0.001 4.372 4.350 0.036 0.000 0.194 155 E C 0.469 177.222 176.600 0.255 0.000 0.996 155 E CA 0.933 57.303 56.400 -0.051 0.000 0.840 155 E CB 0.126 30.015 29.700 0.317 0.000 0.772 155 E HN 0.508 nan 8.360 nan 0.000 0.491 156 R N -1.193 119.515 120.500 0.348 0.000 2.710 156 R HA 0.374 4.736 4.340 0.036 0.000 0.270 156 R C -1.599 175.006 176.300 0.507 0.000 1.021 156 R CA -0.711 55.710 56.100 0.536 0.000 0.889 156 R CB 1.187 31.745 30.300 0.430 0.000 1.243 156 R HN -0.105 nan 8.270 nan 0.000 0.464 157 F N 0.969 121.096 119.950 0.296 0.000 2.576 157 F HA 0.548 5.096 4.527 0.035 0.000 0.313 157 F C -0.720 175.216 175.800 0.228 0.000 1.078 157 F CA -0.949 57.196 58.000 0.242 0.000 0.921 157 F CB 1.844 41.048 39.000 0.340 0.000 1.232 157 F HN 0.220 nan 8.300 nan 0.000 0.459 158 L N 4.120 125.518 121.223 0.292 0.000 2.381 158 L HA 0.665 5.026 4.340 0.036 0.000 0.274 158 L C -1.297 175.684 176.870 0.185 0.000 0.988 158 L CA -0.402 54.576 54.840 0.231 0.000 0.824 158 L CB 1.310 43.449 42.059 0.134 0.000 1.263 158 L HN 0.476 nan 8.230 nan 0.000 0.410 159 I N 5.623 126.306 120.570 0.188 0.000 2.297 159 I HA 0.575 4.767 4.170 0.036 0.000 0.291 159 I C 0.118 176.291 176.117 0.093 0.000 1.033 159 I CA -0.364 61.020 61.300 0.140 0.000 1.253 159 I CB 1.277 39.371 38.000 0.156 0.000 1.396 159 I HN 0.821 nan 8.210 nan 0.000 0.476 160 A N 3.839 126.692 122.820 0.055 0.000 3.082 160 A HA 0.429 4.771 4.320 0.036 0.000 0.328 160 A C 0.402 178.001 177.584 0.025 0.000 1.089 160 A CA -0.302 51.761 52.037 0.042 0.000 0.802 160 A CB 0.494 19.511 19.000 0.029 0.000 1.138 160 A HN 0.645 nan 8.150 nan 0.000 0.474 161 T N 0.164 114.739 114.554 0.035 0.000 3.001 161 T HA 0.442 4.813 4.350 0.036 0.000 0.251 161 T C 1.238 175.970 174.700 0.053 0.000 1.040 161 T CA 1.307 63.423 62.100 0.027 0.000 0.985 161 T CB -0.094 68.784 68.868 0.016 0.000 1.011 161 T HN 1.966 nan 8.240 nan 0.000 0.509 162 G N 1.561 110.398 108.800 0.062 0.000 2.645 162 G HA2 -0.172 3.810 3.960 0.036 0.000 0.246 162 G HA3 -0.172 3.810 3.960 0.036 0.000 0.246 162 G C -0.575 174.381 174.900 0.093 0.000 1.322 162 G CA -0.164 44.983 45.100 0.078 0.000 0.898 162 G HN 0.471 nan 8.290 nan 0.000 0.573 163 E N -0.860 119.406 120.200 0.110 0.000 2.458 163 E HA 0.816 5.187 4.350 0.036 0.000 0.250 163 E C -0.145 176.543 176.600 0.147 0.000 0.883 163 E CA -1.137 55.334 56.400 0.120 0.000 0.868 163 E CB 1.587 31.351 29.700 0.107 0.000 1.593 163 E HN 0.507 nan 8.360 nan 0.000 0.410 164 R N 0.255 120.845 120.500 0.150 0.000 2.710 164 R HA 0.342 4.703 4.340 0.036 0.000 0.270 164 R C -2.876 173.518 176.300 0.157 0.000 1.021 164 R CA -2.166 54.040 56.100 0.177 0.000 0.889 164 R CB 1.575 31.994 30.300 0.199 0.000 1.243 164 R HN 0.298 nan 8.270 nan 0.000 0.464 165 P HA -0.000 nan 4.420 nan 0.000 0.260 165 P C -0.293 177.072 177.300 0.108 0.000 1.185 165 P CA 0.212 63.366 63.100 0.090 0.000 0.763 165 P CB 0.326 32.049 31.700 0.039 0.000 0.776 166 R N 3.767 124.315 120.500 0.080 0.000 2.641 166 R HA 0.238 4.600 4.340 0.036 0.000 0.269 166 R C -0.807 175.542 176.300 0.081 0.000 1.074 166 R CA 0.042 56.215 56.100 0.121 0.000 1.133 166 R CB 0.252 30.608 30.300 0.093 0.000 1.029 166 R HN 0.316 nan 8.270 nan 0.000 0.488 167 Y N 1.636 121.965 120.300 0.049 0.000 2.654 167 Y HA 0.400 4.971 4.550 0.034 0.000 0.327 167 Y C 0.010 175.932 175.900 0.037 0.000 1.122 167 Y CA -0.815 57.310 58.100 0.041 0.000 1.227 167 Y CB 1.395 39.876 38.460 0.036 0.000 1.370 167 Y HN 0.390 nan 8.280 nan 0.000 0.528 168 L N 0.518 121.878 121.223 0.228 0.000 2.325 168 L HA 0.505 4.866 4.340 0.036 0.000 0.279 168 L C 0.645 177.598 176.870 0.138 0.000 1.054 168 L CA -0.768 54.153 54.840 0.135 0.000 0.804 168 L CB 1.138 43.259 42.059 0.103 0.000 1.200 168 L HN 0.821 nan 8.230 nan 0.000 0.436 169 G N 4.553 113.407 108.800 0.091 0.000 2.985 169 G HA2 0.452 4.433 3.960 0.036 0.000 0.282 169 G HA3 0.452 4.433 3.960 0.036 0.000 0.282 169 G C -0.276 174.660 174.900 0.060 0.000 0.791 169 G CA -0.033 45.107 45.100 0.067 0.000 1.934 169 G HN 0.554 nan 8.290 nan 0.000 0.563 170 I N -1.494 119.120 120.570 0.074 0.000 2.894 170 I HA 0.623 4.814 4.170 0.036 0.000 0.302 170 I C -2.948 173.212 176.117 0.072 0.000 1.188 170 I CA -3.155 58.186 61.300 0.068 0.000 1.014 170 I CB 2.744 40.788 38.000 0.074 0.000 1.242 170 I HN -0.099 nan 8.210 nan 0.000 0.430 171 P HA 0.160 nan 4.420 nan 0.000 0.262 171 P C 0.663 178.038 177.300 0.125 0.000 1.182 171 P CA 1.750 64.898 63.100 0.079 0.000 0.761 171 P CB 0.593 32.338 31.700 0.075 0.000 0.795 172 G N 3.187 112.068 108.800 0.136 0.000 2.199 172 G HA2 -0.291 3.690 3.960 0.036 0.000 0.254 172 G HA3 -0.291 3.690 3.960 0.036 0.000 0.254 172 G C 0.936 175.952 174.900 0.194 0.000 0.982 172 G CA 0.666 45.920 45.100 0.256 0.000 0.632 172 G HN 0.589 nan 8.290 nan 0.000 0.529 173 D N 0.911 121.398 120.400 0.146 0.000 2.077 173 D HA -0.029 4.633 4.640 0.036 0.000 0.197 173 D C 2.007 178.437 176.300 0.217 0.000 0.983 173 D CA 1.504 55.639 54.000 0.224 0.000 0.841 173 D CB -0.784 40.209 40.800 0.322 0.000 0.992 173 D HN 0.405 nan 8.370 nan 0.000 0.450 174 K N 0.113 120.504 120.400 -0.015 0.000 2.281 174 K HA -0.140 4.202 4.320 0.036 0.000 0.203 174 K C 2.012 178.528 176.600 -0.140 0.000 1.046 174 K CA 1.484 57.620 56.287 -0.250 0.000 0.938 174 K CB -0.023 32.186 32.500 -0.484 0.000 0.737 174 K HN 0.346 nan 8.250 nan 0.000 0.458 175 E N -1.313 118.750 120.200 -0.229 0.000 2.216 175 E HA -0.061 4.310 4.350 0.036 0.000 0.192 175 E C 0.873 177.161 176.600 -0.520 0.000 0.973 175 E CA 0.810 56.936 56.400 -0.456 0.000 0.851 175 E CB 0.171 29.417 29.700 -0.757 0.000 0.804 175 E HN 0.305 nan 8.360 nan 0.000 0.477 176 Y N -0.787 119.562 120.300 0.081 0.000 2.467 176 Y HA 0.275 4.847 4.550 0.036 0.000 0.259 176 Y C 0.642 176.596 175.900 0.090 0.000 1.084 176 Y CA -1.135 57.010 58.100 0.075 0.000 1.275 176 Y CB 0.253 38.747 38.460 0.056 0.000 1.208 176 Y HN -0.041 nan 8.280 nan 0.000 0.511 177 C N 2.712 122.156 119.300 0.240 0.000 2.459 177 C HA 0.593 5.075 4.460 0.036 0.000 0.374 177 C C 0.761 175.847 174.990 0.159 0.000 1.241 177 C CA -1.179 57.945 59.018 0.177 0.000 2.352 177 C CB -0.360 27.474 27.740 0.157 0.000 2.490 177 C HN 0.370 nan 8.230 nan 0.000 0.583 178 I N 1.025 121.642 120.570 0.079 0.000 3.100 178 I HA 0.897 5.089 4.170 0.036 0.000 0.312 178 I C -0.010 176.082 176.117 -0.041 0.000 1.063 178 I CA -0.106 61.229 61.300 0.058 0.000 1.031 178 I CB 2.024 40.054 38.000 0.050 0.000 1.243 178 I HN 0.706 nan 8.210 nan 0.000 0.483 179 S N 0.333 116.006 115.700 -0.045 0.000 2.776 179 S HA 0.287 4.778 4.470 0.036 0.000 0.292 179 S C 0.839 175.377 174.600 -0.103 0.000 1.187 179 S CA 0.002 58.138 58.200 -0.107 0.000 0.834 179 S CB 0.869 63.980 63.200 -0.149 0.000 1.199 179 S HN 1.050 nan 8.310 nan 0.000 0.514 180 S N 0.824 116.460 115.700 -0.106 0.000 2.389 180 S HA -0.265 4.226 4.470 0.036 0.000 0.231 180 S C 1.118 175.635 174.600 -0.138 0.000 1.052 180 S CA 2.336 60.447 58.200 -0.148 0.000 1.053 180 S CB -1.407 61.802 63.200 0.015 0.000 0.886 180 S HN 0.718 nan 8.310 nan 0.000 0.456 181 D N 1.583 121.986 120.400 0.006 0.000 2.182 181 D HA -0.051 4.611 4.640 0.036 0.000 0.201 181 D C 1.661 178.031 176.300 0.117 0.000 0.986 181 D CA 1.429 55.474 54.000 0.075 0.000 0.847 181 D CB -0.395 40.614 40.800 0.349 0.000 0.942 181 D HN 0.643 nan 8.370 nan 0.000 0.467 182 D N -0.423 120.018 120.400 0.069 0.000 2.259 182 D HA -0.033 4.628 4.640 0.036 0.000 0.216 182 D C 2.193 178.499 176.300 0.010 0.000 0.961 182 D CA -0.105 53.948 54.000 0.087 0.000 0.878 182 D CB 0.010 40.870 40.800 0.101 0.000 1.009 182 D HN 0.065 nan 8.370 nan 0.000 0.490 183 L N 1.104 122.252 121.223 -0.125 0.000 2.021 183 L HA -0.216 4.146 4.340 0.036 0.000 0.215 183 L C 1.799 178.630 176.870 -0.064 0.000 1.074 183 L CA 1.670 56.417 54.840 -0.155 0.000 0.760 183 L CB -0.819 41.009 42.059 -0.386 0.000 0.889 183 L HN -0.103 nan 8.230 nan 0.000 0.433 184 F N -0.689 119.326 119.950 0.107 0.000 2.722 184 F HA -0.021 4.527 4.527 0.034 0.000 0.298 184 F C 2.033 177.832 175.800 -0.001 0.000 1.175 184 F CA 0.777 58.794 58.000 0.028 0.000 1.462 184 F CB -1.025 37.937 39.000 -0.064 0.000 1.111 184 F HN 0.358 nan 8.300 nan 0.000 0.592 185 S N -1.864 113.932 115.700 0.160 0.000 2.900 185 S HA 0.251 4.742 4.470 0.036 0.000 0.253 185 S C 0.067 174.730 174.600 0.105 0.000 1.029 185 S CA -0.497 57.772 58.200 0.115 0.000 1.096 185 S CB -0.469 62.812 63.200 0.135 0.000 1.067 185 S HN 0.006 nan 8.310 nan 0.000 0.610 186 L N 4.374 125.684 121.223 0.145 0.000 2.593 186 L HA 0.179 4.540 4.340 0.036 0.000 0.287 186 L C -1.392 175.506 176.870 0.045 0.000 1.243 186 L CA -0.571 54.295 54.840 0.043 0.000 0.890 186 L CB 0.223 42.324 42.059 0.071 0.000 1.134 186 L HN 0.079 nan 8.230 nan 0.000 0.502 187 P HA 0.023 nan 4.420 nan 0.000 0.255 187 P C -1.310 176.023 177.300 0.055 0.000 1.248 187 P CA 0.455 63.555 63.100 0.001 0.000 0.807 187 P CB 0.093 31.845 31.700 0.085 0.000 1.150 188 Y N -2.974 117.478 120.300 0.255 0.000 2.597 188 Y HA 0.484 5.050 4.550 0.027 0.000 0.340 188 Y C -0.417 175.421 175.900 -0.103 0.000 1.097 188 Y CA -2.432 55.756 58.100 0.147 0.000 1.037 188 Y CB -0.078 38.417 38.460 0.058 0.000 1.305 188 Y HN -0.228 nan 8.280 nan 0.000 0.463 189 C N 4.134 123.395 119.300 -0.065 0.000 2.590 189 C HA 0.202 4.684 4.460 0.036 0.000 0.411 189 C C -1.160 173.627 174.990 -0.338 0.000 1.420 189 C CA -0.829 57.853 59.018 -0.560 0.000 1.643 189 C CB -0.081 27.586 27.740 -0.122 0.000 2.528 189 C HN 0.796 nan 8.230 nan 0.000 0.606 190 P HA 0.146 nan 4.420 nan 0.000 0.226 190 P C 1.042 178.271 177.300 -0.118 0.000 1.153 190 P CA 1.860 64.810 63.100 -0.249 0.000 0.777 190 P CB -0.221 31.251 31.700 -0.380 0.000 0.794 191 G N 0.386 109.103 108.800 -0.138 0.000 2.633 191 G HA2 -0.338 3.643 3.960 0.036 0.000 0.263 191 G HA3 -0.338 3.643 3.960 0.036 0.000 0.263 191 G C -0.269 174.606 174.900 -0.043 0.000 1.310 191 G CA -0.154 44.907 45.100 -0.066 0.000 0.914 191 G HN 0.472 nan 8.290 nan 0.000 0.569 192 K N 0.440 120.830 120.400 -0.016 0.000 2.404 192 K HA 0.259 4.600 4.320 0.036 0.000 0.271 192 K C 0.146 176.791 176.600 0.076 0.000 1.130 192 K CA 1.346 57.644 56.287 0.017 0.000 1.181 192 K CB -0.435 32.059 32.500 -0.009 0.000 0.840 192 K HN 0.584 nan 8.250 nan 0.000 0.483 193 T N 4.750 119.337 114.554 0.054 0.000 2.918 193 T HA 0.473 4.845 4.350 0.036 0.000 0.286 193 T C -1.133 173.562 174.700 -0.008 0.000 1.026 193 T CA -0.800 61.307 62.100 0.012 0.000 1.031 193 T CB 1.115 69.935 68.868 -0.080 0.000 1.046 193 T HN 0.556 nan 8.240 nan 0.000 0.479 194 L N 3.299 124.409 121.223 -0.188 0.000 2.406 194 L HA 0.762 5.123 4.340 0.036 0.000 0.270 194 L C -0.755 175.943 176.870 -0.287 0.000 0.982 194 L CA -0.754 53.855 54.840 -0.387 0.000 0.843 194 L CB 1.347 42.737 42.059 -1.115 0.000 1.225 194 L HN 0.488 nan 8.230 nan 0.000 0.412 195 V N 6.286 126.063 119.914 -0.229 0.000 2.481 195 V HA 0.668 4.810 4.120 0.036 0.000 0.286 195 V C -0.926 175.068 176.094 -0.166 0.000 1.042 195 V CA -0.216 61.972 62.300 -0.187 0.000 0.928 195 V CB 1.880 33.593 31.823 -0.183 0.000 0.986 195 V HN 0.561 nan 8.190 nan 0.000 0.462 196 V N 7.078 126.916 119.914 -0.127 0.000 2.384 196 V HA 0.965 5.106 4.120 0.036 0.000 0.287 196 V C 0.573 176.643 176.094 -0.040 0.000 1.020 196 V CA 0.603 62.854 62.300 -0.081 0.000 0.850 196 V CB 0.495 32.272 31.823 -0.076 0.000 0.987 196 V HN 1.658 nan 8.190 nan 0.000 0.436 197 G N 4.029 112.826 108.800 -0.004 0.000 2.406 197 G HA2 0.456 4.438 3.960 0.036 0.000 0.680 197 G HA3 0.456 4.438 3.960 0.036 0.000 0.680 197 G C -0.453 174.480 174.900 0.055 0.000 1.338 197 G CA -0.119 45.000 45.100 0.031 0.000 0.941 197 G HN 1.534 nan 8.290 nan 0.000 0.633 198 A N 0.091 122.967 122.820 0.093 0.000 2.959 198 A HA 0.781 5.123 4.320 0.036 0.000 0.280 198 A C 0.744 178.422 177.584 0.157 0.000 0.953 198 A CA 1.037 53.150 52.037 0.125 0.000 1.047 198 A CB -0.366 18.724 19.000 0.150 0.000 1.147 198 A HN 2.287 nan 8.150 nan 0.000 0.489 199 S N -1.080 114.716 115.700 0.161 0.000 2.693 199 S HA 0.416 4.908 4.470 0.036 0.000 0.276 199 S C 1.027 175.792 174.600 0.275 0.000 1.192 199 S CA 0.022 58.365 58.200 0.238 0.000 0.994 199 S CB 0.368 63.700 63.200 0.220 0.000 1.012 199 S HN 0.873 nan 8.310 nan 0.000 0.550 200 Y N 1.783 122.191 120.300 0.180 0.000 2.030 200 Y HA -0.239 4.333 4.550 0.036 0.000 0.272 200 Y C 1.952 177.919 175.900 0.112 0.000 1.185 200 Y CA 2.389 60.568 58.100 0.131 0.000 1.120 200 Y CB -1.156 37.449 38.460 0.241 0.000 0.955 200 Y HN 0.394 nan 8.280 nan 0.000 0.495 201 V N 1.137 121.138 119.914 0.145 0.000 2.282 201 V HA -0.393 3.749 4.120 0.036 0.000 0.249 201 V C 2.818 178.915 176.094 0.005 0.000 1.057 201 V CA 2.091 64.398 62.300 0.011 0.000 1.032 201 V CB -1.842 30.036 31.823 0.091 0.000 0.645 201 V HN 0.693 nan 8.190 nan 0.000 0.447 202 A N -0.021 122.822 122.820 0.038 0.000 1.859 202 A HA -0.212 4.129 4.320 0.036 0.000 0.217 202 A C 2.199 179.754 177.584 -0.048 0.000 1.198 202 A CA 2.286 54.315 52.037 -0.012 0.000 0.629 202 A CB -0.643 18.369 19.000 0.020 0.000 0.830 202 A HN 0.517 nan 8.150 nan 0.000 0.446 203 L N -1.015 120.210 121.223 0.002 0.000 2.056 203 L HA -0.184 4.177 4.340 0.036 0.000 0.207 203 L C 2.622 179.467 176.870 -0.042 0.000 1.078 203 L CA 1.594 56.432 54.840 -0.002 0.000 0.749 203 L CB -0.903 41.196 42.059 0.067 0.000 0.901 203 L HN 0.475 nan 8.230 nan 0.000 0.433 204 E N -0.072 120.103 120.200 -0.041 0.000 2.049 204 E HA -0.261 4.110 4.350 0.036 0.000 0.198 204 E C 2.331 178.872 176.600 -0.099 0.000 1.007 204 E CA 1.930 58.314 56.400 -0.027 0.000 0.809 204 E CB -0.275 29.408 29.700 -0.028 0.000 0.749 204 E HN 0.551 nan 8.360 nan 0.000 0.450 205 C N 0.614 119.783 119.300 -0.219 0.000 2.446 205 C HA -0.061 4.421 4.460 0.036 0.000 0.277 205 C C 2.934 177.502 174.990 -0.704 0.000 1.275 205 C CA 0.647 59.237 59.018 -0.714 0.000 1.727 205 C CB -1.027 26.474 27.740 -0.398 0.000 2.010 205 C HN 0.522 nan 8.230 nan 0.000 0.486 206 A N 1.075 123.682 122.820 -0.355 0.000 1.908 206 A HA 0.039 4.381 4.320 0.036 0.000 0.218 206 A C 2.339 179.792 177.584 -0.219 0.000 1.181 206 A CA 2.213 54.085 52.037 -0.274 0.000 0.627 206 A CB -1.318 17.549 19.000 -0.223 0.000 0.818 206 A HN 0.549 nan 8.150 nan 0.000 0.445 207 G N 0.247 108.955 108.800 -0.153 0.000 2.587 207 G HA2 -0.257 3.725 3.960 0.036 0.000 0.217 207 G HA3 -0.257 3.725 3.960 0.036 0.000 0.217 207 G C 1.394 176.315 174.900 0.034 0.000 1.240 207 G CA 1.500 46.591 45.100 -0.015 0.000 0.794 207 G HN 0.870 nan 8.290 nan 0.000 0.580 208 F N 0.748 120.765 119.950 0.112 0.000 2.269 208 F HA 0.137 4.684 4.527 0.034 0.000 0.301 208 F C 2.182 178.050 175.800 0.115 0.000 1.082 208 F CA 0.637 58.718 58.000 0.135 0.000 1.360 208 F CB -0.635 38.465 39.000 0.168 0.000 1.041 208 F HN 0.081 nan 8.300 nan 0.000 0.512 209 L N 0.555 121.678 121.223 -0.167 0.000 2.056 209 L HA -0.131 4.231 4.340 0.036 0.000 0.207 209 L C 2.929 179.820 176.870 0.036 0.000 1.078 209 L CA 1.319 56.151 54.840 -0.014 0.000 0.749 209 L CB -1.035 40.911 42.059 -0.188 0.000 0.901 209 L HN 0.396 nan 8.230 nan 0.000 0.433 210 A N 0.036 122.854 122.820 -0.003 0.000 1.898 210 A HA -0.098 4.243 4.320 0.036 0.000 0.216 210 A C 2.337 179.960 177.584 0.065 0.000 1.181 210 A CA 1.507 53.559 52.037 0.025 0.000 0.620 210 A CB -1.098 17.913 19.000 0.017 0.000 0.819 210 A HN 0.443 nan 8.150 nan 0.000 0.442 211 G N 0.688 109.546 108.800 0.097 0.000 2.448 211 G HA2 -0.117 3.865 3.960 0.036 0.000 0.219 211 G HA3 -0.117 3.865 3.960 0.036 0.000 0.219 211 G C 1.302 176.236 174.900 0.056 0.000 1.127 211 G CA 1.166 46.324 45.100 0.097 0.000 0.766 211 G HN 0.892 nan 8.290 nan 0.000 0.552 212 I N -3.315 117.296 120.570 0.068 0.000 3.812 212 I HA 0.555 4.747 4.170 0.036 0.000 0.320 212 I C 1.393 177.545 176.117 0.058 0.000 1.276 212 I CA 0.404 61.691 61.300 -0.020 0.000 1.164 212 I CB 0.311 38.268 38.000 -0.071 0.000 1.009 212 I HN 0.131 nan 8.210 nan 0.000 0.431 213 G N 1.262 110.102 108.800 0.068 0.000 2.184 213 G HA2 -0.157 3.824 3.960 0.036 0.000 0.206 213 G HA3 -0.157 3.824 3.960 0.036 0.000 0.206 213 G C -0.046 174.888 174.900 0.057 0.000 0.995 213 G CA -0.195 44.947 45.100 0.070 0.000 0.651 213 G HN 0.318 nan 8.290 nan 0.000 0.511 214 L N 1.055 122.307 121.223 0.048 0.000 2.379 214 L HA 0.507 4.869 4.340 0.036 0.000 0.269 214 L C 0.287 177.157 176.870 -0.000 0.000 1.084 214 L CA -0.992 53.857 54.840 0.015 0.000 0.802 214 L CB 0.918 42.968 42.059 -0.014 0.000 1.175 214 L HN 0.080 nan 8.230 nan 0.000 0.448 215 D N 1.915 122.310 120.400 -0.008 0.000 2.346 215 D HA 0.228 4.890 4.640 0.036 0.000 0.260 215 D C -0.959 175.333 176.300 -0.013 0.000 1.252 215 D CA 0.087 54.081 54.000 -0.010 0.000 0.895 215 D CB 0.885 41.677 40.800 -0.014 0.000 1.097 215 D HN 0.077 nan 8.370 nan 0.000 0.489 216 V N 3.456 123.353 119.914 -0.029 0.000 2.680 216 V HA 0.517 4.658 4.120 0.036 0.000 0.309 216 V C 0.337 176.385 176.094 -0.077 0.000 1.052 216 V CA -0.684 61.581 62.300 -0.059 0.000 0.908 216 V CB 2.352 34.114 31.823 -0.102 0.000 1.001 216 V HN 0.558 nan 8.190 nan 0.000 0.431 217 T N 2.626 117.128 114.554 -0.087 0.000 2.900 217 T HA 0.672 5.043 4.350 0.036 0.000 0.295 217 T C -1.037 173.519 174.700 -0.240 0.000 1.044 217 T CA -0.482 61.544 62.100 -0.124 0.000 0.995 217 T CB 2.033 70.926 68.868 0.042 0.000 1.072 217 T HN 0.369 nan 8.240 nan 0.000 0.473 218 V N 3.209 122.908 119.914 -0.359 0.000 2.443 218 V HA 0.456 4.598 4.120 0.036 0.000 0.293 218 V C -0.346 175.645 176.094 -0.172 0.000 1.021 218 V CA -0.753 61.342 62.300 -0.342 0.000 0.848 218 V CB 1.651 33.130 31.823 -0.572 0.000 0.998 218 V HN 0.903 nan 8.190 nan 0.000 0.424 219 M N 6.266 125.812 119.600 -0.089 0.000 2.108 219 M HA 0.586 5.087 4.480 0.036 0.000 0.354 219 M C -1.223 175.115 176.300 0.063 0.000 1.229 219 M CA -0.165 55.138 55.300 0.004 0.000 1.081 219 M CB 0.987 33.582 32.600 -0.009 0.000 1.606 219 M HN 0.472 nan 8.290 nan 0.000 0.467 220 V N 6.102 126.094 119.914 0.131 0.000 2.581 220 V HA 0.414 4.555 4.120 0.036 0.000 0.303 220 V C 0.716 176.893 176.094 0.137 0.000 1.041 220 V CA -0.705 61.679 62.300 0.141 0.000 0.907 220 V CB 1.547 33.482 31.823 0.187 0.000 0.994 220 V HN 0.997 nan 8.190 nan 0.000 0.442 221 R N 2.853 123.418 120.500 0.108 0.000 2.052 221 R HA -0.003 4.359 4.340 0.036 0.000 0.226 221 R C 1.546 177.899 176.300 0.087 0.000 1.145 221 R CA 1.618 57.775 56.100 0.095 0.000 0.952 221 R CB -0.199 30.142 30.300 0.069 0.000 0.847 221 R HN 0.761 nan 8.270 nan 0.000 0.431 222 S N 0.983 116.730 115.700 0.079 0.000 3.375 222 S HA 0.289 4.780 4.470 0.036 0.000 0.178 222 S C 1.007 175.647 174.600 0.068 0.000 0.868 222 S CA -0.306 57.934 58.200 0.066 0.000 1.129 222 S CB -0.580 62.651 63.200 0.051 0.000 1.035 222 S HN 0.395 nan 8.310 nan 0.000 0.840 223 I N 0.439 121.047 120.570 0.064 0.000 2.934 223 I HA 0.585 4.777 4.170 0.036 0.000 0.315 223 I C -0.825 175.344 176.117 0.087 0.000 0.997 223 I CA -1.215 60.121 61.300 0.061 0.000 1.184 223 I CB 0.635 38.668 38.000 0.056 0.000 1.400 223 I HN 0.386 nan 8.210 nan 0.000 0.549 224 L N 2.916 124.189 121.223 0.082 0.000 2.379 224 L HA 0.361 4.723 4.340 0.036 0.000 0.269 224 L C 0.130 177.087 176.870 0.145 0.000 1.084 224 L CA -0.972 53.935 54.840 0.112 0.000 0.802 224 L CB 1.135 43.244 42.059 0.082 0.000 1.175 224 L HN 0.639 nan 8.230 nan 0.000 0.448 225 L N 1.692 123.034 121.223 0.198 0.000 3.965 225 L HA -0.247 4.115 4.340 0.036 0.000 0.476 225 L C 0.775 177.867 176.870 0.370 0.000 1.201 225 L CA 0.235 55.285 54.840 0.350 0.000 0.710 225 L CB -1.386 40.843 42.059 0.283 0.000 1.509 225 L HN 0.655 nan 8.230 nan 0.000 0.815 226 R N 0.823 121.458 120.500 0.225 0.000 2.585 226 R HA 0.256 4.617 4.340 0.036 0.000 0.275 226 R C 1.475 177.836 176.300 0.102 0.000 1.018 226 R CA 1.286 57.470 56.100 0.140 0.000 1.072 226 R CB 0.375 30.730 30.300 0.091 0.000 0.953 226 R HN 0.520 nan 8.270 nan 0.000 0.419 227 G N 3.194 112.020 108.800 0.044 0.000 2.399 227 G HA2 -0.292 3.690 3.960 0.036 0.000 0.216 227 G HA3 -0.292 3.690 3.960 0.036 0.000 0.216 227 G C -0.063 174.783 174.900 -0.090 0.000 1.096 227 G CA -0.024 45.027 45.100 -0.082 0.000 0.650 227 G HN 0.510 nan 8.290 nan 0.000 0.512 228 F N 2.315 122.323 119.950 0.097 0.000 2.375 228 F HA 0.476 5.024 4.527 0.035 0.000 0.313 228 F C 1.000 176.874 175.800 0.122 0.000 1.176 228 F CA -0.172 57.922 58.000 0.158 0.000 1.142 228 F CB 0.401 39.543 39.000 0.238 0.000 1.275 228 F HN 0.061 nan 8.300 nan 0.000 0.544 229 D N 1.471 122.099 120.400 0.380 0.000 2.487 229 D HA -0.091 4.570 4.640 0.036 0.000 0.243 229 D C 0.726 177.062 176.300 0.061 0.000 1.154 229 D CA 0.047 54.124 54.000 0.129 0.000 0.876 229 D CB 1.002 41.782 40.800 -0.033 0.000 1.161 229 D HN 0.433 nan 8.370 nan 0.000 0.478 230 Q N 2.934 122.744 119.800 0.017 0.000 2.167 230 Q HA -0.132 4.230 4.340 0.036 0.000 0.202 230 Q C 1.281 177.237 176.000 -0.074 0.000 0.970 230 Q CA 0.966 56.763 55.803 -0.010 0.000 0.855 230 Q CB -0.185 28.550 28.738 -0.005 0.000 0.911 230 Q HN 0.661 nan 8.270 nan 0.000 0.438 231 D N -0.300 120.033 120.400 -0.112 0.000 2.084 231 D HA -0.143 4.518 4.640 0.036 0.000 0.194 231 D C 1.727 177.890 176.300 -0.228 0.000 0.990 231 D CA 1.152 55.051 54.000 -0.167 0.000 0.826 231 D CB 0.137 40.826 40.800 -0.185 0.000 0.971 231 D HN 0.003 nan 8.370 nan 0.000 0.453 232 M N 0.738 120.182 119.600 -0.260 0.000 2.065 232 M HA -0.088 4.413 4.480 0.036 0.000 0.259 232 M C 2.487 178.563 176.300 -0.373 0.000 1.069 232 M CA 1.584 56.645 55.300 -0.398 0.000 1.110 232 M CB -1.611 30.624 32.600 -0.609 0.000 1.328 232 M HN 0.172 nan 8.290 nan 0.000 0.405 233 A N 0.649 123.314 122.820 -0.258 0.000 1.884 233 A HA -0.254 4.087 4.320 0.036 0.000 0.219 233 A C 2.142 179.650 177.584 -0.127 0.000 1.197 233 A CA 2.332 54.275 52.037 -0.157 0.000 0.637 233 A CB -1.354 17.628 19.000 -0.029 0.000 0.827 233 A HN 0.675 nan 8.150 nan 0.000 0.450 234 N N -0.580 118.048 118.700 -0.120 0.000 2.149 234 N HA -0.173 4.588 4.740 0.036 0.000 0.188 234 N C 1.728 177.168 175.510 -0.117 0.000 1.019 234 N CA 1.456 54.438 53.050 -0.114 0.000 0.857 234 N CB -0.139 38.284 38.487 -0.106 0.000 0.997 234 N HN 0.524 nan 8.380 nan 0.000 0.426 235 K N 0.562 120.876 120.400 -0.144 0.000 2.097 235 K HA -0.043 4.298 4.320 0.036 0.000 0.205 235 K C 2.146 178.729 176.600 -0.030 0.000 1.050 235 K CA 0.700 56.927 56.287 -0.100 0.000 0.938 235 K CB -0.001 32.404 32.500 -0.158 0.000 0.718 235 K HN 0.270 nan 8.250 nan 0.000 0.442 236 I N 0.619 121.145 120.570 -0.073 0.000 2.179 236 I HA -0.218 3.974 4.170 0.036 0.000 0.242 236 I C 2.508 178.663 176.117 0.064 0.000 1.088 236 I CA 1.384 62.679 61.300 -0.009 0.000 1.357 236 I CB -0.858 37.105 38.000 -0.062 0.000 1.051 236 I HN 0.267 nan 8.210 nan 0.000 0.409 237 G N 0.681 109.473 108.800 -0.013 0.000 2.514 237 G HA2 -0.267 3.715 3.960 0.036 0.000 0.217 237 G HA3 -0.267 3.715 3.960 0.036 0.000 0.217 237 G C 1.469 176.312 174.900 -0.095 0.000 1.198 237 G CA 0.819 45.862 45.100 -0.096 0.000 0.780 237 G HN 0.419 nan 8.290 nan 0.000 0.565 238 E N -0.525 119.626 120.200 -0.081 0.000 2.114 238 E HA -0.241 4.131 4.350 0.036 0.000 0.199 238 E C 2.226 178.875 176.600 0.082 0.000 1.008 238 E CA 1.104 57.481 56.400 -0.038 0.000 0.810 238 E CB -0.300 29.381 29.700 -0.032 0.000 0.739 238 E HN 0.566 nan 8.360 nan 0.000 0.456 239 H N 0.372 119.493 119.070 0.084 0.000 2.357 239 H HA -0.043 4.534 4.556 0.036 0.000 0.301 239 H C 2.087 177.613 175.328 0.331 0.000 1.082 239 H CA 1.389 57.563 56.048 0.210 0.000 1.342 239 H CB 0.003 29.838 29.762 0.122 0.000 1.389 239 H HN 0.151 nan 8.280 nan 0.000 0.511 240 M N 0.387 120.221 119.600 0.391 0.000 2.117 240 M HA -0.149 4.353 4.480 0.036 0.000 0.262 240 M C 2.457 178.965 176.300 0.347 0.000 1.065 240 M CA 1.876 57.408 55.300 0.388 0.000 1.114 240 M CB -0.044 32.819 32.600 0.439 0.000 1.361 240 M HN 0.281 nan 8.290 nan 0.000 0.408 241 E N 0.171 120.556 120.200 0.310 0.000 2.110 241 E HA -0.210 4.161 4.350 0.036 0.000 0.193 241 E C 1.555 178.197 176.600 0.069 0.000 0.988 241 E CA 1.254 57.790 56.400 0.227 0.000 0.804 241 E CB 0.096 29.822 29.700 0.043 0.000 0.745 241 E HN 0.527 nan 8.360 nan 0.000 0.458 242 E N -0.826 119.366 120.200 -0.014 0.000 2.347 242 E HA -0.109 4.262 4.350 0.036 0.000 0.196 242 E C 0.128 176.482 176.600 -0.411 0.000 1.008 242 E CA 0.551 56.812 56.400 -0.230 0.000 0.852 242 E CB 0.083 29.578 29.700 -0.341 0.000 0.783 242 E HN 0.430 nan 8.360 nan 0.000 0.505 243 H N -0.896 118.112 119.070 -0.103 0.000 2.474 243 H HA 0.328 4.906 4.556 0.036 0.000 0.250 243 H C 0.702 176.026 175.328 -0.006 0.000 1.307 243 H CA 0.165 56.165 56.048 -0.081 0.000 1.058 243 H CB 0.725 30.413 29.762 -0.123 0.000 1.693 243 H HN 0.247 nan 8.280 nan 0.000 0.552 244 G N 0.587 109.424 108.800 0.062 0.000 5.005 244 G HA2 -0.304 3.677 3.960 0.036 0.000 0.251 244 G HA3 -0.304 3.677 3.960 0.036 0.000 0.251 244 G C 0.324 175.255 174.900 0.052 0.000 1.536 244 G CA -0.299 44.831 45.100 0.051 0.000 1.060 244 G HN 0.389 nan 8.290 nan 0.000 0.683 245 I N 2.731 123.335 120.570 0.057 0.000 3.214 245 I HA 0.013 4.204 4.170 0.036 0.000 0.332 245 I C 0.693 176.824 176.117 0.023 0.000 1.225 245 I CA 0.839 62.131 61.300 -0.013 0.000 1.453 245 I CB 0.126 38.105 38.000 -0.036 0.000 1.321 245 I HN 0.282 nan 8.210 nan 0.000 0.518 246 K N 6.578 126.945 120.400 -0.055 0.000 2.098 246 K HA 0.667 5.009 4.320 0.036 0.000 0.258 246 K C -0.860 175.699 176.600 -0.069 0.000 0.973 246 K CA -0.295 56.014 56.287 0.038 0.000 0.898 246 K CB 1.165 33.676 32.500 0.017 0.000 1.057 246 K HN 0.241 nan 8.250 nan 0.000 0.447 247 F N 1.271 121.214 119.950 -0.010 0.000 2.561 247 F HA 0.500 5.049 4.527 0.037 0.000 0.321 247 F C -0.259 175.521 175.800 -0.033 0.000 1.065 247 F CA -1.154 56.838 58.000 -0.013 0.000 0.934 247 F CB 1.384 40.381 39.000 -0.005 0.000 1.215 247 F HN 0.068 nan 8.300 nan 0.000 0.471 248 I N 3.418 124.072 120.570 0.141 0.000 2.439 248 I HA 0.356 4.547 4.170 0.036 0.000 0.283 248 I C -0.584 175.586 176.117 0.088 0.000 1.023 248 I CA -0.678 60.624 61.300 0.003 0.000 1.100 248 I CB 1.492 39.433 38.000 -0.097 0.000 1.238 248 I HN 0.559 nan 8.210 nan 0.000 0.445 249 R N 5.688 126.245 120.500 0.095 0.000 2.474 249 R HA 0.460 4.821 4.340 0.036 0.000 0.295 249 R C -0.322 176.125 176.300 0.244 0.000 0.980 249 R CA -0.652 55.540 56.100 0.153 0.000 0.934 249 R CB 1.105 31.466 30.300 0.102 0.000 1.101 249 R HN 0.515 nan 8.270 nan 0.000 0.469 250 Q N 0.772 120.715 119.800 0.238 0.000 2.459 250 Q HA -0.209 4.153 4.340 0.036 0.000 0.322 250 Q C -1.386 174.845 176.000 0.385 0.000 1.427 250 Q CA 0.749 56.698 55.803 0.243 0.000 0.861 250 Q CB -1.333 27.509 28.738 0.173 0.000 1.137 250 Q HN 0.420 nan 8.270 nan 0.000 0.394 251 F N -0.807 119.166 119.950 0.039 0.000 2.615 251 F HA 0.540 5.088 4.527 0.035 0.000 0.312 251 F C -0.287 175.529 175.800 0.027 0.000 1.119 251 F CA -0.868 57.152 58.000 0.033 0.000 0.979 251 F CB 1.823 40.844 39.000 0.035 0.000 1.266 251 F HN -0.100 nan 8.300 nan 0.000 0.444 252 V N 4.819 124.818 119.914 0.141 0.000 2.680 252 V HA 0.582 4.723 4.120 0.036 0.000 0.309 252 V C -2.246 173.911 176.094 0.106 0.000 1.052 252 V CA -1.985 60.374 62.300 0.098 0.000 0.908 252 V CB 2.323 34.172 31.823 0.043 0.000 1.001 252 V HN 0.483 nan 8.190 nan 0.000 0.431 253 P HA 0.355 nan 4.420 nan 0.000 0.277 253 P C 0.360 177.701 177.300 0.068 0.000 1.240 253 P CA -0.129 63.023 63.100 0.086 0.000 0.798 253 P CB 1.439 33.173 31.700 0.057 0.000 0.979 254 I N -0.817 119.795 120.570 0.069 0.000 4.323 254 I HA 0.328 4.519 4.170 0.036 0.000 0.328 254 I C 0.326 176.480 176.117 0.062 0.000 1.310 254 I CA -0.067 61.267 61.300 0.056 0.000 1.186 254 I CB 0.046 38.072 38.000 0.044 0.000 1.130 254 I HN 0.295 nan 8.210 nan 0.000 0.411 255 K N 1.083 121.525 120.400 0.071 0.000 2.589 255 K HA 0.626 4.968 4.320 0.036 0.000 0.265 255 K C -1.867 174.783 176.600 0.084 0.000 0.935 255 K CA -0.741 55.593 56.287 0.079 0.000 0.850 255 K CB 2.513 35.053 32.500 0.068 0.000 1.372 255 K HN -0.121 nan 8.250 nan 0.000 0.420 256 V N 2.089 122.070 119.914 0.111 0.000 2.540 256 V HA 0.460 4.601 4.120 0.036 0.000 0.302 256 V C -0.851 175.299 176.094 0.093 0.000 1.035 256 V CA -0.488 61.875 62.300 0.104 0.000 0.873 256 V CB 1.518 33.434 31.823 0.155 0.000 0.992 256 V HN 0.924 nan 8.190 nan 0.000 0.428 257 E N 3.473 123.647 120.200 -0.043 0.000 2.293 257 E HA 0.433 4.805 4.350 0.036 0.000 0.270 257 E C -0.999 175.374 176.600 -0.379 0.000 0.879 257 E CA -0.952 55.344 56.400 -0.173 0.000 0.756 257 E CB 2.539 32.206 29.700 -0.054 0.000 1.208 257 E HN 0.601 nan 8.360 nan 0.000 0.428 258 Q N 3.703 123.089 119.800 -0.690 0.000 2.402 258 Q HA 0.149 4.511 4.340 0.036 0.000 0.238 258 Q C 0.363 176.209 176.000 -0.257 0.000 1.126 258 Q CA -0.116 55.334 55.803 -0.588 0.000 0.904 258 Q CB 0.328 28.580 28.738 -0.811 0.000 1.357 258 Q HN 0.755 nan 8.270 nan 0.000 0.491 259 I N 2.582 123.048 120.570 -0.174 0.000 2.567 259 I HA -0.123 4.068 4.170 0.036 0.000 0.257 259 I C 0.612 176.677 176.117 -0.087 0.000 1.184 259 I CA 1.036 62.274 61.300 -0.103 0.000 1.451 259 I CB 0.064 38.017 38.000 -0.078 0.000 1.089 259 I HN 0.665 nan 8.210 nan 0.000 0.441 260 E N 0.436 120.575 120.200 -0.100 0.000 2.879 260 E HA 0.379 4.750 4.350 0.036 0.000 0.345 260 E C -1.048 175.510 176.600 -0.069 0.000 0.955 260 E CA -0.420 55.938 56.400 -0.070 0.000 0.801 260 E CB 0.830 30.496 29.700 -0.057 0.000 1.324 260 E HN 0.090 nan 8.360 nan 0.000 0.417 261 A N 2.554 125.348 122.820 -0.043 0.000 2.448 261 A HA 0.782 5.123 4.320 0.036 0.000 0.239 261 A C 0.686 178.236 177.584 -0.056 0.000 1.080 261 A CA 0.919 52.939 52.037 -0.027 0.000 0.779 261 A CB 0.582 19.589 19.000 0.012 0.000 1.026 261 A HN 0.898 nan 8.150 nan 0.000 0.499 262 G N -1.283 107.464 108.800 -0.089 0.000 2.321 262 G HA2 0.517 4.498 3.960 0.036 0.000 0.296 262 G HA3 0.517 4.498 3.960 0.036 0.000 0.296 262 G C -0.589 174.143 174.900 -0.280 0.000 1.287 262 G CA 0.215 45.233 45.100 -0.136 0.000 0.846 262 G HN 1.567 nan 8.290 nan 0.000 0.508 263 T N -0.004 114.350 114.554 -0.334 0.000 3.401 263 T HA 0.664 5.035 4.350 0.036 0.000 0.341 263 T C -2.442 171.942 174.700 -0.526 0.000 1.674 263 T CA -1.088 60.608 62.100 -0.673 0.000 1.600 263 T CB 1.430 70.145 68.868 -0.254 0.000 0.974 263 T HN 0.543 nan 8.240 nan 0.000 0.672 264 P HA 0.555 nan 4.420 nan 0.000 0.283 264 P C 0.599 177.741 177.300 -0.265 0.000 1.278 264 P CA -0.274 62.493 63.100 -0.555 0.000 0.834 264 P CB 1.504 33.047 31.700 -0.261 0.000 1.150 265 G N 0.880 109.561 108.800 -0.198 0.000 3.086 265 G HA2 0.413 4.395 3.960 0.036 0.000 0.159 265 G HA3 0.413 4.395 3.960 0.036 0.000 0.159 265 G C -0.569 174.281 174.900 -0.084 0.000 1.654 265 G CA -0.527 44.502 45.100 -0.119 0.000 1.078 265 G HN 0.500 nan 8.290 nan 0.000 0.558 266 R N -0.983 119.471 120.500 -0.076 0.000 2.508 266 R HA 0.452 4.813 4.340 0.036 0.000 0.283 266 R C -1.242 175.013 176.300 -0.075 0.000 1.120 266 R CA -0.392 55.672 56.100 -0.060 0.000 0.958 266 R CB 1.765 32.027 30.300 -0.062 0.000 1.215 266 R HN 0.292 nan 8.270 nan 0.000 0.427 267 L N 1.931 123.132 121.223 -0.036 0.000 2.301 267 L HA 0.679 5.040 4.340 0.036 0.000 0.264 267 L C -0.262 176.615 176.870 0.012 0.000 1.016 267 L CA -1.152 53.652 54.840 -0.060 0.000 0.821 267 L CB 2.126 44.164 42.059 -0.035 0.000 1.346 267 L HN 0.456 nan 8.230 nan 0.000 0.429 268 R N 0.972 121.470 120.500 -0.004 0.000 2.480 268 R HA 0.688 5.049 4.340 0.036 0.000 0.306 268 R C -1.962 174.382 176.300 0.073 0.000 0.958 268 R CA -0.463 55.664 56.100 0.045 0.000 0.861 268 R CB 1.960 32.261 30.300 0.002 0.000 1.171 268 R HN 0.445 nan 8.270 nan 0.000 0.445 269 V N 4.688 124.687 119.914 0.141 0.000 2.435 269 V HA 0.383 4.524 4.120 0.036 0.000 0.290 269 V C -0.311 175.851 176.094 0.114 0.000 1.030 269 V CA -0.826 61.539 62.300 0.108 0.000 0.881 269 V CB 1.706 33.571 31.823 0.071 0.000 0.983 269 V HN 0.538 nan 8.190 nan 0.000 0.445 270 V N 4.376 124.346 119.914 0.093 0.000 2.384 270 V HA 0.832 4.973 4.120 0.036 0.000 0.287 270 V C 0.311 176.478 176.094 0.121 0.000 1.020 270 V CA -0.123 62.237 62.300 0.100 0.000 0.850 270 V CB 1.524 33.392 31.823 0.076 0.000 0.987 270 V HN 1.057 nan 8.190 nan 0.000 0.436 271 A N 4.984 127.912 122.820 0.180 0.000 2.413 271 A HA 0.846 5.187 4.320 0.036 0.000 0.307 271 A C -0.833 176.903 177.584 0.253 0.000 1.087 271 A CA -0.659 51.526 52.037 0.246 0.000 0.750 271 A CB 1.913 21.136 19.000 0.371 0.000 1.296 271 A HN 0.694 nan 8.150 nan 0.000 0.423 272 Q N 0.644 120.477 119.800 0.056 0.000 2.365 272 Q HA 0.526 4.887 4.340 0.036 0.000 0.269 272 Q C -0.148 175.421 176.000 -0.718 0.000 1.061 272 Q CA -0.494 55.183 55.803 -0.210 0.000 0.816 272 Q CB 1.847 30.515 28.738 -0.117 0.000 1.325 272 Q HN 0.905 nan 8.270 nan 0.000 0.446 273 S N 0.639 115.651 115.700 -1.145 0.000 2.566 273 S HA -0.033 4.458 4.470 0.036 0.000 0.280 273 S C 1.024 175.318 174.600 -0.510 0.000 1.343 273 S CA 0.748 58.201 58.200 -1.244 0.000 1.036 273 S CB 0.674 63.440 63.200 -0.723 0.000 0.866 273 S HN 0.783 nan 8.310 nan 0.000 0.526 274 T N 0.345 114.706 114.554 -0.322 0.000 3.086 274 T HA 0.185 4.556 4.350 0.036 0.000 0.250 274 T C 0.501 175.145 174.700 -0.093 0.000 1.074 274 T CA 0.615 62.627 62.100 -0.146 0.000 0.988 274 T CB -0.559 68.271 68.868 -0.064 0.000 0.988 274 T HN 0.800 nan 8.240 nan 0.000 0.530 275 N N -0.984 117.653 118.700 -0.105 0.000 1.938 275 N HA 0.185 4.947 4.740 0.036 0.000 0.225 275 N C -0.548 174.929 175.510 -0.055 0.000 1.400 275 N CA -0.481 52.535 53.050 -0.057 0.000 0.772 275 N CB 0.577 39.049 38.487 -0.026 0.000 1.124 275 N HN 0.190 nan 8.380 nan 0.000 0.513 276 S N -0.449 115.199 115.700 -0.087 0.000 2.671 276 S HA 0.426 4.917 4.470 0.036 0.000 0.299 276 S C 0.018 174.567 174.600 -0.086 0.000 1.116 276 S CA -0.630 57.533 58.200 -0.061 0.000 0.912 276 S CB 2.196 65.374 63.200 -0.036 0.000 1.130 276 S HN 0.007 nan 8.310 nan 0.000 0.501 277 E N 0.880 121.048 120.200 -0.052 0.000 2.463 277 E HA 0.100 4.472 4.350 0.036 0.000 0.193 277 E C 0.179 176.752 176.600 -0.045 0.000 1.041 277 E CA -0.018 56.352 56.400 -0.050 0.000 0.879 277 E CB 0.091 29.776 29.700 -0.024 0.000 0.997 277 E HN 0.623 nan 8.360 nan 0.000 0.478 278 E N 0.806 120.980 120.200 -0.044 0.000 2.442 278 E HA 0.090 4.462 4.350 0.036 0.000 0.262 278 E C -0.505 176.099 176.600 0.005 0.000 1.004 278 E CA 0.313 56.723 56.400 0.016 0.000 0.928 278 E CB 0.493 30.247 29.700 0.089 0.000 0.937 278 E HN 0.003 nan 8.360 nan 0.000 0.446 279 I N 5.466 126.100 120.570 0.106 0.000 2.619 279 I HA 0.351 4.543 4.170 0.036 0.000 0.292 279 I C -0.316 175.934 176.117 0.221 0.000 1.100 279 I CA -0.713 60.676 61.300 0.147 0.000 1.043 279 I CB 1.566 39.611 38.000 0.074 0.000 1.239 279 I HN 0.488 nan 8.210 nan 0.000 0.420 280 I N 2.686 123.440 120.570 0.306 0.000 3.206 280 I HA 0.836 5.028 4.170 0.036 0.000 0.313 280 I C -1.160 175.037 176.117 0.134 0.000 1.103 280 I CA -0.592 60.819 61.300 0.185 0.000 0.985 280 I CB 2.368 40.433 38.000 0.108 0.000 1.240 280 I HN 0.678 nan 8.210 nan 0.000 0.464 281 E N 0.983 121.231 120.200 0.080 0.000 2.354 281 E HA 0.742 5.113 4.350 0.036 0.000 0.283 281 E C -1.376 175.254 176.600 0.051 0.000 0.938 281 E CA -1.048 55.399 56.400 0.078 0.000 0.777 281 E CB 1.908 31.643 29.700 0.059 0.000 1.222 281 E HN 1.052 nan 8.360 nan 0.000 0.423 282 G N 1.505 110.362 108.800 0.095 0.000 2.694 282 G HA2 0.512 4.494 3.960 0.036 0.000 0.290 282 G HA3 0.512 4.494 3.960 0.036 0.000 0.290 282 G C -1.330 173.545 174.900 -0.042 0.000 1.386 282 G CA -0.791 44.300 45.100 -0.015 0.000 0.872 282 G HN 0.491 nan 8.290 nan 0.000 0.475 283 E N -0.459 119.562 120.200 -0.298 0.000 2.179 283 E HA 0.574 4.946 4.350 0.036 0.000 0.275 283 E C -1.510 174.793 176.600 -0.496 0.000 0.945 283 E CA -0.420 55.851 56.400 -0.215 0.000 0.792 283 E CB 2.101 31.710 29.700 -0.153 0.000 1.125 283 E HN 0.444 nan 8.360 nan 0.000 0.397 284 Y N 0.601 120.871 120.300 -0.050 0.000 2.562 284 Y HA 0.227 4.798 4.550 0.035 0.000 0.345 284 Y C 0.832 176.700 175.900 -0.054 0.000 1.045 284 Y CA -1.034 57.035 58.100 -0.052 0.000 1.028 284 Y CB 1.090 39.521 38.460 -0.049 0.000 1.297 284 Y HN 0.397 nan 8.280 nan 0.000 0.463 285 N N -0.030 118.732 118.700 0.103 0.000 2.216 285 N HA 0.011 4.772 4.740 0.036 0.000 0.183 285 N C -0.138 175.399 175.510 0.044 0.000 1.017 285 N CA 1.147 54.216 53.050 0.033 0.000 0.861 285 N CB 0.249 38.736 38.487 -0.000 0.000 0.986 285 N HN 0.633 nan 8.380 nan 0.000 0.428 286 T N -0.323 114.267 114.554 0.059 0.000 2.906 286 T HA 0.558 4.929 4.350 0.036 0.000 0.295 286 T C -0.766 173.927 174.700 -0.013 0.000 1.075 286 T CA -0.558 61.563 62.100 0.036 0.000 1.005 286 T CB 3.041 71.918 68.868 0.015 0.000 1.136 286 T HN -0.339 nan 8.240 nan 0.000 0.498 287 V N 2.442 122.340 119.914 -0.027 0.000 2.445 287 V HA 0.399 4.540 4.120 0.036 0.000 0.283 287 V C -0.469 175.576 176.094 -0.081 0.000 1.014 287 V CA -0.637 61.603 62.300 -0.099 0.000 0.852 287 V CB 1.437 33.215 31.823 -0.076 0.000 1.021 287 V HN 0.877 nan 8.190 nan 0.000 0.435 288 M N 5.657 125.186 119.600 -0.119 0.000 2.146 288 M HA 0.534 5.036 4.480 0.036 0.000 0.357 288 M C -1.176 175.045 176.300 -0.131 0.000 1.261 288 M CA -0.383 54.846 55.300 -0.118 0.000 1.106 288 M CB 0.871 33.389 32.600 -0.137 0.000 1.612 288 M HN 0.499 nan 8.290 nan 0.000 0.470 289 L N 5.315 126.446 121.223 -0.153 0.000 2.262 289 L HA 0.526 4.888 4.340 0.036 0.000 0.288 289 L C -0.047 176.730 176.870 -0.155 0.000 1.035 289 L CA -0.537 54.200 54.840 -0.172 0.000 0.820 289 L CB 1.193 43.086 42.059 -0.277 0.000 1.204 289 L HN 0.859 nan 8.230 nan 0.000 0.424 290 A N 5.072 127.835 122.820 -0.095 0.000 3.297 290 A HA 0.365 4.707 4.320 0.036 0.000 0.304 290 A C 0.720 178.301 177.584 -0.006 0.000 0.963 290 A CA -0.418 51.590 52.037 -0.048 0.000 0.935 290 A CB 0.001 18.979 19.000 -0.038 0.000 1.093 290 A HN 0.844 nan 8.150 nan 0.000 0.480 291 I N -3.168 117.395 120.570 -0.011 0.000 3.941 291 I HA 0.593 4.784 4.170 0.036 0.000 0.321 291 I C 0.587 176.733 176.117 0.048 0.000 1.284 291 I CA 0.379 61.693 61.300 0.023 0.000 1.226 291 I CB 0.635 38.643 38.000 0.013 0.000 1.045 291 I HN 0.431 nan 8.210 nan 0.000 0.420 292 G N 1.215 110.044 108.800 0.050 0.000 2.320 292 G HA2 0.403 4.384 3.960 0.036 0.000 0.297 292 G HA3 0.403 4.384 3.960 0.036 0.000 0.297 292 G C -1.631 173.313 174.900 0.073 0.000 1.344 292 G CA -1.054 44.089 45.100 0.071 0.000 0.851 292 G HN 0.185 nan 8.290 nan 0.000 0.567 293 R N -0.308 120.244 120.500 0.086 0.000 2.795 293 R HA 0.569 4.930 4.340 0.036 0.000 0.275 293 R C -1.645 174.711 176.300 0.093 0.000 0.981 293 R CA -0.980 55.178 56.100 0.096 0.000 0.917 293 R CB 2.249 32.614 30.300 0.109 0.000 1.202 293 R HN 0.474 nan 8.270 nan 0.000 0.469 294 D N 1.234 121.696 120.400 0.104 0.000 2.308 294 D HA 0.258 4.920 4.640 0.036 0.000 0.242 294 D C -0.443 175.914 176.300 0.096 0.000 1.059 294 D CA -0.403 53.654 54.000 0.095 0.000 0.830 294 D CB 1.977 42.838 40.800 0.101 0.000 1.161 294 D HN 0.590 nan 8.370 nan 0.000 0.494 295 A N 1.573 124.441 122.820 0.081 0.000 2.546 295 A HA 0.072 4.413 4.320 0.036 0.000 0.243 295 A C 0.470 178.107 177.584 0.088 0.000 1.063 295 A CA -0.143 51.941 52.037 0.079 0.000 0.757 295 A CB -0.016 19.022 19.000 0.064 0.000 0.991 295 A HN 0.729 nan 8.150 nan 0.000 0.503 296 C N 3.462 122.819 119.300 0.095 0.000 2.400 296 C HA 0.382 4.864 4.460 0.036 0.000 0.457 296 C C 1.630 176.677 174.990 0.094 0.000 1.020 296 C CA 0.323 59.405 59.018 0.107 0.000 1.258 296 C CB -2.079 25.729 27.740 0.115 0.000 1.532 296 C HN 0.920 nan 8.230 nan 0.000 0.537 297 T N -2.380 112.227 114.554 0.089 0.000 3.016 297 T HA 0.089 4.460 4.350 0.036 0.000 0.271 297 T C 1.731 176.482 174.700 0.084 0.000 0.968 297 T CA -0.247 61.903 62.100 0.082 0.000 0.891 297 T CB 0.140 69.045 68.868 0.062 0.000 1.149 297 T HN 0.431 nan 8.240 nan 0.000 0.524 298 R N 2.998 123.550 120.500 0.086 0.000 2.052 298 R HA 0.118 4.479 4.340 0.036 0.000 0.226 298 R C 1.188 177.542 176.300 0.090 0.000 1.145 298 R CA 0.927 57.073 56.100 0.076 0.000 0.952 298 R CB -0.450 29.890 30.300 0.066 0.000 0.847 298 R HN 0.506 nan 8.270 nan 0.000 0.431 299 K N 2.313 122.782 120.400 0.115 0.000 3.192 299 K HA 0.221 4.562 4.320 0.036 0.000 0.269 299 K C 0.977 177.700 176.600 0.205 0.000 1.270 299 K CA 0.143 56.507 56.287 0.128 0.000 1.249 299 K CB -0.339 32.218 32.500 0.095 0.000 1.528 299 K HN 0.344 nan 8.250 nan 0.000 0.360 300 I N -3.647 117.032 120.570 0.183 0.000 3.813 300 I HA 0.349 4.540 4.170 0.036 0.000 0.323 300 I C 0.370 176.621 176.117 0.224 0.000 1.536 300 I CA -0.732 60.691 61.300 0.204 0.000 1.083 300 I CB 0.568 38.652 38.000 0.140 0.000 1.265 300 I HN 0.290 nan 8.210 nan 0.000 0.507 301 G N 2.519 111.421 108.800 0.170 0.000 2.356 301 G HA2 -0.256 3.725 3.960 0.036 0.000 0.296 301 G HA3 -0.256 3.725 3.960 0.036 0.000 0.296 301 G C 0.621 175.608 174.900 0.145 0.000 1.022 301 G CA 0.608 45.797 45.100 0.147 0.000 0.961 301 G HN 0.533 nan 8.290 nan 0.000 0.510 302 L N -0.765 120.520 121.223 0.104 0.000 2.265 302 L HA -0.092 4.270 4.340 0.036 0.000 0.215 302 L C 2.762 179.571 176.870 -0.101 0.000 1.117 302 L CA 2.085 56.912 54.840 -0.022 0.000 0.782 302 L CB -0.305 41.745 42.059 -0.015 0.000 0.914 302 L HN 0.630 nan 8.230 nan 0.000 0.441 303 E N -0.685 119.491 120.200 -0.040 0.000 2.106 303 E HA -0.200 4.172 4.350 0.036 0.000 0.192 303 E C 1.921 178.483 176.600 -0.063 0.000 0.984 303 E CA 1.562 57.932 56.400 -0.050 0.000 0.806 303 E CB -0.827 28.861 29.700 -0.020 0.000 0.750 303 E HN 0.420 nan 8.360 nan 0.000 0.458 304 T N -1.632 112.896 114.554 -0.043 0.000 3.025 304 T HA -0.036 4.335 4.350 0.036 0.000 0.270 304 T C 1.649 176.291 174.700 -0.096 0.000 1.126 304 T CA 0.897 62.975 62.100 -0.037 0.000 1.105 304 T CB -0.035 68.842 68.868 0.015 0.000 0.884 304 T HN 0.108 nan 8.240 nan 0.000 0.522 305 V N -0.437 119.353 119.914 -0.207 0.000 3.502 305 V HA 0.550 4.691 4.120 0.036 0.000 0.288 305 V C 1.636 177.560 176.094 -0.283 0.000 1.461 305 V CA 0.570 62.686 62.300 -0.307 0.000 1.029 305 V CB 0.281 31.691 31.823 -0.689 0.000 0.843 305 V HN 0.783 nan 8.190 nan 0.000 0.438 306 G N 0.396 109.059 108.800 -0.228 0.000 2.159 306 G HA2 -0.192 3.790 3.960 0.036 0.000 0.227 306 G HA3 -0.192 3.790 3.960 0.036 0.000 0.227 306 G C 0.158 174.936 174.900 -0.204 0.000 0.986 306 G CA 0.088 45.079 45.100 -0.182 0.000 0.651 306 G HN 0.476 nan 8.290 nan 0.000 0.523 307 V N 1.826 121.587 119.914 -0.254 0.000 2.446 307 V HA 0.224 4.366 4.120 0.036 0.000 0.276 307 V C 0.979 176.991 176.094 -0.135 0.000 1.030 307 V CA 0.164 62.330 62.300 -0.223 0.000 1.033 307 V CB 1.042 32.710 31.823 -0.259 0.000 0.993 307 V HN 0.295 nan 8.190 nan 0.000 0.477 308 K N 6.215 126.545 120.400 -0.117 0.000 2.316 308 K HA 0.477 4.818 4.320 0.036 0.000 0.289 308 K C -0.219 176.344 176.600 -0.062 0.000 1.070 308 K CA -0.083 56.156 56.287 -0.080 0.000 0.928 308 K CB 0.784 33.240 32.500 -0.074 0.000 1.039 308 K HN 0.751 nan 8.250 nan 0.000 0.480 309 I N -0.523 120.022 120.570 -0.042 0.000 2.846 309 I HA 0.338 4.529 4.170 0.036 0.000 0.307 309 I C -0.167 175.938 176.117 -0.019 0.000 1.053 309 I CA -1.048 60.236 61.300 -0.027 0.000 1.050 309 I CB 1.744 39.738 38.000 -0.010 0.000 1.239 309 I HN 0.347 nan 8.210 nan 0.000 0.439 310 N N 3.801 122.492 118.700 -0.014 0.000 2.400 310 N HA -0.010 4.751 4.740 0.036 0.000 0.267 310 N C 0.588 176.097 175.510 -0.003 0.000 1.208 310 N CA 0.229 53.272 53.050 -0.011 0.000 0.951 310 N CB 0.600 39.081 38.487 -0.010 0.000 1.227 310 N HN 0.651 nan 8.380 nan 0.000 0.488 311 E N 2.784 122.982 120.200 -0.004 0.000 2.409 311 E HA -0.159 4.212 4.350 0.036 0.000 0.198 311 E C 1.153 177.757 176.600 0.008 0.000 1.024 311 E CA 0.562 56.964 56.400 0.003 0.000 0.861 311 E CB 0.347 30.047 29.700 0.000 0.000 0.788 311 E HN 0.653 nan 8.360 nan 0.000 0.521 312 K N 0.474 120.877 120.400 0.005 0.000 1.980 312 K HA -0.094 4.247 4.320 0.036 0.000 0.208 312 K C 2.255 178.864 176.600 0.014 0.000 1.043 312 K CA 1.818 58.109 56.287 0.008 0.000 0.938 312 K CB 0.016 32.519 32.500 0.004 0.000 0.724 312 K HN 0.149 nan 8.250 nan 0.000 0.438 313 T N -3.605 110.957 114.554 0.013 0.000 2.978 313 T HA 0.163 4.535 4.350 0.036 0.000 0.262 313 T C 1.466 176.181 174.700 0.026 0.000 1.063 313 T CA 1.018 63.130 62.100 0.019 0.000 1.140 313 T CB 0.343 69.219 68.868 0.013 0.000 0.886 313 T HN 0.468 nan 8.240 nan 0.000 0.470 314 G N 1.244 110.057 108.800 0.023 0.000 2.218 314 G HA2 -0.163 3.819 3.960 0.036 0.000 0.216 314 G HA3 -0.163 3.819 3.960 0.036 0.000 0.216 314 G C 0.075 174.992 174.900 0.028 0.000 0.994 314 G CA -0.205 44.914 45.100 0.031 0.000 0.637 314 G HN 0.613 nan 8.290 nan 0.000 0.505 315 K N 0.632 121.044 120.400 0.020 0.000 2.237 315 K HA 0.491 4.833 4.320 0.036 0.000 0.270 315 K C 0.330 176.933 176.600 0.005 0.000 1.015 315 K CA -0.329 55.968 56.287 0.016 0.000 0.949 315 K CB 1.402 33.908 32.500 0.010 0.000 0.976 315 K HN 0.295 nan 8.250 nan 0.000 0.472 316 I N 4.740 125.314 120.570 0.006 0.000 2.291 316 I HA 0.115 4.306 4.170 0.036 0.000 0.292 316 I C -2.067 174.036 176.117 -0.023 0.000 1.064 316 I CA -2.226 59.070 61.300 -0.008 0.000 1.269 316 I CB 0.696 38.697 38.000 0.002 0.000 1.418 316 I HN 0.181 nan 8.210 nan 0.000 0.485 317 P HA 0.111 nan 4.420 nan 0.000 0.268 317 P C -0.576 176.693 177.300 -0.053 0.000 1.208 317 P CA -0.008 63.064 63.100 -0.047 0.000 0.777 317 P CB 1.111 32.781 31.700 -0.049 0.000 0.875 318 V N 0.551 120.429 119.914 -0.059 0.000 3.204 318 V HA 0.423 4.564 4.120 0.036 0.000 0.298 318 V C -0.221 175.840 176.094 -0.056 0.000 1.328 318 V CA -0.410 61.858 62.300 -0.053 0.000 1.035 318 V CB 2.267 34.076 31.823 -0.024 0.000 1.095 318 V HN 0.759 nan 8.190 nan 0.000 0.442 319 T N 0.159 114.690 114.554 -0.039 0.000 2.732 319 T HA 0.198 4.570 4.350 0.036 0.000 0.287 319 T C 0.831 175.519 174.700 -0.019 0.000 0.993 319 T CA 0.472 62.555 62.100 -0.028 0.000 0.966 319 T CB 0.435 69.297 68.868 -0.010 0.000 1.047 319 T HN 0.916 nan 8.240 nan 0.000 0.527 320 D N -0.999 119.392 120.400 -0.014 0.000 2.392 320 D HA -0.088 4.574 4.640 0.036 0.000 0.228 320 D C 0.961 177.296 176.300 0.060 0.000 1.003 320 D CA 0.636 54.634 54.000 -0.004 0.000 0.917 320 D CB -0.292 40.509 40.800 0.002 0.000 0.890 320 D HN 0.823 nan 8.370 nan 0.000 0.532 321 E N -0.061 120.185 120.200 0.077 0.000 2.558 321 E HA 0.097 4.468 4.350 0.036 0.000 0.205 321 E C -0.444 176.263 176.600 0.178 0.000 1.006 321 E CA -0.185 56.284 56.400 0.115 0.000 0.961 321 E CB 0.266 30.037 29.700 0.119 0.000 1.044 321 E HN 0.123 nan 8.360 nan 0.000 0.465 322 E N 0.671 120.966 120.200 0.157 0.000 2.868 322 E HA -0.238 4.134 4.350 0.036 0.000 0.278 322 E C -0.144 176.642 176.600 0.311 0.000 1.009 322 E CA 0.639 57.159 56.400 0.200 0.000 0.856 322 E CB -1.356 28.465 29.700 0.202 0.000 1.428 322 E HN 0.292 nan 8.360 nan 0.000 0.423 323 Q N 0.807 120.710 119.800 0.172 0.000 2.230 323 Q HA 0.467 4.828 4.340 0.036 0.000 0.253 323 Q C 0.526 176.414 176.000 -0.185 0.000 0.919 323 Q CA 0.102 55.806 55.803 -0.166 0.000 0.908 323 Q CB 1.022 29.629 28.738 -0.217 0.000 1.245 323 Q HN 0.263 nan 8.270 nan 0.000 0.437 324 T N 0.168 114.549 114.554 -0.288 0.000 2.891 324 T HA 0.144 4.516 4.350 0.036 0.000 0.294 324 T C 1.018 175.586 174.700 -0.219 0.000 1.065 324 T CA 0.194 62.169 62.100 -0.209 0.000 0.936 324 T CB 0.232 68.972 68.868 -0.214 0.000 1.415 324 T HN 0.807 nan 8.240 nan 0.000 0.572 325 N N -0.209 118.380 118.700 -0.184 0.000 2.188 325 N HA -0.055 4.707 4.740 0.036 0.000 0.184 325 N C 0.412 175.802 175.510 -0.199 0.000 1.018 325 N CA 0.685 53.639 53.050 -0.160 0.000 0.858 325 N CB -1.057 37.351 38.487 -0.131 0.000 0.989 325 N HN 0.407 nan 8.380 nan 0.000 0.426 326 V N 2.179 121.924 119.914 -0.282 0.000 2.372 326 V HA 0.151 4.292 4.120 0.036 0.000 0.261 326 V C -1.345 174.486 176.094 -0.439 0.000 1.055 326 V CA -1.276 60.809 62.300 -0.359 0.000 0.930 326 V CB 0.695 32.194 31.823 -0.540 0.000 1.031 326 V HN 0.047 nan 8.190 nan 0.000 0.479 327 P HA -0.239 nan 4.420 nan 0.000 0.220 327 P C 1.134 178.301 177.300 -0.221 0.000 1.155 327 P CA 1.937 64.913 63.100 -0.205 0.000 0.880 327 P CB -0.098 31.598 31.700 -0.008 0.000 0.790 328 Y N -2.895 117.315 120.300 -0.151 0.000 2.461 328 Y HA 0.423 4.994 4.550 0.035 0.000 0.277 328 Y C 0.523 176.419 175.900 -0.007 0.000 1.182 328 Y CA -0.800 57.287 58.100 -0.022 0.000 1.276 328 Y CB -0.714 37.749 38.460 0.006 0.000 1.087 328 Y HN -0.137 nan 8.280 nan 0.000 0.519 329 I N 1.373 121.579 120.570 -0.607 0.000 2.406 329 I HA 0.315 4.506 4.170 0.036 0.000 0.290 329 I C -1.259 174.657 176.117 -0.336 0.000 0.999 329 I CA -0.922 60.170 61.300 -0.347 0.000 1.124 329 I CB 1.312 38.987 38.000 -0.540 0.000 1.289 329 I HN -0.044 nan 8.210 nan 0.000 0.441 330 Y N 4.067 124.377 120.300 0.017 0.000 2.562 330 Y HA 0.797 5.368 4.550 0.035 0.000 0.343 330 Y C 0.137 176.067 175.900 0.051 0.000 1.025 330 Y CA -0.856 57.258 58.100 0.023 0.000 1.082 330 Y CB 2.125 40.609 38.460 0.040 0.000 1.264 330 Y HN 0.545 nan 8.280 nan 0.000 0.478 331 A N 2.925 125.872 122.820 0.211 0.000 2.486 331 A HA 0.878 5.219 4.320 0.036 0.000 0.300 331 A C -1.284 176.380 177.584 0.134 0.000 1.048 331 A CA -0.652 51.471 52.037 0.143 0.000 0.696 331 A CB 1.282 20.337 19.000 0.090 0.000 1.278 331 A HN 0.715 nan 8.150 nan 0.000 0.405 332 I N -1.242 119.396 120.570 0.114 0.000 3.174 332 I HA 0.951 5.143 4.170 0.036 0.000 0.313 332 I C 0.263 176.437 176.117 0.094 0.000 1.155 332 I CA -0.228 61.140 61.300 0.114 0.000 0.977 332 I CB 1.727 39.787 38.000 0.100 0.000 1.248 332 I HN 2.013 nan 8.210 nan 0.000 0.453 333 G N 2.710 111.573 108.800 0.104 0.000 2.582 333 G HA2 -0.191 3.791 3.960 0.036 0.000 0.222 333 G HA3 -0.191 3.791 3.960 0.036 0.000 0.222 333 G C -0.100 174.852 174.900 0.086 0.000 1.311 333 G CA 0.292 45.442 45.100 0.083 0.000 0.915 333 G HN 0.782 nan 8.290 nan 0.000 0.528 334 D N -0.002 120.442 120.400 0.074 0.000 2.172 334 D HA -0.165 4.497 4.640 0.036 0.000 0.196 334 D C 2.591 178.930 176.300 0.065 0.000 0.999 334 D CA 1.842 55.884 54.000 0.071 0.000 0.856 334 D CB -0.252 40.593 40.800 0.075 0.000 0.934 334 D HN 0.774 nan 8.370 nan 0.000 0.453 335 I N -1.609 119.000 120.570 0.065 0.000 2.700 335 I HA -0.114 4.077 4.170 0.036 0.000 0.261 335 I C 0.714 176.859 176.117 0.046 0.000 1.219 335 I CA 0.237 61.572 61.300 0.058 0.000 1.463 335 I CB -0.437 37.599 38.000 0.061 0.000 1.092 335 I HN -0.140 nan 8.210 nan 0.000 0.452 336 L N 1.930 123.184 121.223 0.051 0.000 2.482 336 L HA 0.071 4.432 4.340 0.036 0.000 0.273 336 L C 0.596 177.471 176.870 0.007 0.000 1.228 336 L CA 0.305 55.162 54.840 0.029 0.000 0.827 336 L CB 0.238 42.320 42.059 0.039 0.000 1.099 336 L HN 0.277 nan 8.230 nan 0.000 0.494 337 E N 1.694 121.882 120.200 -0.020 0.000 2.134 337 E HA 0.094 4.465 4.350 0.036 0.000 0.278 337 E C -1.080 175.486 176.600 -0.056 0.000 0.959 337 E CA -0.556 55.826 56.400 -0.029 0.000 0.783 337 E CB 0.634 30.316 29.700 -0.031 0.000 1.095 337 E HN 0.525 nan 8.360 nan 0.000 0.399 338 D N 3.263 123.636 120.400 -0.045 0.000 2.718 338 D HA -0.147 4.515 4.640 0.036 0.000 0.242 338 D C -0.414 175.833 176.300 -0.088 0.000 1.123 338 D CA 0.804 54.768 54.000 -0.060 0.000 0.690 338 D CB -0.456 40.303 40.800 -0.068 0.000 1.059 338 D HN 0.418 nan 8.370 nan 0.000 0.429 339 K N -1.053 119.319 120.400 -0.047 0.000 1.908 339 K HA 0.694 5.035 4.320 0.036 0.000 0.286 339 K C 0.014 176.674 176.600 0.099 0.000 0.951 339 K CA -0.423 55.859 56.287 -0.008 0.000 0.966 339 K CB 0.671 33.174 32.500 0.005 0.000 3.230 339 K HN -0.047 nan 8.250 nan 0.000 1.118 340 V N 2.142 122.173 119.914 0.196 0.000 2.525 340 V HA 0.269 4.410 4.120 0.036 0.000 0.299 340 V C -0.811 175.328 176.094 0.075 0.000 1.034 340 V CA -0.630 61.728 62.300 0.098 0.000 0.863 340 V CB 1.610 33.487 31.823 0.091 0.000 0.999 340 V HN 0.493 nan 8.190 nan 0.000 0.423 341 E N 5.523 125.740 120.200 0.028 0.000 2.110 341 E HA 0.437 4.808 4.350 0.036 0.000 0.300 341 E C -0.978 175.645 176.600 0.039 0.000 1.278 341 E CA 0.059 56.482 56.400 0.038 0.000 1.365 341 E CB 0.197 29.916 29.700 0.031 0.000 1.283 341 E HN 0.453 nan 8.360 nan 0.000 0.490 342 L N -0.087 121.161 121.223 0.043 0.000 2.422 342 L HA 0.245 4.607 4.340 0.036 0.000 0.264 342 L C 1.326 178.223 176.870 0.044 0.000 0.984 342 L CA -0.620 54.252 54.840 0.052 0.000 0.819 342 L CB 2.029 44.109 42.059 0.035 0.000 1.330 342 L HN 0.105 nan 8.230 nan 0.000 0.410 343 T N 1.135 115.723 114.554 0.057 0.000 2.597 343 T HA -0.143 4.228 4.350 0.036 0.000 0.267 343 T C -1.069 173.639 174.700 0.014 0.000 1.053 343 T CA 2.032 64.153 62.100 0.036 0.000 1.165 343 T CB -0.746 68.146 68.868 0.040 0.000 0.863 343 T HN 0.504 nan 8.240 nan 0.000 0.427 344 P HA -0.053 nan 4.420 nan 0.000 0.216 344 P C 1.610 178.883 177.300 -0.046 0.000 1.150 344 P CA 0.729 63.822 63.100 -0.011 0.000 0.843 344 P CB -0.277 31.418 31.700 -0.009 0.000 0.787 345 V N 0.084 119.965 119.914 -0.055 0.000 2.307 345 V HA -0.240 3.902 4.120 0.036 0.000 0.245 345 V C 2.509 178.548 176.094 -0.092 0.000 1.045 345 V CA 2.106 64.333 62.300 -0.122 0.000 1.024 345 V CB -1.984 29.779 31.823 -0.099 0.000 0.651 345 V HN 0.099 nan 8.190 nan 0.000 0.449 346 A N 0.717 123.522 122.820 -0.025 0.000 1.873 346 A HA -0.202 4.140 4.320 0.036 0.000 0.218 346 A C 2.212 179.787 177.584 -0.015 0.000 1.193 346 A CA 2.294 54.331 52.037 0.000 0.000 0.629 346 A CB -0.643 18.366 19.000 0.016 0.000 0.826 346 A HN 0.507 nan 8.150 nan 0.000 0.447 347 I N -0.880 119.679 120.570 -0.019 0.000 2.208 347 I HA -0.295 3.897 4.170 0.036 0.000 0.245 347 I C 2.784 178.885 176.117 -0.027 0.000 1.097 347 I CA 2.066 63.357 61.300 -0.014 0.000 1.363 347 I CB -0.829 37.169 38.000 -0.004 0.000 1.051 347 I HN 0.473 nan 8.210 nan 0.000 0.413 348 Q N 1.459 121.224 119.800 -0.058 0.000 2.096 348 Q HA -0.173 4.189 4.340 0.036 0.000 0.204 348 Q C 2.233 178.189 176.000 -0.073 0.000 0.982 348 Q CA 2.399 58.155 55.803 -0.078 0.000 0.850 348 Q CB -0.241 28.416 28.738 -0.135 0.000 0.901 348 Q HN 0.489 nan 8.270 nan 0.000 0.422 349 A N -0.137 122.631 122.820 -0.086 0.000 1.858 349 A HA -0.045 4.297 4.320 0.036 0.000 0.216 349 A C 2.334 179.918 177.584 -0.000 0.000 1.190 349 A CA 1.638 53.656 52.037 -0.033 0.000 0.617 349 A CB -1.580 17.433 19.000 0.021 0.000 0.827 349 A HN 0.572 nan 8.150 nan 0.000 0.443 350 G N -0.693 108.109 108.800 0.005 0.000 2.491 350 G HA2 -0.287 3.695 3.960 0.036 0.000 0.218 350 G HA3 -0.287 3.695 3.960 0.036 0.000 0.218 350 G C 1.808 176.717 174.900 0.016 0.000 1.180 350 G CA 1.123 46.232 45.100 0.014 0.000 0.774 350 G HN 0.528 nan 8.290 nan 0.000 0.562 351 R N -0.447 120.063 120.500 0.015 0.000 2.070 351 R HA 0.060 4.421 4.340 0.036 0.000 0.232 351 R C 2.776 179.091 176.300 0.025 0.000 1.138 351 R CA 1.296 57.416 56.100 0.033 0.000 0.936 351 R CB -0.561 29.754 30.300 0.025 0.000 0.839 351 R HN 0.338 nan 8.270 nan 0.000 0.429 352 L N 0.713 121.936 121.223 0.000 0.000 2.042 352 L HA -0.235 4.126 4.340 0.036 0.000 0.210 352 L C 2.499 179.346 176.870 -0.039 0.000 1.076 352 L CA 0.739 55.571 54.840 -0.013 0.000 0.749 352 L CB -0.498 41.551 42.059 -0.017 0.000 0.893 352 L HN 0.259 nan 8.230 nan 0.000 0.432 353 L N 0.415 121.611 121.223 -0.045 0.000 1.971 353 L HA -0.234 4.128 4.340 0.036 0.000 0.215 353 L C 2.663 179.445 176.870 -0.147 0.000 1.072 353 L CA 2.283 57.056 54.840 -0.111 0.000 0.758 353 L CB -0.956 41.035 42.059 -0.114 0.000 0.889 353 L HN 0.162 nan 8.230 nan 0.000 0.433 354 A N -1.158 121.630 122.820 -0.052 0.000 1.948 354 A HA -0.316 4.025 4.320 0.036 0.000 0.220 354 A C 2.191 179.728 177.584 -0.077 0.000 1.177 354 A CA 2.210 54.274 52.037 0.045 0.000 0.636 354 A CB -0.713 18.383 19.000 0.160 0.000 0.815 354 A HN 0.758 nan 8.150 nan 0.000 0.449 355 Q N -1.033 118.701 119.800 -0.111 0.000 2.046 355 Q HA -0.135 4.226 4.340 0.036 0.000 0.200 355 Q C 2.413 178.267 176.000 -0.243 0.000 0.975 355 Q CA 1.302 56.969 55.803 -0.226 0.000 0.836 355 Q CB -0.204 28.492 28.738 -0.070 0.000 0.896 355 Q HN 0.619 nan 8.270 nan 0.000 0.428 356 R N 0.330 120.721 120.500 -0.183 0.000 2.103 356 R HA -0.154 4.207 4.340 0.036 0.000 0.242 356 R C 2.284 178.427 176.300 -0.262 0.000 1.142 356 R CA 1.196 57.189 56.100 -0.178 0.000 0.960 356 R CB -0.363 29.854 30.300 -0.139 0.000 0.858 356 R HN 0.262 nan 8.270 nan 0.000 0.439 357 L N -1.038 119.936 121.223 -0.414 0.000 1.971 357 L HA -0.127 4.235 4.340 0.036 0.000 0.208 357 L C 1.711 178.190 176.870 -0.651 0.000 1.083 357 L CA 1.214 55.665 54.840 -0.647 0.000 0.753 357 L CB -0.640 40.738 42.059 -1.135 0.000 0.893 357 L HN 0.147 nan 8.230 nan 0.000 0.436 358 Y N -0.257 119.907 120.300 -0.225 0.000 2.519 358 Y HA 0.246 4.818 4.550 0.036 0.000 0.311 358 Y C 1.203 176.839 175.900 -0.439 0.000 1.207 358 Y CA 0.377 58.319 58.100 -0.263 0.000 1.289 358 Y CB -0.394 37.933 38.460 -0.223 0.000 1.059 358 Y HN 0.194 nan 8.280 nan 0.000 0.507 359 A N -1.436 121.172 122.820 -0.354 0.000 2.574 359 A HA 0.527 4.868 4.320 0.036 0.000 0.246 359 A C 1.573 179.077 177.584 -0.133 0.000 1.025 359 A CA 0.200 52.061 52.037 -0.293 0.000 1.043 359 A CB -0.511 18.132 19.000 -0.595 0.000 1.177 359 A HN 0.473 nan 8.150 nan 0.000 0.526 360 G N 0.126 108.851 108.800 -0.125 0.000 2.168 360 G HA2 -0.225 3.757 3.960 0.036 0.000 0.263 360 G HA3 -0.225 3.757 3.960 0.036 0.000 0.263 360 G C 0.575 175.440 174.900 -0.059 0.000 0.977 360 G CA 0.980 46.037 45.100 -0.072 0.000 0.659 360 G HN 1.618 nan 8.290 nan 0.000 0.533 361 S N -0.275 115.378 115.700 -0.079 0.000 2.579 361 S HA 0.523 5.014 4.470 0.036 0.000 0.275 361 S C 1.420 175.993 174.600 -0.046 0.000 1.345 361 S CA 1.425 59.595 58.200 -0.050 0.000 1.031 361 S CB 0.781 63.949 63.200 -0.055 0.000 0.892 361 S HN 1.432 nan 8.310 nan 0.000 0.529 362 T N 0.501 115.040 114.554 -0.025 0.000 3.399 362 T HA 0.326 4.698 4.350 0.036 0.000 0.305 362 T C -0.487 174.210 174.700 -0.006 0.000 0.983 362 T CA -0.440 61.651 62.100 -0.016 0.000 0.967 362 T CB -0.342 68.520 68.868 -0.009 0.000 1.186 362 T HN 0.289 nan 8.240 nan 0.000 0.504 363 V N 2.503 122.412 119.914 -0.008 0.000 2.383 363 V HA 0.429 4.571 4.120 0.036 0.000 0.275 363 V C 0.070 176.169 176.094 0.008 0.000 1.036 363 V CA -0.711 61.590 62.300 0.001 0.000 0.889 363 V CB 1.077 32.899 31.823 -0.001 0.000 0.985 363 V HN 0.404 nan 8.190 nan 0.000 0.459 364 K N 2.936 123.351 120.400 0.025 0.000 2.110 364 K HA 0.456 4.797 4.320 0.036 0.000 0.263 364 K C -0.206 176.431 176.600 0.061 0.000 0.975 364 K CA -0.530 55.787 56.287 0.051 0.000 0.895 364 K CB 1.596 34.136 32.500 0.067 0.000 1.060 364 K HN 0.723 nan 8.250 nan 0.000 0.448 365 C N 2.267 121.621 119.300 0.090 0.000 2.648 365 C HA 0.057 4.539 4.460 0.036 0.000 0.419 365 C C 0.077 175.135 174.990 0.114 0.000 1.352 365 C CA -0.046 58.977 59.018 0.008 0.000 1.816 365 C CB -0.617 27.056 27.740 -0.112 0.000 2.598 365 C HN 0.713 nan 8.230 nan 0.000 0.598 366 D N 4.146 124.547 120.400 0.003 0.000 2.412 366 D HA 0.236 4.898 4.640 0.036 0.000 0.224 366 D C -0.321 176.026 176.300 0.079 0.000 1.093 366 D CA -0.255 53.807 54.000 0.103 0.000 0.850 366 D CB 0.295 41.118 40.800 0.039 0.000 1.046 366 D HN 0.674 nan 8.370 nan 0.000 0.507 367 Y N 1.555 121.855 120.300 -0.001 0.000 2.470 367 Y HA 0.220 4.791 4.550 0.035 0.000 0.302 367 Y C 0.631 176.528 175.900 -0.005 0.000 1.194 367 Y CA -0.288 57.810 58.100 -0.004 0.000 1.271 367 Y CB -0.171 38.287 38.460 -0.005 0.000 1.092 367 Y HN 0.253 nan 8.280 nan 0.000 0.513 368 E N 1.237 121.517 120.200 0.133 0.000 2.227 368 E HA 0.168 4.540 4.350 0.036 0.000 0.282 368 E C -0.175 176.454 176.600 0.049 0.000 1.015 368 E CA -0.477 55.972 56.400 0.082 0.000 0.823 368 E CB 0.357 30.100 29.700 0.072 0.000 1.081 368 E HN 0.215 nan 8.360 nan 0.000 0.396 369 N N 1.108 119.834 118.700 0.044 0.000 2.688 369 N HA -0.176 4.586 4.740 0.036 0.000 0.258 369 N C -1.034 174.476 175.510 -0.000 0.000 1.016 369 N CA 0.274 53.339 53.050 0.025 0.000 0.747 369 N CB -1.054 37.448 38.487 0.026 0.000 0.895 369 N HN 0.126 nan 8.380 nan 0.000 0.543 370 V N 2.204 122.117 119.914 -0.001 0.000 2.461 370 V HA 0.265 4.406 4.120 0.036 0.000 0.275 370 V C -1.060 175.013 176.094 -0.035 0.000 1.047 370 V CA -1.005 61.282 62.300 -0.022 0.000 0.955 370 V CB 1.415 33.228 31.823 -0.016 0.000 0.988 370 V HN 0.239 nan 8.190 nan 0.000 0.471 371 P HA 0.286 nan 4.420 nan 0.000 0.274 371 P C -0.509 176.761 177.300 -0.050 0.000 1.237 371 P CA -0.021 63.035 63.100 -0.073 0.000 0.793 371 P CB 1.514 33.154 31.700 -0.101 0.000 0.977 372 T N -0.566 113.950 114.554 -0.063 0.000 2.853 372 T HA 0.516 4.887 4.350 0.036 0.000 0.311 372 T C -1.511 173.135 174.700 -0.089 0.000 1.307 372 T CA -0.276 61.807 62.100 -0.028 0.000 1.019 372 T CB 1.197 70.067 68.868 0.003 0.000 1.264 372 T HN 0.387 nan 8.240 nan 0.000 0.497 373 T N 2.123 116.640 114.554 -0.063 0.000 2.971 373 T HA 0.537 4.908 4.350 0.036 0.000 0.304 373 T C -1.063 173.444 174.700 -0.321 0.000 1.038 373 T CA -0.439 61.482 62.100 -0.299 0.000 1.007 373 T CB 1.468 70.061 68.868 -0.458 0.000 1.055 373 T HN 0.515 nan 8.240 nan 0.000 0.451 374 V N 4.185 123.901 119.914 -0.330 0.000 2.350 374 V HA 0.339 4.481 4.120 0.036 0.000 0.276 374 V C -0.219 175.633 176.094 -0.403 0.000 1.028 374 V CA -0.577 61.646 62.300 -0.128 0.000 0.860 374 V CB 0.369 32.178 31.823 -0.023 0.000 0.990 374 V HN 0.899 nan 8.190 nan 0.000 0.453 375 F N 3.430 123.348 119.950 -0.053 0.000 2.727 375 F HA 0.118 4.667 4.527 0.036 0.000 0.349 375 F C 1.630 177.200 175.800 -0.384 0.000 1.172 375 F CA -0.351 57.496 58.000 -0.255 0.000 1.355 375 F CB -0.698 38.082 39.000 -0.367 0.000 1.546 375 F HN 0.539 nan 8.300 nan 0.000 0.596 376 T N -2.518 111.973 114.554 -0.105 0.000 2.788 376 T HA 0.111 4.482 4.350 0.036 0.000 0.287 376 T C -1.434 173.289 174.700 0.039 0.000 1.007 376 T CA -1.630 60.453 62.100 -0.028 0.000 1.005 376 T CB 0.816 69.689 68.868 0.009 0.000 1.012 376 T HN -0.044 nan 8.240 nan 0.000 0.530 377 P HA -0.070 nan 4.420 nan 0.000 0.218 377 P C 0.209 177.569 177.300 0.099 0.000 1.154 377 P CA 0.770 63.982 63.100 0.186 0.000 0.872 377 P CB 0.021 31.817 31.700 0.160 0.000 0.790 378 L N 0.225 121.373 121.223 -0.125 0.000 2.277 378 L HA 0.207 4.569 4.340 0.036 0.000 0.284 378 L C 0.103 176.979 176.870 0.009 0.000 1.028 378 L CA -0.647 54.092 54.840 -0.169 0.000 0.835 378 L CB 0.168 41.859 42.059 -0.613 0.000 1.215 378 L HN -0.104 nan 8.230 nan 0.000 0.425 379 E N 3.275 123.551 120.200 0.127 0.000 2.436 379 E HA 0.006 4.378 4.350 0.036 0.000 0.262 379 E C -1.361 175.328 176.600 0.148 0.000 1.063 379 E CA 0.274 56.725 56.400 0.084 0.000 0.944 379 E CB 0.644 30.410 29.700 0.112 0.000 0.950 379 E HN 0.450 nan 8.360 nan 0.000 0.444 380 Y N 0.333 120.583 120.300 -0.084 0.000 2.346 380 Y HA 0.496 5.067 4.550 0.036 0.000 0.332 380 Y C -0.489 175.396 175.900 -0.025 0.000 0.985 380 Y CA -0.940 57.155 58.100 -0.008 0.000 1.112 380 Y CB 1.431 39.864 38.460 -0.045 0.000 1.170 380 Y HN 0.500 nan 8.280 nan 0.000 0.447 381 G N 2.747 111.473 108.800 -0.122 0.000 2.454 381 G HA2 0.874 4.856 3.960 0.036 0.000 0.329 381 G HA3 0.874 4.856 3.960 0.036 0.000 0.329 381 G C -1.716 172.986 174.900 -0.330 0.000 1.177 381 G CA -0.468 44.483 45.100 -0.248 0.000 0.951 381 G HN 1.191 nan 8.290 nan 0.000 0.485 382 A N -1.106 121.549 122.820 -0.275 0.000 2.597 382 A HA 0.697 5.038 4.320 0.036 0.000 0.292 382 A C -1.310 176.182 177.584 -0.155 0.000 1.057 382 A CA -0.373 51.528 52.037 -0.227 0.000 0.674 382 A CB 1.414 20.229 19.000 -0.308 0.000 1.278 382 A HN 1.930 nan 8.150 nan 0.000 0.416 383 C N 0.732 119.944 119.300 -0.146 0.000 3.046 383 C HA 0.780 5.262 4.460 0.036 0.000 0.388 383 C C 0.493 175.465 174.990 -0.031 0.000 1.041 383 C CA 1.376 60.345 59.018 -0.082 0.000 1.241 383 C CB 0.572 28.244 27.740 -0.114 0.000 1.638 383 C HN 3.061 nan 8.230 nan 0.000 0.539 384 G N 4.295 113.105 108.800 0.016 0.000 2.587 384 G HA2 -0.051 3.931 3.960 0.036 0.000 0.212 384 G HA3 -0.051 3.931 3.960 0.036 0.000 0.212 384 G C -0.822 174.155 174.900 0.129 0.000 1.327 384 G CA -0.373 44.771 45.100 0.073 0.000 0.898 384 G HN 1.212 nan 8.290 nan 0.000 0.551 385 L N 1.019 122.348 121.223 0.177 0.000 2.461 385 L HA 0.457 4.819 4.340 0.036 0.000 0.272 385 L C 1.684 178.750 176.870 0.328 0.000 1.197 385 L CA 0.148 55.117 54.840 0.215 0.000 0.836 385 L CB 0.815 43.003 42.059 0.214 0.000 1.105 385 L HN 1.015 nan 8.230 nan 0.000 0.477 386 S N 0.610 116.462 115.700 0.252 0.000 2.661 386 S HA 0.098 4.590 4.470 0.036 0.000 0.265 386 S C 0.808 175.463 174.600 0.092 0.000 1.225 386 S CA -0.478 57.832 58.200 0.183 0.000 0.986 386 S CB 1.330 64.602 63.200 0.121 0.000 1.008 386 S HN 0.749 nan 8.310 nan 0.000 0.565 387 E N 0.352 120.534 120.200 -0.031 0.000 2.072 387 E HA -0.155 4.217 4.350 0.036 0.000 0.191 387 E C 1.700 178.312 176.600 0.020 0.000 0.985 387 E CA 1.308 57.702 56.400 -0.010 0.000 0.801 387 E CB -0.172 29.485 29.700 -0.072 0.000 0.750 387 E HN 0.780 nan 8.360 nan 0.000 0.452 388 E N 0.822 121.029 120.200 0.012 0.000 2.012 388 E HA -0.174 4.197 4.350 0.036 0.000 0.197 388 E C 2.026 178.651 176.600 0.043 0.000 1.007 388 E CA 1.134 57.546 56.400 0.020 0.000 0.816 388 E CB -0.057 29.652 29.700 0.016 0.000 0.762 388 E HN -0.015 nan 8.360 nan 0.000 0.451 389 K N 0.332 120.765 120.400 0.056 0.000 2.281 389 K HA -0.072 4.270 4.320 0.036 0.000 0.203 389 K C 1.940 178.602 176.600 0.103 0.000 1.046 389 K CA 1.061 57.386 56.287 0.063 0.000 0.938 389 K CB -0.251 32.289 32.500 0.067 0.000 0.737 389 K HN 0.179 nan 8.250 nan 0.000 0.458 390 A N 0.717 123.623 122.820 0.144 0.000 1.874 390 A HA -0.071 4.270 4.320 0.036 0.000 0.214 390 A C 2.483 180.218 177.584 0.252 0.000 1.189 390 A CA 1.040 53.225 52.037 0.246 0.000 0.615 390 A CB -0.539 18.575 19.000 0.191 0.000 0.830 390 A HN 0.032 nan 8.150 nan 0.000 0.443 391 V N 0.319 120.315 119.914 0.136 0.000 2.255 391 V HA -0.328 3.814 4.120 0.036 0.000 0.247 391 V C 2.596 178.737 176.094 0.079 0.000 1.051 391 V CA 2.587 64.946 62.300 0.099 0.000 1.018 391 V CB -0.744 31.108 31.823 0.048 0.000 0.641 391 V HN 0.829 nan 8.190 nan 0.000 0.445 392 E N 0.313 120.540 120.200 0.045 0.000 2.049 392 E HA -0.333 4.038 4.350 0.036 0.000 0.198 392 E C 2.340 178.916 176.600 -0.040 0.000 1.007 392 E CA 2.216 58.619 56.400 0.004 0.000 0.809 392 E CB -0.289 29.410 29.700 -0.002 0.000 0.749 392 E HN 0.535 nan 8.360 nan 0.000 0.450 393 K N -1.105 119.250 120.400 -0.075 0.000 2.148 393 K HA -0.127 4.215 4.320 0.036 0.000 0.204 393 K C 1.145 177.432 176.600 -0.522 0.000 1.050 393 K CA 1.452 57.550 56.287 -0.315 0.000 0.942 393 K CB 0.016 32.259 32.500 -0.429 0.000 0.724 393 K HN 0.205 nan 8.250 nan 0.000 0.446 394 F N -0.585 119.372 119.950 0.013 0.000 2.728 394 F HA 0.315 4.863 4.527 0.036 0.000 0.314 394 F C 0.367 176.172 175.800 0.007 0.000 1.094 394 F CA 0.164 58.171 58.000 0.012 0.000 1.217 394 F CB 1.550 40.560 39.000 0.017 0.000 1.056 394 F HN 0.086 nan 8.300 nan 0.000 0.577 395 G N 1.787 110.677 108.800 0.150 0.000 3.322 395 G HA2 -0.212 3.770 3.960 0.036 0.000 0.686 395 G HA3 -0.212 3.770 3.960 0.036 0.000 0.686 395 G C 0.436 175.387 174.900 0.085 0.000 1.015 395 G CA -0.062 45.092 45.100 0.090 0.000 0.826 395 G HN 0.389 nan 8.290 nan 0.000 0.538 396 E N 1.235 121.465 120.200 0.050 0.000 2.136 396 E HA -0.322 4.050 4.350 0.036 0.000 0.208 396 E C 1.919 178.532 176.600 0.021 0.000 1.035 396 E CA 2.825 59.242 56.400 0.029 0.000 0.838 396 E CB -0.118 29.590 29.700 0.013 0.000 0.748 396 E HN 0.783 nan 8.360 nan 0.000 0.459 397 E N 0.289 120.503 120.200 0.023 0.000 2.153 397 E HA -0.151 4.221 4.350 0.036 0.000 0.194 397 E C 1.250 177.859 176.600 0.016 0.000 0.988 397 E CA 1.397 57.806 56.400 0.015 0.000 0.811 397 E CB -0.104 29.607 29.700 0.018 0.000 0.746 397 E HN 0.392 nan 8.360 nan 0.000 0.466 398 N N -0.136 118.587 118.700 0.038 0.000 2.270 398 N HA 0.098 4.860 4.740 0.036 0.000 0.198 398 N C -0.683 174.827 175.510 -0.001 0.000 1.117 398 N CA 0.089 53.158 53.050 0.032 0.000 0.845 398 N CB 0.540 39.074 38.487 0.078 0.000 0.980 398 N HN 0.088 nan 8.380 nan 0.000 0.486 399 I N 1.202 121.772 120.570 -0.001 0.000 2.362 399 I HA 0.182 4.374 4.170 0.036 0.000 0.289 399 I C -0.106 175.969 176.117 -0.069 0.000 0.994 399 I CA -0.964 60.319 61.300 -0.028 0.000 1.158 399 I CB 1.223 39.232 38.000 0.014 0.000 1.315 399 I HN -0.186 nan 8.210 nan 0.000 0.451 400 E N 5.190 125.328 120.200 -0.104 0.000 2.191 400 E HA 0.509 4.881 4.350 0.036 0.000 0.278 400 E C -1.143 175.311 176.600 -0.243 0.000 0.972 400 E CA -0.529 55.732 56.400 -0.231 0.000 0.804 400 E CB 2.441 31.939 29.700 -0.337 0.000 1.110 400 E HN 0.173 nan 8.360 nan 0.000 0.394 401 V N 4.799 124.533 119.914 -0.300 0.000 2.376 401 V HA 0.254 4.396 4.120 0.036 0.000 0.287 401 V C -1.164 174.828 176.094 -0.170 0.000 1.015 401 V CA -0.703 61.494 62.300 -0.171 0.000 0.834 401 V CB 0.453 32.182 31.823 -0.156 0.000 1.001 401 V HN 0.492 nan 8.190 nan 0.000 0.428 402 Y N 5.017 125.331 120.300 0.023 0.000 2.328 402 Y HA 0.651 5.222 4.550 0.036 0.000 0.337 402 Y C 0.620 176.563 175.900 0.071 0.000 1.008 402 Y CA -0.508 57.627 58.100 0.057 0.000 1.129 402 Y CB 0.884 39.342 38.460 -0.003 0.000 1.185 402 Y HN 0.848 nan 8.280 nan 0.000 0.476 403 H N -0.923 118.138 119.070 -0.014 0.000 2.949 403 H HA 0.903 5.481 4.556 0.036 0.000 0.356 403 H C -1.229 173.927 175.328 -0.288 0.000 1.212 403 H CA -1.343 54.569 56.048 -0.226 0.000 1.136 403 H CB 2.350 31.992 29.762 -0.200 0.000 1.869 403 H HN 0.477 nan 8.280 nan 0.000 0.556 404 S N 0.158 115.503 115.700 -0.592 0.000 2.556 404 S HA 0.258 4.749 4.470 0.036 0.000 0.280 404 S C -1.754 172.559 174.600 -0.478 0.000 1.141 404 S CA -0.707 57.214 58.200 -0.465 0.000 0.883 404 S CB 0.723 63.737 63.200 -0.312 0.000 1.103 404 S HN 0.544 nan 8.310 nan 0.000 0.453 405 Y N 2.360 122.599 120.300 -0.101 0.000 2.282 405 Y HA 0.737 5.308 4.550 0.036 0.000 0.335 405 Y C 0.273 176.309 175.900 0.227 0.000 1.335 405 Y CA 0.271 58.417 58.100 0.077 0.000 1.529 405 Y CB 0.808 39.315 38.460 0.078 0.000 1.429 405 Y HN 0.692 nan 8.280 nan 0.000 0.563 406 F N -1.926 118.151 119.950 0.213 0.000 2.744 406 F HA 0.425 4.973 4.527 0.036 0.000 0.311 406 F C -2.335 173.630 175.800 0.274 0.000 1.144 406 F CA -1.817 56.274 58.000 0.151 0.000 0.938 406 F CB 0.765 39.769 39.000 0.007 0.000 1.292 406 F HN 0.385 nan 8.300 nan 0.000 0.444 407 W N 4.577 125.917 121.300 0.066 0.000 2.587 407 W HA 0.734 5.416 4.660 0.035 0.000 0.324 407 W C -3.056 173.435 176.519 -0.046 0.000 1.008 407 W CA -3.222 54.102 57.345 -0.035 0.000 1.265 407 W CB 1.612 31.120 29.460 0.081 0.000 1.328 407 W HN 0.437 nan 8.180 nan 0.000 0.432 408 P HA -0.108 nan 4.420 nan 0.000 0.260 408 P C 1.078 178.122 177.300 -0.427 0.000 1.185 408 P CA 0.009 62.836 63.100 -0.456 0.000 0.763 408 P CB 0.619 31.604 31.700 -1.192 0.000 0.776 409 L N 4.935 126.010 121.223 -0.247 0.000 2.021 409 L HA -0.261 4.101 4.340 0.036 0.000 0.215 409 L C 1.631 178.402 176.870 -0.165 0.000 1.074 409 L CA 2.090 56.792 54.840 -0.230 0.000 0.760 409 L CB -1.233 40.752 42.059 -0.125 0.000 0.889 409 L HN 0.323 nan 8.230 nan 0.000 0.433 410 E N -1.267 118.905 120.200 -0.048 0.000 2.273 410 E HA -0.249 4.123 4.350 0.036 0.000 0.198 410 E C 1.765 178.606 176.600 0.402 0.000 1.002 410 E CA 1.398 57.914 56.400 0.192 0.000 0.828 410 E CB -0.441 29.371 29.700 0.187 0.000 0.747 410 E HN 0.616 nan 8.360 nan 0.000 0.491 411 W N 0.205 121.454 121.300 -0.084 0.000 3.003 411 W HA 0.124 4.806 4.660 0.036 0.000 0.257 411 W C 1.981 178.421 176.519 -0.131 0.000 1.308 411 W CA 1.051 58.391 57.345 -0.008 0.000 1.529 411 W CB -1.175 28.386 29.460 0.167 0.000 1.115 411 W HN 0.166 nan 8.180 nan 0.000 0.659 412 T N -1.786 112.585 114.554 -0.305 0.000 2.737 412 T HA -0.175 4.197 4.350 0.036 0.000 0.265 412 T C 1.852 176.491 174.700 -0.101 0.000 1.038 412 T CA 1.215 63.059 62.100 -0.426 0.000 1.144 412 T CB -0.616 67.880 68.868 -0.620 0.000 0.866 412 T HN 0.024 nan 8.240 nan 0.000 0.434 413 I N 2.113 122.593 120.570 -0.150 0.000 2.226 413 I HA -0.056 4.136 4.170 0.036 0.000 0.245 413 I C -0.556 175.505 176.117 -0.094 0.000 1.100 413 I CA 1.307 62.459 61.300 -0.246 0.000 1.374 413 I CB -1.504 36.051 38.000 -0.741 0.000 1.057 413 I HN 0.261 nan 8.210 nan 0.000 0.413 414 P HA -0.080 nan 4.420 nan 0.000 0.229 414 P C 0.470 177.845 177.300 0.124 0.000 1.160 414 P CA 0.682 63.848 63.100 0.109 0.000 0.777 414 P CB 0.034 31.839 31.700 0.175 0.000 0.814 415 S N -0.052 115.759 115.700 0.185 0.000 3.625 415 S HA -0.175 4.316 4.470 0.036 0.000 0.426 415 S C 0.019 174.777 174.600 0.265 0.000 0.884 415 S CA 0.442 58.807 58.200 0.275 0.000 1.322 415 S CB -1.571 61.725 63.200 0.160 0.000 0.905 415 S HN 0.519 nan 8.310 nan 0.000 0.586 416 R N 0.780 121.511 120.500 0.385 0.000 2.710 416 R HA 0.645 5.006 4.340 0.036 0.000 0.270 416 R C -0.834 175.630 176.300 0.272 0.000 1.021 416 R CA -0.321 55.905 56.100 0.211 0.000 0.889 416 R CB 0.390 30.717 30.300 0.046 0.000 1.243 416 R HN 0.101 nan 8.270 nan 0.000 0.464 417 D N 0.405 120.849 120.400 0.072 0.000 2.686 417 D HA -0.198 4.464 4.640 0.036 0.000 0.235 417 D C -0.792 175.499 176.300 -0.015 0.000 1.160 417 D CA 1.001 55.047 54.000 0.077 0.000 0.645 417 D CB -0.842 39.990 40.800 0.054 0.000 1.039 417 D HN 0.602 nan 8.370 nan 0.000 0.423 418 N N 1.624 120.036 118.700 -0.481 0.000 2.518 418 N HA -0.025 4.737 4.740 0.036 0.000 0.266 418 N C 0.474 175.690 175.510 -0.490 0.000 1.196 418 N CA 0.222 52.582 53.050 -1.150 0.000 0.947 418 N CB 0.316 37.963 38.487 -1.400 0.000 1.098 418 N HN 0.104 nan 8.380 nan 0.000 0.450 419 N N 1.635 120.127 118.700 -0.346 0.000 2.696 419 N HA -0.179 4.583 4.740 0.036 0.000 0.256 419 N C -0.182 175.318 175.510 -0.017 0.000 1.031 419 N CA 0.499 53.448 53.050 -0.169 0.000 0.730 419 N CB -0.122 38.115 38.487 -0.416 0.000 0.894 419 N HN 0.653 nan 8.380 nan 0.000 0.544 420 K N -1.067 119.435 120.400 0.171 0.000 2.403 420 K HA 0.187 4.529 4.320 0.036 0.000 0.199 420 K C 0.841 177.615 176.600 0.289 0.000 1.199 420 K CA 0.344 56.803 56.287 0.285 0.000 0.924 420 K CB 0.007 32.722 32.500 0.359 0.000 1.137 420 K HN 0.257 nan 8.250 nan 0.000 0.510 421 C N 2.094 121.430 119.300 0.060 0.000 2.676 421 C HA 0.299 4.780 4.460 0.036 0.000 0.416 421 C C 0.251 175.196 174.990 -0.075 0.000 1.299 421 C CA -0.295 58.539 59.018 -0.306 0.000 2.048 421 C CB -1.066 25.812 27.740 -1.436 0.000 2.713 421 C HN 0.390 nan 8.230 nan 0.000 0.624 422 Y N 0.406 120.760 120.300 0.090 0.000 2.513 422 Y HA 0.605 5.177 4.550 0.036 0.000 0.340 422 Y C -0.450 175.601 175.900 0.251 0.000 1.055 422 Y CA -0.424 57.726 58.100 0.084 0.000 1.020 422 Y CB 1.176 39.550 38.460 -0.144 0.000 1.301 422 Y HN 0.851 nan 8.280 nan 0.000 0.453 423 A N 5.481 127.989 122.820 -0.521 0.000 2.393 423 A HA 0.811 5.152 4.320 0.036 0.000 0.306 423 A C -1.676 175.613 177.584 -0.491 0.000 1.050 423 A CA -0.778 50.989 52.037 -0.450 0.000 0.724 423 A CB 1.397 19.778 19.000 -1.031 0.000 1.248 423 A HN 0.711 nan 8.150 nan 0.000 0.424 424 K N 2.012 122.358 120.400 -0.090 0.000 2.542 424 K HA 0.733 5.075 4.320 0.036 0.000 0.259 424 K C -1.402 175.246 176.600 0.081 0.000 0.932 424 K CA -0.640 55.651 56.287 0.007 0.000 0.820 424 K CB 1.566 34.152 32.500 0.144 0.000 1.345 424 K HN 0.865 nan 8.250 nan 0.000 0.432 425 I N 0.054 120.672 120.570 0.079 0.000 2.740 425 I HA 0.584 4.775 4.170 0.036 0.000 0.303 425 I C -0.732 175.479 176.117 0.156 0.000 1.044 425 I CA -1.442 59.901 61.300 0.071 0.000 1.064 425 I CB 1.693 39.706 38.000 0.023 0.000 1.249 425 I HN 0.430 nan 8.210 nan 0.000 0.433 426 I N 3.488 124.148 120.570 0.149 0.000 2.362 426 I HA 0.422 4.614 4.170 0.036 0.000 0.289 426 I C -0.424 175.746 176.117 0.087 0.000 0.994 426 I CA -0.452 60.918 61.300 0.116 0.000 1.158 426 I CB 1.196 39.273 38.000 0.129 0.000 1.315 426 I HN 0.688 nan 8.210 nan 0.000 0.451 427 C N 4.419 123.762 119.300 0.072 0.000 2.493 427 C HA 0.411 4.892 4.460 0.036 0.000 0.326 427 C C 0.667 175.614 174.990 -0.072 0.000 1.200 427 C CA -0.667 58.374 59.018 0.039 0.000 1.739 427 C CB 1.571 29.418 27.740 0.180 0.000 2.300 427 C HN 0.757 nan 8.230 nan 0.000 0.500 428 N N 0.973 119.578 118.700 -0.158 0.000 2.558 428 N HA 0.182 4.943 4.740 0.036 0.000 0.233 428 N C 1.038 176.466 175.510 -0.136 0.000 1.038 428 N CA 0.051 52.932 53.050 -0.283 0.000 0.934 428 N CB 0.728 38.886 38.487 -0.548 0.000 1.175 428 N HN 0.670 nan 8.380 nan 0.000 0.512 429 T N 2.140 116.649 114.554 -0.075 0.000 2.778 429 T HA -0.145 4.227 4.350 0.036 0.000 0.269 429 T C 1.396 176.085 174.700 -0.018 0.000 1.050 429 T CA 1.258 63.342 62.100 -0.026 0.000 1.137 429 T CB 0.051 68.910 68.868 -0.014 0.000 0.860 429 T HN 0.496 nan 8.240 nan 0.000 0.468 430 K N 0.540 120.927 120.400 -0.021 0.000 2.439 430 K HA -0.027 4.314 4.320 0.036 0.000 0.197 430 K C 0.458 177.058 176.600 0.000 0.000 1.041 430 K CA 0.689 56.982 56.287 0.009 0.000 0.970 430 K CB 0.121 32.654 32.500 0.053 0.000 0.773 430 K HN 0.148 nan 8.250 nan 0.000 0.479 431 D N 0.737 121.115 120.400 -0.037 0.000 2.795 431 D HA 0.092 4.753 4.640 0.036 0.000 0.335 431 D C -1.116 175.170 176.300 -0.023 0.000 1.262 431 D CA -0.364 53.620 54.000 -0.028 0.000 0.885 431 D CB -0.506 40.260 40.800 -0.056 0.000 1.047 431 D HN 0.027 nan 8.370 nan 0.000 0.500 432 N N 1.980 120.676 118.700 -0.005 0.000 2.716 432 N HA -0.286 4.476 4.740 0.036 0.000 0.250 432 N C -0.573 174.941 175.510 0.005 0.000 1.033 432 N CA 1.074 54.126 53.050 0.004 0.000 0.727 432 N CB -1.465 37.026 38.487 0.006 0.000 0.950 432 N HN 0.599 nan 8.380 nan 0.000 0.541 433 E N -3.567 116.635 120.200 0.003 0.000 2.199 433 E HA -0.388 3.983 4.350 0.036 0.000 0.208 433 E C -0.047 176.558 176.600 0.007 0.000 1.310 433 E CA 0.786 57.198 56.400 0.021 0.000 0.709 433 E CB -1.041 28.706 29.700 0.080 0.000 1.127 433 E HN 0.624 nan 8.360 nan 0.000 0.354 434 R N 0.526 121.005 120.500 -0.034 0.000 2.679 434 R HA 0.183 4.545 4.340 0.036 0.000 0.268 434 R C -0.177 176.112 176.300 -0.019 0.000 1.044 434 R CA 0.141 56.222 56.100 -0.031 0.000 1.105 434 R CB 0.845 31.109 30.300 -0.061 0.000 0.989 434 R HN 0.233 nan 8.270 nan 0.000 0.447 435 V N 6.560 126.483 119.914 0.015 0.000 2.353 435 V HA 0.085 4.226 4.120 0.036 0.000 0.264 435 V C 1.023 177.143 176.094 0.043 0.000 1.049 435 V CA -0.107 62.219 62.300 0.044 0.000 0.896 435 V CB 0.727 32.594 31.823 0.073 0.000 1.025 435 V HN 0.797 nan 8.190 nan 0.000 0.475 436 V N 1.560 121.492 119.914 0.031 0.000 3.660 436 V HA 0.617 4.759 4.120 0.036 0.000 0.276 436 V C 0.798 176.960 176.094 0.113 0.000 1.317 436 V CA 0.738 63.067 62.300 0.050 0.000 1.097 436 V CB 0.154 31.971 31.823 -0.010 0.000 0.863 436 V HN 0.796 nan 8.190 nan 0.000 0.438 437 G N -0.054 108.826 108.800 0.133 0.000 2.740 437 G HA2 0.575 4.557 3.960 0.036 0.000 0.296 437 G HA3 0.575 4.557 3.960 0.036 0.000 0.296 437 G C -2.008 172.975 174.900 0.140 0.000 1.439 437 G CA -0.506 44.707 45.100 0.189 0.000 1.066 437 G HN 0.169 nan 8.290 nan 0.000 0.527 438 F N 3.517 123.352 119.950 -0.192 0.000 2.536 438 F HA 0.617 5.165 4.527 0.036 0.000 0.322 438 F C -0.827 174.676 175.800 -0.494 0.000 1.144 438 F CA -0.898 56.952 58.000 -0.251 0.000 0.924 438 F CB 1.449 40.265 39.000 -0.306 0.000 1.181 438 F HN 0.466 nan 8.300 nan 0.000 0.438 439 H N 5.256 124.276 119.070 -0.084 0.000 2.689 439 H HA 0.641 5.218 4.556 0.036 0.000 0.346 439 H C -1.391 174.119 175.328 0.303 0.000 1.037 439 H CA -0.824 55.392 56.048 0.280 0.000 1.234 439 H CB 2.364 32.351 29.762 0.374 0.000 1.572 439 H HN 0.513 nan 8.280 nan 0.000 0.524 440 V N 5.178 125.434 119.914 0.569 0.000 2.623 440 V HA 0.284 4.425 4.120 0.036 0.000 0.304 440 V C -1.453 175.003 176.094 0.603 0.000 1.054 440 V CA -0.746 61.906 62.300 0.586 0.000 0.882 440 V CB 2.101 34.306 31.823 0.636 0.000 1.002 440 V HN 0.494 nan 8.190 nan 0.000 0.424 441 L N 7.542 129.087 121.223 0.537 0.000 2.276 441 L HA 1.040 5.401 4.340 0.036 0.000 0.286 441 L C 0.128 177.223 176.870 0.374 0.000 1.024 441 L CA 1.134 56.215 54.840 0.401 0.000 0.826 441 L CB 0.781 42.998 42.059 0.263 0.000 1.211 441 L HN 1.013 nan 8.230 nan 0.000 0.422 442 G N 4.552 113.546 108.800 0.324 0.000 2.320 442 G HA2 0.289 4.270 3.960 0.036 0.000 0.296 442 G HA3 0.289 4.270 3.960 0.036 0.000 0.296 442 G C -3.387 171.675 174.900 0.270 0.000 1.306 442 G CA -0.650 44.619 45.100 0.281 0.000 0.836 442 G HN 0.427 nan 8.290 nan 0.000 0.517 443 P HA 0.166 nan 4.420 nan 0.000 0.272 443 P C -0.116 177.316 177.300 0.220 0.000 1.223 443 P CA 0.162 63.410 63.100 0.246 0.000 0.784 443 P CB 0.543 32.367 31.700 0.208 0.000 0.923 444 N N -0.002 118.832 118.700 0.223 0.000 2.708 444 N HA -0.246 4.515 4.740 0.036 0.000 0.249 444 N C 1.248 176.874 175.510 0.193 0.000 1.097 444 N CA 1.026 54.196 53.050 0.200 0.000 0.710 444 N CB -1.599 36.976 38.487 0.147 0.000 1.032 444 N HN 0.601 nan 8.380 nan 0.000 0.551 445 A N 0.136 123.076 122.820 0.200 0.000 1.948 445 A HA -0.097 4.244 4.320 0.036 0.000 0.220 445 A C 2.333 179.977 177.584 0.100 0.000 1.177 445 A CA 2.373 54.511 52.037 0.167 0.000 0.636 445 A CB -0.896 18.185 19.000 0.135 0.000 0.815 445 A HN 0.539 nan 8.150 nan 0.000 0.449 446 G N -0.467 108.397 108.800 0.107 0.000 2.421 446 G HA2 -0.207 3.774 3.960 0.036 0.000 0.216 446 G HA3 -0.207 3.774 3.960 0.036 0.000 0.216 446 G C 1.362 176.309 174.900 0.079 0.000 1.171 446 G CA 0.983 46.147 45.100 0.108 0.000 0.775 446 G HN 0.527 nan 8.290 nan 0.000 0.543 447 E N 0.500 120.761 120.200 0.102 0.000 2.077 447 E HA -0.089 4.283 4.350 0.036 0.000 0.193 447 E C 2.853 179.475 176.600 0.037 0.000 0.989 447 E CA 0.822 57.258 56.400 0.060 0.000 0.800 447 E CB -0.659 29.086 29.700 0.074 0.000 0.746 447 E HN 0.341 nan 8.360 nan 0.000 0.452 448 V N 1.367 121.332 119.914 0.085 0.000 2.307 448 V HA -0.208 3.933 4.120 0.036 0.000 0.245 448 V C 2.384 178.504 176.094 0.043 0.000 1.045 448 V CA 2.133 64.508 62.300 0.125 0.000 1.024 448 V CB -0.821 31.144 31.823 0.238 0.000 0.651 448 V HN 0.269 nan 8.190 nan 0.000 0.449 449 T N -0.914 113.608 114.554 -0.053 0.000 2.777 449 T HA -0.231 4.141 4.350 0.036 0.000 0.266 449 T C 1.905 176.437 174.700 -0.280 0.000 1.040 449 T CA 1.596 63.522 62.100 -0.290 0.000 1.141 449 T CB -0.255 68.474 68.868 -0.232 0.000 0.868 449 T HN 0.409 nan 8.240 nan 0.000 0.444 450 Q N 1.289 120.992 119.800 -0.162 0.000 2.103 450 Q HA -0.159 4.203 4.340 0.036 0.000 0.213 450 Q C 2.318 178.191 176.000 -0.212 0.000 1.008 450 Q CA 2.493 58.204 55.803 -0.152 0.000 0.879 450 Q CB -1.115 27.566 28.738 -0.096 0.000 0.946 450 Q HN 0.532 nan 8.270 nan 0.000 0.413 451 G N -1.523 107.110 108.800 -0.278 0.000 2.402 451 G HA2 -0.210 3.771 3.960 0.036 0.000 0.216 451 G HA3 -0.210 3.771 3.960 0.036 0.000 0.216 451 G C 1.029 175.651 174.900 -0.464 0.000 1.162 451 G CA 0.644 45.522 45.100 -0.370 0.000 0.777 451 G HN 0.406 nan 8.290 nan 0.000 0.539 452 F N 1.878 121.583 119.950 -0.408 0.000 2.333 452 F HA 0.076 4.624 4.527 0.036 0.000 0.300 452 F C 2.876 178.449 175.800 -0.378 0.000 1.083 452 F CA 0.552 58.269 58.000 -0.473 0.000 1.395 452 F CB -0.201 38.192 39.000 -1.011 0.000 1.056 452 F HN 0.246 nan 8.300 nan 0.000 0.529 453 A N 0.053 122.736 122.820 -0.228 0.000 1.873 453 A HA -0.012 4.329 4.320 0.036 0.000 0.215 453 A C 2.427 179.946 177.584 -0.108 0.000 1.186 453 A CA 1.492 53.436 52.037 -0.156 0.000 0.616 453 A CB -1.236 17.673 19.000 -0.151 0.000 0.823 453 A HN 0.263 nan 8.150 nan 0.000 0.442 454 A N -0.372 122.371 122.820 -0.128 0.000 2.070 454 A HA 0.217 4.559 4.320 0.036 0.000 0.220 454 A C 2.330 179.867 177.584 -0.078 0.000 1.159 454 A CA 1.817 53.795 52.037 -0.098 0.000 0.656 454 A CB -0.702 18.231 19.000 -0.111 0.000 0.800 454 A HN 0.938 nan 8.150 nan 0.000 0.453 455 A N -0.144 122.626 122.820 -0.084 0.000 1.897 455 A HA 0.069 4.410 4.320 0.036 0.000 0.215 455 A C 2.050 179.638 177.584 0.006 0.000 1.181 455 A CA 1.173 53.191 52.037 -0.032 0.000 0.620 455 A CB -0.470 18.535 19.000 0.008 0.000 0.821 455 A HN 0.428 nan 8.150 nan 0.000 0.443 456 L N -0.902 120.329 121.223 0.012 0.000 2.131 456 L HA -0.158 4.203 4.340 0.036 0.000 0.210 456 L C 2.393 179.269 176.870 0.011 0.000 1.092 456 L CA 1.780 56.635 54.840 0.025 0.000 0.759 456 L CB -0.550 41.525 42.059 0.026 0.000 0.903 456 L HN 0.337 nan 8.230 nan 0.000 0.435 457 K N -0.785 119.610 120.400 -0.007 0.000 2.515 457 K HA -0.071 4.270 4.320 0.036 0.000 0.196 457 K C 1.603 178.201 176.600 -0.003 0.000 1.038 457 K CA 0.555 56.838 56.287 -0.006 0.000 0.967 457 K CB -0.075 32.414 32.500 -0.019 0.000 0.780 457 K HN 0.276 nan 8.250 nan 0.000 0.483 458 C N -0.901 118.397 119.300 -0.003 0.000 3.038 458 C HA 0.375 4.857 4.460 0.036 0.000 0.279 458 C C 0.997 175.992 174.990 0.007 0.000 1.276 458 C CA -0.011 59.005 59.018 -0.002 0.000 1.697 458 C CB -0.360 27.374 27.740 -0.011 0.000 2.032 458 C HN 0.668 nan 8.230 nan 0.000 0.636 459 G N 1.406 110.215 108.800 0.015 0.000 2.165 459 G HA2 -0.210 3.771 3.960 0.036 0.000 0.226 459 G HA3 -0.210 3.771 3.960 0.036 0.000 0.226 459 G C -0.082 174.831 174.900 0.021 0.000 1.035 459 G CA 0.092 45.203 45.100 0.019 0.000 0.744 459 G HN 0.465 nan 8.290 nan 0.000 0.501 460 L N 1.538 122.779 121.223 0.030 0.000 2.615 460 L HA 0.451 4.813 4.340 0.036 0.000 0.284 460 L C 0.732 177.622 176.870 0.033 0.000 1.237 460 L CA 1.320 56.185 54.840 0.041 0.000 0.905 460 L CB 0.399 42.502 42.059 0.074 0.000 1.149 460 L HN 0.264 nan 8.230 nan 0.000 0.499 461 T N 4.320 118.889 114.554 0.025 0.000 2.918 461 T HA 0.235 4.607 4.350 0.036 0.000 0.286 461 T C 0.797 175.499 174.700 0.005 0.000 1.026 461 T CA -0.588 61.520 62.100 0.014 0.000 1.031 461 T CB 1.805 70.678 68.868 0.009 0.000 1.046 461 T HN 0.579 nan 8.240 nan 0.000 0.479 462 K N 1.936 122.330 120.400 -0.010 0.000 2.211 462 K HA -0.052 4.290 4.320 0.036 0.000 0.204 462 K C 1.958 178.519 176.600 -0.065 0.000 1.047 462 K CA 1.571 57.817 56.287 -0.069 0.000 0.935 462 K CB -0.063 32.368 32.500 -0.114 0.000 0.728 462 K HN 0.523 nan 8.250 nan 0.000 0.452 463 K N 0.194 120.577 120.400 -0.028 0.000 2.001 463 K HA -0.154 4.187 4.320 0.036 0.000 0.208 463 K C 2.074 178.667 176.600 -0.013 0.000 1.048 463 K CA 1.713 57.988 56.287 -0.020 0.000 0.932 463 K CB -0.038 32.459 32.500 -0.005 0.000 0.715 463 K HN 0.277 nan 8.250 nan 0.000 0.437 464 Q N 0.481 120.280 119.800 -0.001 0.000 2.124 464 Q HA -0.185 4.177 4.340 0.036 0.000 0.202 464 Q C 2.155 178.166 176.000 0.017 0.000 0.977 464 Q CA 1.276 57.083 55.803 0.008 0.000 0.850 464 Q CB -0.226 28.520 28.738 0.014 0.000 0.901 464 Q HN 0.230 nan 8.270 nan 0.000 0.429 465 L N 1.526 122.761 121.223 0.021 0.000 2.012 465 L HA -0.194 4.167 4.340 0.036 0.000 0.210 465 L C 1.328 178.210 176.870 0.020 0.000 1.073 465 L CA 1.992 56.860 54.840 0.047 0.000 0.748 465 L CB -0.424 41.657 42.059 0.037 0.000 0.891 465 L HN 0.057 nan 8.230 nan 0.000 0.431 466 D N -1.157 119.229 120.400 -0.023 0.000 2.263 466 D HA -0.136 4.525 4.640 0.036 0.000 0.208 466 D C 2.243 178.535 176.300 -0.014 0.000 0.971 466 D CA 1.242 55.220 54.000 -0.036 0.000 0.867 466 D CB -0.042 40.724 40.800 -0.057 0.000 0.929 466 D HN 0.540 nan 8.370 nan 0.000 0.492 467 S N -1.340 114.358 115.700 -0.003 0.000 2.575 467 S HA 0.076 4.568 4.470 0.036 0.000 0.215 467 S C 0.727 175.331 174.600 0.007 0.000 0.966 467 S CA -0.343 57.857 58.200 -0.001 0.000 0.911 467 S CB 0.141 63.341 63.200 -0.001 0.000 0.780 467 S HN -0.123 nan 8.310 nan 0.000 0.514 468 T N 3.953 118.518 114.554 0.019 0.000 2.882 468 T HA 0.475 4.847 4.350 0.036 0.000 0.287 468 T C -0.088 174.628 174.700 0.027 0.000 0.992 468 T CA -0.487 61.629 62.100 0.027 0.000 1.076 468 T CB 0.707 69.609 68.868 0.055 0.000 0.961 468 T HN 0.195 nan 8.240 nan 0.000 0.490 469 I N 2.647 123.229 120.570 0.020 0.000 2.396 469 I HA 0.353 4.545 4.170 0.036 0.000 0.292 469 I C 1.278 177.415 176.117 0.033 0.000 0.999 469 I CA -0.538 60.773 61.300 0.018 0.000 1.310 469 I CB 0.765 38.771 38.000 0.010 0.000 1.404 469 I HN 0.672 nan 8.210 nan 0.000 0.496 470 G N 5.974 114.794 108.800 0.034 0.000 2.651 470 G HA2 0.492 4.474 3.960 0.036 0.000 0.260 470 G HA3 0.492 4.474 3.960 0.036 0.000 0.260 470 G C -0.247 174.689 174.900 0.061 0.000 1.216 470 G CA -0.559 44.575 45.100 0.056 0.000 0.913 470 G HN 0.541 nan 8.290 nan 0.000 0.535 471 I N 0.275 120.893 120.570 0.080 0.000 2.339 471 I HA 0.211 4.403 4.170 0.036 0.000 0.290 471 I C -0.484 175.717 176.117 0.140 0.000 0.994 471 I CA -0.647 60.703 61.300 0.083 0.000 1.191 471 I CB 1.563 39.596 38.000 0.054 0.000 1.343 471 I HN 0.430 nan 8.210 nan 0.000 0.458 472 H N 7.906 126.982 119.070 0.010 0.000 2.469 472 H HA 0.563 5.141 4.556 0.036 0.000 0.342 472 H C -2.373 172.959 175.328 0.007 0.000 1.115 472 H CA -1.983 54.070 56.048 0.008 0.000 1.204 472 H CB 1.595 31.361 29.762 0.006 0.000 1.492 472 H HN 0.303 nan 8.280 nan 0.000 0.499 473 P HA 0.319 nan 4.420 nan 0.000 0.295 473 P C -1.511 175.738 177.300 -0.085 0.000 1.397 473 P CA -0.652 62.185 63.100 -0.438 0.000 0.903 473 P CB 0.996 32.255 31.700 -0.734 0.000 1.028 474 V N 1.863 121.801 119.914 0.040 0.000 3.049 474 V HA 0.301 4.443 4.120 0.036 0.000 0.309 474 V C 1.059 177.188 176.094 0.058 0.000 1.148 474 V CA -0.530 61.792 62.300 0.037 0.000 0.990 474 V CB 1.342 33.190 31.823 0.041 0.000 1.039 474 V HN 0.526 nan 8.190 nan 0.000 0.430 475 C N 2.894 122.228 119.300 0.057 0.000 2.388 475 C HA -0.077 4.405 4.460 0.036 0.000 0.277 475 C C 3.054 178.003 174.990 -0.069 0.000 1.210 475 C CA 2.063 61.099 59.018 0.031 0.000 1.743 475 C CB -1.614 26.218 27.740 0.154 0.000 2.047 475 C HN 1.260 nan 8.230 nan 0.000 0.458 476 A N 1.325 124.193 122.820 0.079 0.000 2.104 476 A HA -0.289 4.053 4.320 0.036 0.000 0.223 476 A C 2.028 179.741 177.584 0.215 0.000 1.164 476 A CA 2.224 54.398 52.037 0.229 0.000 0.659 476 A CB -0.819 18.347 19.000 0.277 0.000 0.808 476 A HN 0.893 nan 8.150 nan 0.000 0.465 477 E N -0.438 119.815 120.200 0.090 0.000 2.274 477 E HA -0.076 4.296 4.350 0.036 0.000 0.194 477 E C 1.612 178.189 176.600 -0.037 0.000 0.996 477 E CA 0.940 57.385 56.400 0.075 0.000 0.840 477 E CB -0.646 29.094 29.700 0.067 0.000 0.772 477 E HN 0.311 nan 8.360 nan 0.000 0.491 478 V N 0.613 120.397 119.914 -0.217 0.000 2.439 478 V HA -0.272 3.869 4.120 0.036 0.000 0.253 478 V C 1.565 177.379 176.094 -0.468 0.000 1.074 478 V CA 1.744 63.797 62.300 -0.410 0.000 1.076 478 V CB -0.644 30.724 31.823 -0.759 0.000 0.664 478 V HN 0.306 nan 8.190 nan 0.000 0.461 479 F N 1.051 120.863 119.950 -0.230 0.000 2.502 479 F HA -0.039 4.510 4.527 0.036 0.000 0.298 479 F C 2.502 178.218 175.800 -0.139 0.000 1.111 479 F CA 1.505 59.353 58.000 -0.252 0.000 1.445 479 F CB -0.777 37.998 39.000 -0.374 0.000 1.081 479 F HN 0.407 nan 8.300 nan 0.000 0.558 480 T N -4.374 110.221 114.554 0.067 0.000 3.088 480 T HA -0.026 4.346 4.350 0.036 0.000 0.259 480 T C 1.219 175.899 174.700 -0.033 0.000 1.122 480 T CA 1.132 63.262 62.100 0.050 0.000 1.095 480 T CB -0.590 68.317 68.868 0.066 0.000 0.930 480 T HN 0.206 nan 8.240 nan 0.000 0.508 481 T N 0.263 114.768 114.554 -0.082 0.000 3.380 481 T HA 0.493 4.864 4.350 0.036 0.000 0.289 481 T C 0.123 174.748 174.700 -0.124 0.000 1.012 481 T CA -0.658 61.385 62.100 -0.095 0.000 0.944 481 T CB -0.578 68.242 68.868 -0.081 0.000 1.172 481 T HN 0.277 nan 8.240 nan 0.000 0.502 482 L N 2.791 123.914 121.223 -0.166 0.000 2.477 482 L HA 0.288 4.650 4.340 0.036 0.000 0.272 482 L C 1.375 178.181 176.870 -0.106 0.000 1.157 482 L CA -0.109 54.636 54.840 -0.159 0.000 0.889 482 L CB 0.639 42.581 42.059 -0.194 0.000 1.158 482 L HN 0.493 nan 8.230 nan 0.000 0.473 483 S N 0.834 116.529 115.700 -0.009 0.000 2.631 483 S HA 0.151 4.642 4.470 0.036 0.000 0.246 483 S C 0.312 175.003 174.600 0.151 0.000 1.068 483 S CA -0.402 57.838 58.200 0.065 0.000 0.995 483 S CB 0.407 63.617 63.200 0.016 0.000 0.944 483 S HN 0.218 nan 8.310 nan 0.000 0.529 484 V N 3.023 122.998 119.914 0.102 0.000 2.461 484 V HA 0.496 4.637 4.120 0.036 0.000 0.275 484 V C 0.568 176.750 176.094 0.147 0.000 1.047 484 V CA -0.092 62.256 62.300 0.079 0.000 0.955 484 V CB 1.123 32.931 31.823 -0.025 0.000 0.988 484 V HN 0.521 nan 8.190 nan 0.000 0.471 485 T N 3.671 118.269 114.554 0.074 0.000 2.927 485 T HA 0.290 4.662 4.350 0.036 0.000 0.281 485 T C 1.027 175.773 174.700 0.078 0.000 0.998 485 T CA -0.503 61.570 62.100 -0.046 0.000 1.019 485 T CB 1.136 69.859 68.868 -0.242 0.000 1.061 485 T HN 0.729 nan 8.240 nan 0.000 0.518 486 K N 0.714 121.117 120.400 0.004 0.000 2.167 486 K HA 0.004 4.346 4.320 0.036 0.000 0.203 486 K C 2.319 178.914 176.600 -0.008 0.000 1.052 486 K CA 0.604 56.894 56.287 0.006 0.000 0.956 486 K CB -0.020 32.346 32.500 -0.223 0.000 0.735 486 K HN 0.417 nan 8.250 nan 0.000 0.451 487 R N 1.212 121.679 120.500 -0.056 0.000 2.073 487 R HA -0.144 4.218 4.340 0.036 0.000 0.234 487 R C 2.245 178.534 176.300 -0.017 0.000 1.134 487 R CA 2.164 58.237 56.100 -0.045 0.000 0.952 487 R CB -0.772 29.485 30.300 -0.071 0.000 0.850 487 R HN 0.104 nan 8.270 nan 0.000 0.433 488 S N -1.569 114.123 115.700 -0.013 0.000 2.389 488 S HA -0.134 4.358 4.470 0.036 0.000 0.229 488 S C 1.591 176.202 174.600 0.019 0.000 1.048 488 S CA 2.559 60.762 58.200 0.005 0.000 1.117 488 S CB -0.688 62.520 63.200 0.013 0.000 1.020 488 S HN 0.800 nan 8.310 nan 0.000 0.430 489 G N -0.077 108.747 108.800 0.039 0.000 2.255 489 G HA2 0.093 4.074 3.960 0.036 0.000 0.196 489 G HA3 0.093 4.074 3.960 0.036 0.000 0.196 489 G C 0.319 175.250 174.900 0.051 0.000 0.998 489 G CA 0.166 45.292 45.100 0.044 0.000 0.656 489 G HN 1.362 nan 8.290 nan 0.000 0.490 490 A N 0.482 123.330 122.820 0.046 0.000 2.555 490 A HA 0.607 4.949 4.320 0.036 0.000 0.233 490 A C 0.983 178.591 177.584 0.040 0.000 1.060 490 A CA 1.394 53.451 52.037 0.034 0.000 0.759 490 A CB 0.412 19.425 19.000 0.022 0.000 0.995 490 A HN 1.630 nan 8.150 nan 0.000 0.506 491 S N -0.291 115.427 115.700 0.030 0.000 2.601 491 S HA 0.492 4.983 4.470 0.036 0.000 0.271 491 S C 0.625 175.235 174.600 0.016 0.000 1.305 491 S CA 0.005 58.228 58.200 0.038 0.000 1.022 491 S CB 0.045 63.263 63.200 0.030 0.000 0.940 491 S HN 0.774 nan 8.310 nan 0.000 0.525 492 I N 1.631 122.228 120.570 0.044 0.000 4.338 492 I HA 0.417 4.608 4.170 0.036 0.000 0.329 492 I C 0.124 176.354 176.117 0.187 0.000 1.378 492 I CA -0.393 60.934 61.300 0.047 0.000 1.170 492 I CB 0.130 38.054 38.000 -0.126 0.000 1.206 492 I HN 0.340 nan 8.210 nan 0.000 0.432 493 L N 0.000 121.283 121.223 0.101 0.000 2.949 493 L HA 0.000 4.362 4.340 0.036 0.000 0.249 493 L CA 0.000 54.792 54.840 -0.080 0.000 0.813 493 L CB 0.000 41.990 42.059 -0.116 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502