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 3etf_1_A DATA FIRST_RESID 6 DATA SEQUENCE ATQALSVNPA TGQTLAAXPW ANAQEIEHAL SLAASGFKKW KXTSVAQRAQ DATA SEQUENCE TLRDIGQALR AHAEEXAQCI TREXGKPIKQ ARAEVTKSAA LCDWYAEHGP DATA SEQUENCE AXLNPEPTLV ENQQAVIEYR PLGVILAIXP WNFPLWQVLR GAVPILLAGN DATA SEQUENCE SYLLKHAPNV TGCAQXIARI LAEAGTPAGV YGWVNANNEG VSQXINDPRI DATA SEQUENCE AAVTVTGSVR AGAAIGAQAG AALKKCVLEL GGSDPFIVLN DADLELAVKA DATA SEQUENCE AVAGRYQNTG QVCAAAKRFI VEEGIAQAFT DRFVAAAAAL KXGDPLVEEN DATA SEQUENCE DLGPXARFDL RDELHQQVQA SVAEGARLLL GGEKIAGEGN YYAATVLADV DATA SEQUENCE TPDXTAFRQE LFGPVAAITV AKDAAHALAL ANDSEFGLSA TIFTADDTLA DATA SEQUENCE AEXAARLECG GVFINGYSAS DARVAFGGVK KSGFGRELSH FGLHEFCNVQ DATA SEQUENCE TVWKNRV 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.650 177.584 0.111 0.000 1.274 6 A CA 0.000 52.069 52.037 0.053 0.000 0.836 6 A CB 0.000 19.018 19.000 0.030 0.000 0.831 7 T N 0.726 115.383 114.554 0.172 0.000 2.876 7 T HA 0.667 5.017 4.350 -0.000 0.000 0.277 7 T C -0.584 174.295 174.700 0.298 0.000 0.997 7 T CA -0.317 61.903 62.100 0.200 0.000 0.966 7 T CB 1.010 69.988 68.868 0.183 0.000 1.312 7 T HN 0.627 nan 8.240 nan 0.000 0.598 8 Q N 0.799 120.723 119.800 0.207 0.000 2.282 8 Q HA 0.562 4.902 4.340 -0.000 0.000 0.260 8 Q C -0.618 175.379 176.000 -0.004 0.000 0.964 8 Q CA -0.722 55.161 55.803 0.133 0.000 0.880 8 Q CB 1.674 30.437 28.738 0.042 0.000 1.286 8 Q HN 0.786 nan 8.270 nan 0.000 0.445 9 A N 3.346 125.949 122.820 -0.361 0.000 2.906 9 A HA 0.381 4.701 4.320 -0.000 0.000 0.289 9 A C -0.519 176.903 177.584 -0.271 0.000 1.675 9 A CA -0.047 51.686 52.037 -0.507 0.000 1.372 9 A CB -0.639 17.677 19.000 -1.141 0.000 1.091 9 A HN 0.469 nan 8.150 nan 0.000 0.579 10 L N 1.268 122.414 121.223 -0.129 0.000 2.482 10 L HA 0.568 4.908 4.340 -0.000 0.000 0.263 10 L C -0.600 176.240 176.870 -0.051 0.000 0.957 10 L CA 0.156 54.944 54.840 -0.086 0.000 0.836 10 L CB 2.387 44.406 42.059 -0.067 0.000 1.324 10 L HN 0.193 nan 8.230 nan 0.000 0.406 11 S N 3.079 118.752 115.700 -0.044 0.000 2.462 11 S HA 0.856 5.326 4.470 -0.000 0.000 0.294 11 S C -0.896 173.688 174.600 -0.026 0.000 1.144 11 S CA -0.537 57.641 58.200 -0.037 0.000 1.088 11 S CB 1.561 64.740 63.200 -0.035 0.000 1.009 11 S HN 0.427 nan 8.310 nan 0.000 0.484 12 V N 3.621 123.525 119.914 -0.017 0.000 2.686 12 V HA 0.369 4.489 4.120 -0.000 0.000 0.306 12 V C -0.245 175.854 176.094 0.008 0.000 1.065 12 V CA -1.089 61.219 62.300 0.013 0.000 0.894 12 V CB 2.080 33.938 31.823 0.059 0.000 1.004 12 V HN 0.827 nan 8.190 nan 0.000 0.424 13 N N 6.925 125.631 118.700 0.011 0.000 2.416 13 N HA 0.167 4.907 4.740 -0.000 0.000 0.265 13 N C -1.363 174.144 175.510 -0.006 0.000 1.195 13 N CA -1.608 51.435 53.050 -0.012 0.000 0.943 13 N CB 1.742 40.226 38.487 -0.004 0.000 1.115 13 N HN 0.350 nan 8.380 nan 0.000 0.481 14 P HA -0.064 nan 4.420 nan 0.000 0.226 14 P C 0.633 177.777 177.300 -0.260 0.000 1.153 14 P CA 0.684 63.632 63.100 -0.254 0.000 0.777 14 P CB 0.264 31.712 31.700 -0.420 0.000 0.794 15 A N 0.309 123.033 122.820 -0.160 0.000 1.970 15 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 15 A C 2.128 179.750 177.584 0.063 0.000 1.170 15 A CA 2.074 54.058 52.037 -0.089 0.000 0.645 15 A CB -1.316 17.683 19.000 -0.001 0.000 0.816 15 A HN 0.369 nan 8.150 nan 0.000 0.447 16 T N -6.053 108.538 114.554 0.060 0.000 2.971 16 T HA 0.415 4.765 4.350 -0.000 0.000 0.252 16 T C 1.450 176.219 174.700 0.115 0.000 1.022 16 T CA 1.133 63.285 62.100 0.088 0.000 0.980 16 T CB 0.298 69.199 68.868 0.054 0.000 1.044 16 T HN 1.630 nan 8.240 nan 0.000 0.501 17 G N 1.621 110.526 108.800 0.175 0.000 2.184 17 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.264 17 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.264 17 G C -0.099 174.834 174.900 0.055 0.000 0.975 17 G CA 0.138 45.355 45.100 0.195 0.000 0.642 17 G HN 0.662 nan 8.290 nan 0.000 0.536 18 Q N 0.976 120.804 119.800 0.046 0.000 2.243 18 Q HA 0.489 4.829 4.340 -0.000 0.000 0.252 18 Q C 0.440 176.443 176.000 0.006 0.000 0.909 18 Q CA -0.129 55.681 55.803 0.012 0.000 0.922 18 Q CB 1.030 29.774 28.738 0.011 0.000 1.215 18 Q HN 0.252 nan 8.270 nan 0.000 0.427 19 T N 3.048 117.595 114.554 -0.011 0.000 2.902 19 T HA 0.111 4.461 4.350 -0.000 0.000 0.301 19 T C 1.425 176.117 174.700 -0.013 0.000 1.012 19 T CA 0.213 62.303 62.100 -0.016 0.000 1.151 19 T CB 0.333 69.186 68.868 -0.026 0.000 0.946 19 T HN 0.412 nan 8.240 nan 0.000 0.542 20 L N 1.696 122.909 121.223 -0.015 0.000 2.347 20 L HA 0.527 4.867 4.340 -0.000 0.000 0.196 20 L C 1.068 177.927 176.870 -0.018 0.000 1.072 20 L CA 0.169 55.000 54.840 -0.015 0.000 0.817 20 L CB -0.021 42.028 42.059 -0.017 0.000 1.029 20 L HN 0.743 nan 8.230 nan 0.000 0.478 21 A N -0.927 121.879 122.820 -0.024 0.000 2.597 21 A HA 0.768 5.088 4.320 -0.000 0.000 0.292 21 A C -1.530 176.028 177.584 -0.043 0.000 1.057 21 A CA 0.029 52.050 52.037 -0.027 0.000 0.674 21 A CB 0.850 19.841 19.000 -0.017 0.000 1.278 21 A HN 0.072 nan 8.150 nan 0.000 0.416 25 W N 1.199 122.497 121.300 -0.004 0.000 2.137 25 W HA 0.515 5.175 4.660 0.000 0.000 0.344 25 W C 0.839 177.333 176.519 -0.042 0.000 1.286 25 W CA -0.470 56.865 57.345 -0.016 0.000 1.240 25 W CB 0.529 29.984 29.460 -0.008 0.000 1.141 25 W HN 0.513 nan 8.180 nan 0.000 0.579 26 A N 3.360 126.313 122.820 0.221 0.000 2.520 26 A HA 0.103 4.423 4.320 -0.000 0.000 0.245 26 A C 0.200 177.823 177.584 0.064 0.000 1.072 26 A CA -0.452 51.623 52.037 0.064 0.000 0.761 26 A CB -0.366 18.625 19.000 -0.015 0.000 1.004 26 A HN 0.674 nan 8.150 nan 0.000 0.499 27 N N 1.972 120.691 118.700 0.032 0.000 2.364 27 N HA 0.449 5.189 4.740 -0.000 0.000 0.264 27 N C 1.051 176.563 175.510 0.004 0.000 1.263 27 N CA 0.092 53.157 53.050 0.024 0.000 0.959 27 N CB 0.291 38.788 38.487 0.018 0.000 1.204 27 N HN 0.509 nan 8.380 nan 0.000 0.550 28 A N -0.952 121.869 122.820 0.001 0.000 1.908 28 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 28 A C 1.976 179.558 177.584 -0.002 0.000 1.181 28 A CA 1.641 53.674 52.037 -0.006 0.000 0.627 28 A CB -1.041 17.955 19.000 -0.006 0.000 0.818 28 A HN 0.790 nan 8.150 nan 0.000 0.445 29 Q N -0.049 119.752 119.800 0.001 0.000 2.084 29 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 29 Q C 1.826 177.839 176.000 0.022 0.000 0.978 29 Q CA 2.152 57.960 55.803 0.007 0.000 0.844 29 Q CB -0.217 28.518 28.738 -0.005 0.000 0.898 29 Q HN 0.814 nan 8.270 nan 0.000 0.426 30 E N -0.075 120.128 120.200 0.004 0.000 2.106 30 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 30 E C 2.174 178.778 176.600 0.006 0.000 0.984 30 E CA 1.030 57.434 56.400 0.006 0.000 0.806 30 E CB -0.042 29.638 29.700 -0.034 0.000 0.750 30 E HN 0.371 nan 8.360 nan 0.000 0.458 31 I N 0.945 121.505 120.570 -0.017 0.000 2.252 31 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 31 I C 2.551 178.650 176.117 -0.030 0.000 1.102 31 I CA 1.050 62.327 61.300 -0.039 0.000 1.385 31 I CB -0.068 37.906 38.000 -0.043 0.000 1.064 31 I HN 0.051 nan 8.210 nan 0.000 0.414 32 E N 0.674 120.870 120.200 -0.006 0.000 2.077 32 E HA -0.308 4.042 4.350 -0.000 0.000 0.193 32 E C 2.209 178.814 176.600 0.008 0.000 0.989 32 E CA 1.635 58.034 56.400 -0.002 0.000 0.800 32 E CB -0.375 29.332 29.700 0.011 0.000 0.746 32 E HN 0.501 nan 8.360 nan 0.000 0.452 33 H N -0.344 118.699 119.070 -0.045 0.000 2.353 33 H HA -0.048 4.508 4.556 -0.000 0.000 0.300 33 H C 1.739 177.035 175.328 -0.053 0.000 1.090 33 H CA 1.676 57.698 56.048 -0.043 0.000 1.327 33 H CB -0.057 29.679 29.762 -0.044 0.000 1.383 33 H HN 0.288 nan 8.280 nan 0.000 0.508 34 A N 1.300 124.026 122.820 -0.156 0.000 1.902 34 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 34 A C 2.817 180.283 177.584 -0.198 0.000 1.181 34 A CA 1.288 53.201 52.037 -0.206 0.000 0.623 34 A CB -0.830 18.085 19.000 -0.141 0.000 0.818 34 A HN 0.422 nan 8.150 nan 0.000 0.443 35 L N -0.964 120.175 121.223 -0.141 0.000 2.056 35 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 35 L C 2.929 179.736 176.870 -0.106 0.000 1.078 35 L CA 1.454 56.227 54.840 -0.112 0.000 0.749 35 L CB -0.433 41.578 42.059 -0.080 0.000 0.901 35 L HN 0.490 nan 8.230 nan 0.000 0.433 36 S N 0.067 115.698 115.700 -0.115 0.000 2.368 36 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 36 S C 1.946 176.476 174.600 -0.116 0.000 1.030 36 S CA 1.298 59.444 58.200 -0.091 0.000 0.999 36 S CB -0.194 62.966 63.200 -0.067 0.000 0.844 36 S HN 0.252 nan 8.310 nan 0.000 0.459 37 L N 1.643 122.726 121.223 -0.232 0.000 2.056 37 L HA 0.176 4.516 4.340 -0.000 0.000 0.207 37 L C 2.539 179.344 176.870 -0.107 0.000 1.078 37 L CA 1.891 56.606 54.840 -0.208 0.000 0.749 37 L CB -1.157 40.675 42.059 -0.378 0.000 0.901 37 L HN 0.345 nan 8.230 nan 0.000 0.433 38 A N -0.633 122.119 122.820 -0.113 0.000 1.902 38 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 38 A C 2.439 180.036 177.584 0.023 0.000 1.181 38 A CA 1.829 53.829 52.037 -0.061 0.000 0.623 38 A CB -1.116 17.825 19.000 -0.099 0.000 0.818 38 A HN 0.524 nan 8.150 nan 0.000 0.443 39 A N 0.244 123.075 122.820 0.018 0.000 1.898 39 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 39 A C 2.518 180.185 177.584 0.139 0.000 1.181 39 A CA 2.341 54.437 52.037 0.098 0.000 0.620 39 A CB -0.927 18.105 19.000 0.052 0.000 0.819 39 A HN 0.965 nan 8.150 nan 0.000 0.442 40 S N -0.487 115.253 115.700 0.066 0.000 2.387 40 S HA 0.052 4.522 4.470 -0.000 0.000 0.226 40 S C 2.040 176.685 174.600 0.075 0.000 1.026 40 S CA 1.176 59.413 58.200 0.060 0.000 0.972 40 S CB -1.081 62.135 63.200 0.028 0.000 0.814 40 S HN 0.644 nan 8.310 nan 0.000 0.477 41 G N 1.144 109.986 108.800 0.071 0.000 2.421 41 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 41 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 41 G C 1.195 176.199 174.900 0.173 0.000 1.171 41 G CA 0.883 46.031 45.100 0.080 0.000 0.775 41 G HN 0.514 nan 8.290 nan 0.000 0.543 42 F N 1.650 121.644 119.950 0.075 0.000 2.126 42 F HA -0.014 4.513 4.527 0.000 0.000 0.299 42 F C 2.506 178.403 175.800 0.162 0.000 1.096 42 F CA 1.977 60.066 58.000 0.149 0.000 1.255 42 F CB -0.226 38.833 39.000 0.099 0.000 0.997 42 F HN 0.144 nan 8.300 nan 0.000 0.479 43 K N 0.289 120.673 120.400 -0.028 0.000 2.103 43 K HA -0.207 4.113 4.320 -0.000 0.000 0.207 43 K C 2.009 178.527 176.600 -0.137 0.000 1.048 43 K CA 1.738 57.938 56.287 -0.144 0.000 0.930 43 K CB -0.050 32.453 32.500 0.005 0.000 0.716 43 K HN 0.315 nan 8.250 nan 0.000 0.444 44 K N -0.755 119.633 120.400 -0.020 0.000 2.128 44 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 44 K C 1.900 178.544 176.600 0.074 0.000 1.050 44 K CA 0.759 57.062 56.287 0.026 0.000 0.966 44 K CB -0.241 32.305 32.500 0.077 0.000 0.759 44 K HN 0.341 nan 8.250 nan 0.000 0.454 45 W N 4.881 126.120 121.300 -0.101 0.000 2.363 45 W HA -0.150 4.510 4.660 -0.000 0.000 0.296 45 W C 0.668 177.122 176.519 -0.109 0.000 1.212 45 W CA 1.085 58.396 57.345 -0.057 0.000 1.260 45 W CB 0.225 29.702 29.460 0.029 0.000 1.131 45 W HN -0.021 nan 8.180 nan 0.000 0.530 49 S N -0.175 115.421 115.700 -0.172 0.000 2.576 49 S HA 0.349 4.819 4.470 -0.000 0.000 0.276 49 S C 1.582 176.076 174.600 -0.177 0.000 1.339 49 S CA -0.185 57.933 58.200 -0.137 0.000 1.039 49 S CB 0.478 63.622 63.200 -0.093 0.000 0.902 49 S HN 0.763 nan 8.310 nan 0.000 0.516 50 V N 4.908 124.743 119.914 -0.132 0.000 2.392 50 V HA -0.188 3.932 4.120 -0.000 0.000 0.249 50 V C 2.701 178.736 176.094 -0.099 0.000 1.059 50 V CA 2.356 64.584 62.300 -0.119 0.000 1.051 50 V CB -1.459 30.328 31.823 -0.060 0.000 0.658 50 V HN 0.964 nan 8.190 nan 0.000 0.455 51 A N -0.441 122.333 122.820 -0.078 0.000 1.969 51 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 51 A C 2.173 179.725 177.584 -0.054 0.000 1.169 51 A CA 1.989 53.992 52.037 -0.056 0.000 0.635 51 A CB -0.458 18.514 19.000 -0.047 0.000 0.810 51 A HN 0.553 nan 8.150 nan 0.000 0.445 52 Q N 0.263 120.015 119.800 -0.080 0.000 2.079 52 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 52 Q C 2.102 178.065 176.000 -0.061 0.000 0.974 52 Q CA 1.862 57.626 55.803 -0.065 0.000 0.840 52 Q CB -0.320 28.363 28.738 -0.093 0.000 0.898 52 Q HN 0.664 nan 8.270 nan 0.000 0.430 53 R N -0.297 120.098 120.500 -0.175 0.000 2.096 53 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 53 R C 2.255 178.596 176.300 0.068 0.000 1.127 53 R CA 1.069 57.096 56.100 -0.122 0.000 0.968 53 R CB -0.513 29.583 30.300 -0.340 0.000 0.861 53 R HN 0.345 nan 8.270 nan 0.000 0.440 54 A N 1.054 123.886 122.820 0.019 0.000 1.933 54 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 54 A C 2.139 179.755 177.584 0.054 0.000 1.175 54 A CA 1.387 53.450 52.037 0.043 0.000 0.628 54 A CB -0.362 18.641 19.000 0.004 0.000 0.814 54 A HN 0.185 nan 8.150 nan 0.000 0.444 55 Q N -0.208 119.617 119.800 0.042 0.000 2.084 55 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 55 Q C 1.993 178.043 176.000 0.082 0.000 0.978 55 Q CA 2.489 58.321 55.803 0.049 0.000 0.844 55 Q CB -0.985 27.774 28.738 0.035 0.000 0.898 55 Q HN 0.570 nan 8.270 nan 0.000 0.426 56 T N 1.054 115.687 114.554 0.131 0.000 2.720 56 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 56 T C 1.684 176.461 174.700 0.130 0.000 1.037 56 T CA 1.426 63.629 62.100 0.172 0.000 1.144 56 T CB -0.277 68.797 68.868 0.344 0.000 0.864 56 T HN 0.242 nan 8.240 nan 0.000 0.444 57 L N 0.348 121.652 121.223 0.134 0.000 2.046 57 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 57 L C 2.909 179.828 176.870 0.083 0.000 1.077 57 L CA 1.462 56.365 54.840 0.105 0.000 0.747 57 L CB -0.533 41.601 42.059 0.126 0.000 0.896 57 L HN 0.194 nan 8.230 nan 0.000 0.432 58 R N -0.051 120.494 120.500 0.075 0.000 2.081 58 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 58 R C 1.895 178.226 176.300 0.052 0.000 1.131 58 R CA 1.503 57.638 56.100 0.059 0.000 0.960 58 R CB -0.421 29.904 30.300 0.043 0.000 0.856 58 R HN 0.388 nan 8.270 nan 0.000 0.436 59 D N 0.782 121.215 120.400 0.054 0.000 2.117 59 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 59 D C 1.931 178.255 176.300 0.040 0.000 0.987 59 D CA 1.061 55.090 54.000 0.048 0.000 0.829 59 D CB -0.183 40.649 40.800 0.054 0.000 0.961 59 D HN 0.214 nan 8.370 nan 0.000 0.460 60 I N 1.085 121.675 120.570 0.033 0.000 2.179 60 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 60 I C 2.580 178.711 176.117 0.022 0.000 1.088 60 I CA 1.412 62.716 61.300 0.007 0.000 1.357 60 I CB -0.515 37.469 38.000 -0.026 0.000 1.051 60 I HN 0.023 nan 8.210 nan 0.000 0.409 61 G N -0.166 108.659 108.800 0.041 0.000 2.440 61 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.218 61 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.218 61 G C 1.566 176.494 174.900 0.047 0.000 1.154 61 G CA 0.917 46.049 45.100 0.053 0.000 0.767 61 G HN 0.424 nan 8.290 nan 0.000 0.552 62 Q N 0.053 119.878 119.800 0.042 0.000 2.079 62 Q HA 0.051 4.391 4.340 -0.000 0.000 0.200 62 Q C 2.797 178.820 176.000 0.038 0.000 0.974 62 Q CA 1.497 57.320 55.803 0.034 0.000 0.840 62 Q CB -0.306 28.450 28.738 0.030 0.000 0.898 62 Q HN 0.409 nan 8.270 nan 0.000 0.430 63 A N 0.588 123.442 122.820 0.057 0.000 1.898 63 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 63 A C 2.029 179.703 177.584 0.150 0.000 1.181 63 A CA 1.068 53.170 52.037 0.108 0.000 0.620 63 A CB -0.661 18.398 19.000 0.098 0.000 0.819 63 A HN 0.451 nan 8.150 nan 0.000 0.442 64 L N -1.026 120.250 121.223 0.088 0.000 2.017 64 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 64 L C 2.869 179.785 176.870 0.077 0.000 1.073 64 L CA 1.472 56.363 54.840 0.085 0.000 0.745 64 L CB -0.421 41.669 42.059 0.051 0.000 0.894 64 L HN 0.350 nan 8.230 nan 0.000 0.432 65 R N -0.331 120.197 120.500 0.047 0.000 2.115 65 R HA -0.101 4.239 4.340 -0.000 0.000 0.230 65 R C 2.306 178.596 176.300 -0.017 0.000 1.111 65 R CA 1.131 57.244 56.100 0.022 0.000 0.976 65 R CB -0.384 29.926 30.300 0.018 0.000 0.870 65 R HN 0.346 nan 8.270 nan 0.000 0.445 66 A N 0.434 123.223 122.820 -0.051 0.000 2.015 66 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 66 A C 1.038 178.399 177.584 -0.372 0.000 1.163 66 A CA 1.039 52.956 52.037 -0.200 0.000 0.646 66 A CB -0.151 18.702 19.000 -0.245 0.000 0.806 66 A HN 0.311 nan 8.150 nan 0.000 0.448 67 H N -1.529 117.546 119.070 0.007 0.000 2.512 67 H HA 0.447 5.003 4.556 -0.000 0.000 0.276 67 H C 1.813 177.145 175.328 0.008 0.000 1.126 67 H CA 0.394 56.446 56.048 0.006 0.000 1.060 67 H CB 0.084 29.848 29.762 0.003 0.000 1.646 67 H HN 0.503 nan 8.280 nan 0.000 0.571 68 A N 1.122 123.982 122.820 0.066 0.000 1.883 68 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 68 A C 2.321 179.934 177.584 0.048 0.000 1.186 68 A CA 2.042 54.112 52.037 0.055 0.000 0.624 68 A CB -0.054 18.964 19.000 0.030 0.000 0.822 68 A HN 0.299 nan 8.150 nan 0.000 0.444 69 E N 0.551 120.773 120.200 0.036 0.000 2.072 69 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 69 E C 1.235 177.858 176.600 0.039 0.000 0.982 69 E CA 0.935 57.353 56.400 0.030 0.000 0.803 69 E CB -0.216 29.495 29.700 0.018 0.000 0.755 69 E HN 0.696 nan 8.360 nan 0.000 0.453 73 Q N -0.070 119.741 119.800 0.018 0.000 2.135 73 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 73 Q C 2.196 178.198 176.000 0.005 0.000 0.981 73 Q CA 1.837 57.646 55.803 0.011 0.000 0.856 73 Q CB -0.740 28.006 28.738 0.013 0.000 0.902 73 Q HN 0.775 nan 8.270 nan 0.000 0.425 74 C N 0.354 119.657 119.300 0.005 0.000 2.429 74 C HA -0.101 4.359 4.460 -0.000 0.000 0.277 74 C C 2.754 177.738 174.990 -0.009 0.000 1.262 74 C CA 0.244 59.259 59.018 -0.005 0.000 1.733 74 C CB -1.077 26.657 27.740 -0.010 0.000 2.010 74 C HN 0.453 nan 8.230 nan 0.000 0.483 75 I N 0.443 121.015 120.570 0.004 0.000 2.127 75 I HA -0.223 3.947 4.170 -0.000 0.000 0.241 75 I C 2.662 178.776 176.117 -0.006 0.000 1.075 75 I CA 2.245 63.550 61.300 0.010 0.000 1.334 75 I CB -0.852 37.168 38.000 0.033 0.000 1.040 75 I HN 0.333 nan 8.210 nan 0.000 0.405 76 T N 0.049 114.598 114.554 -0.007 0.000 2.746 76 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 76 T C 2.019 176.701 174.700 -0.031 0.000 1.039 76 T CA 1.406 63.495 62.100 -0.019 0.000 1.142 76 T CB -0.291 68.571 68.868 -0.010 0.000 0.866 76 T HN 0.285 nan 8.240 nan 0.000 0.444 77 R N 0.966 121.453 120.500 -0.023 0.000 2.081 77 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 77 R C 1.023 177.298 176.300 -0.042 0.000 1.131 77 R CA 1.073 57.157 56.100 -0.027 0.000 0.960 77 R CB 0.075 30.365 30.300 -0.016 0.000 0.856 77 R HN 0.486 nan 8.270 nan 0.000 0.436 81 K N 1.753 122.115 120.400 -0.063 0.000 2.451 81 K HA 0.305 4.625 4.320 -0.000 0.000 0.280 81 K C -2.284 174.298 176.600 -0.031 0.000 1.020 81 K CA -1.148 55.107 56.287 -0.052 0.000 1.008 81 K CB 0.560 33.024 32.500 -0.061 0.000 0.917 81 K HN -0.074 nan 8.250 nan 0.000 0.478 82 P HA -0.124 nan 4.420 nan 0.000 0.263 82 P C 0.425 177.722 177.300 -0.005 0.000 1.175 82 P CA 0.092 63.190 63.100 -0.005 0.000 0.761 82 P CB 0.399 32.099 31.700 -0.001 0.000 0.794 83 I N 4.447 125.016 120.570 -0.001 0.000 2.361 83 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 83 I C 2.044 178.162 176.117 0.001 0.000 1.133 83 I CA 1.706 63.006 61.300 0.001 0.000 1.413 83 I CB -0.428 37.573 38.000 0.002 0.000 1.073 83 I HN 0.314 nan 8.210 nan 0.000 0.424 84 K N -0.039 120.360 120.400 -0.002 0.000 2.063 84 K HA -0.242 4.078 4.320 -0.000 0.000 0.208 84 K C 2.042 178.640 176.600 -0.002 0.000 1.048 84 K CA 1.826 58.111 56.287 -0.004 0.000 0.928 84 K CB -0.124 32.371 32.500 -0.008 0.000 0.713 84 K HN 0.504 nan 8.250 nan 0.000 0.442 85 Q N -0.529 119.271 119.800 -0.000 0.000 2.187 85 Q HA -0.024 4.316 4.340 -0.000 0.000 0.199 85 Q C 2.075 178.087 176.000 0.020 0.000 0.957 85 Q CA 0.982 56.790 55.803 0.007 0.000 0.857 85 Q CB 0.032 28.772 28.738 0.004 0.000 0.929 85 Q HN 0.391 nan 8.270 nan 0.000 0.453 86 A N 1.438 124.266 122.820 0.014 0.000 1.902 86 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 86 A C 1.997 179.603 177.584 0.036 0.000 1.181 86 A CA 1.212 53.267 52.037 0.030 0.000 0.623 86 A CB -0.318 18.693 19.000 0.019 0.000 0.818 86 A HN 0.189 nan 8.150 nan 0.000 0.443 87 R N -0.442 120.071 120.500 0.021 0.000 2.081 87 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 87 R C 2.424 178.732 176.300 0.013 0.000 1.131 87 R CA 1.263 57.374 56.100 0.018 0.000 0.960 87 R CB -0.464 29.841 30.300 0.008 0.000 0.856 87 R HN 0.501 nan 8.270 nan 0.000 0.436 88 A N 0.982 123.803 122.820 0.003 0.000 1.969 88 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 88 A C 2.032 179.600 177.584 -0.026 0.000 1.169 88 A CA 1.414 53.439 52.037 -0.021 0.000 0.635 88 A CB -0.381 18.598 19.000 -0.035 0.000 0.810 88 A HN 0.434 nan 8.150 nan 0.000 0.445 89 E N -0.075 120.139 120.200 0.023 0.000 2.077 89 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 89 E C 1.794 178.445 176.600 0.085 0.000 0.989 89 E CA 1.521 57.962 56.400 0.069 0.000 0.800 89 E CB -0.116 29.700 29.700 0.194 0.000 0.746 89 E HN 0.332 nan 8.360 nan 0.000 0.452 90 V N 0.757 120.716 119.914 0.075 0.000 2.307 90 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 90 V C 2.391 178.521 176.094 0.060 0.000 1.045 90 V CA 2.123 64.470 62.300 0.078 0.000 1.024 90 V CB -0.806 31.054 31.823 0.062 0.000 0.651 90 V HN 0.374 nan 8.190 nan 0.000 0.449 91 T N -0.301 114.270 114.554 0.028 0.000 2.684 91 T HA -0.291 4.059 4.350 -0.000 0.000 0.267 91 T C 1.956 176.662 174.700 0.010 0.000 1.036 91 T CA 2.057 64.166 62.100 0.014 0.000 1.148 91 T CB -0.226 68.636 68.868 -0.010 0.000 0.863 91 T HN 0.446 nan 8.240 nan 0.000 0.436 92 K N 0.632 121.009 120.400 -0.039 0.000 2.057 92 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 92 K C 2.567 179.222 176.600 0.091 0.000 1.050 92 K CA 1.262 57.488 56.287 -0.102 0.000 0.935 92 K CB -0.102 32.159 32.500 -0.398 0.000 0.715 92 K HN 0.169 nan 8.250 nan 0.000 0.439 93 S N 0.544 116.366 115.700 0.204 0.000 2.368 93 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 93 S C 2.006 176.730 174.600 0.206 0.000 1.029 93 S CA 1.141 59.546 58.200 0.342 0.000 0.988 93 S CB -0.195 63.174 63.200 0.282 0.000 0.838 93 S HN 0.511 nan 8.310 nan 0.000 0.462 94 A N 1.549 124.451 122.820 0.136 0.000 1.930 94 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 94 A C 2.338 180.000 177.584 0.129 0.000 1.175 94 A CA 1.567 53.670 52.037 0.109 0.000 0.627 94 A CB -1.010 18.036 19.000 0.076 0.000 0.815 94 A HN 0.503 nan 8.150 nan 0.000 0.443 95 A N -0.495 122.401 122.820 0.128 0.000 1.972 95 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 95 A C 2.100 179.820 177.584 0.227 0.000 1.169 95 A CA 1.655 53.779 52.037 0.144 0.000 0.635 95 A CB -0.556 18.500 19.000 0.093 0.000 0.810 95 A HN 0.671 nan 8.150 nan 0.000 0.446 96 L N -0.273 121.107 121.223 0.263 0.000 2.083 96 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 96 L C 2.435 179.539 176.870 0.390 0.000 1.083 96 L CA 2.120 57.173 54.840 0.355 0.000 0.752 96 L CB -0.773 41.528 42.059 0.404 0.000 0.899 96 L HN 0.464 nan 8.230 nan 0.000 0.433 97 C N -0.145 119.314 119.300 0.265 0.000 2.413 97 C HA -0.164 4.296 4.460 -0.000 0.000 0.276 97 C C 2.382 177.510 174.990 0.230 0.000 1.236 97 C CA 0.951 60.099 59.018 0.217 0.000 1.735 97 C CB -1.121 26.695 27.740 0.127 0.000 2.031 97 C HN 0.590 nan 8.230 nan 0.000 0.474 98 D N -1.092 119.429 120.400 0.203 0.000 2.144 98 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 98 D C 1.723 178.129 176.300 0.177 0.000 0.978 98 D CA 1.026 55.119 54.000 0.155 0.000 0.833 98 D CB -0.390 40.485 40.800 0.125 0.000 0.961 98 D HN 0.754 nan 8.370 nan 0.000 0.470 99 W N 0.758 122.117 121.300 0.098 0.000 2.354 99 W HA -0.222 4.438 4.660 -0.000 0.000 0.315 99 W C 2.089 178.651 176.519 0.071 0.000 1.206 99 W CA 1.329 58.731 57.345 0.094 0.000 1.290 99 W CB -0.640 28.838 29.460 0.030 0.000 1.152 99 W HN -0.041 nan 8.180 nan 0.000 0.489 100 Y N 0.064 120.592 120.300 0.380 0.000 2.293 100 Y HA -0.167 4.383 4.550 -0.000 0.000 0.291 100 Y C 2.548 178.442 175.900 -0.010 0.000 1.137 100 Y CA 1.720 59.929 58.100 0.183 0.000 1.202 100 Y CB -0.924 37.686 38.460 0.251 0.000 0.990 100 Y HN 0.039 nan 8.280 nan 0.000 0.537 101 A N -0.097 122.808 122.820 0.142 0.000 1.933 101 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 101 A C 2.122 179.642 177.584 -0.106 0.000 1.175 101 A CA 1.925 53.982 52.037 0.034 0.000 0.628 101 A CB -0.569 18.455 19.000 0.041 0.000 0.814 101 A HN 0.550 nan 8.150 nan 0.000 0.444 102 E N -1.427 118.625 120.200 -0.246 0.000 2.051 102 E HA -0.180 4.170 4.350 -0.000 0.000 0.189 102 E C 1.660 177.858 176.600 -0.670 0.000 0.979 102 E CA 1.014 57.118 56.400 -0.493 0.000 0.803 102 E CB -0.139 29.154 29.700 -0.678 0.000 0.761 102 E HN 0.767 nan 8.360 nan 0.000 0.451 103 H N -1.504 117.238 119.070 -0.548 0.000 2.639 103 H HA 0.174 4.730 4.556 -0.000 0.000 0.267 103 H C 1.890 176.997 175.328 -0.368 0.000 0.958 103 H CA 0.726 56.404 56.048 -0.616 0.000 1.221 103 H CB 0.515 29.517 29.762 -1.266 0.000 1.446 103 H HN 0.287 nan 8.280 nan 0.000 0.512 104 G N 2.404 111.139 108.800 -0.107 0.000 2.421 104 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 104 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 104 G C -0.606 174.314 174.900 0.034 0.000 1.171 104 G CA 0.246 45.408 45.100 0.103 0.000 0.775 104 G HN 0.326 nan 8.290 nan 0.000 0.543 105 P HA 0.018 nan 4.420 nan 0.000 0.216 105 P C 1.375 178.664 177.300 -0.018 0.000 1.153 105 P CA 1.472 64.563 63.100 -0.014 0.000 0.858 105 P CB -0.060 31.617 31.700 -0.039 0.000 0.789 109 N N 3.016 121.758 118.700 0.070 0.000 2.479 109 N HA 0.235 4.975 4.740 -0.000 0.000 0.257 109 N C -2.208 173.388 175.510 0.144 0.000 1.232 109 N CA -0.890 52.206 53.050 0.077 0.000 0.920 109 N CB 0.358 38.866 38.487 0.034 0.000 1.105 109 N HN -0.014 nan 8.380 nan 0.000 0.444 110 P HA 0.067 nan 4.420 nan 0.000 0.269 110 P C -0.663 176.669 177.300 0.054 0.000 1.215 110 P CA 0.154 63.298 63.100 0.073 0.000 0.780 110 P CB 0.852 32.560 31.700 0.014 0.000 0.898 111 E N 2.586 122.798 120.200 0.021 0.000 2.175 111 E HA 0.305 4.655 4.350 -0.000 0.000 0.278 111 E C -2.009 174.561 176.600 -0.051 0.000 0.969 111 E CA -2.063 54.338 56.400 0.001 0.000 0.796 111 E CB 0.926 30.623 29.700 -0.004 0.000 1.104 111 E HN 0.405 nan 8.360 nan 0.000 0.395 112 P HA 0.006 nan 4.420 nan 0.000 0.272 112 P C -0.367 176.874 177.300 -0.098 0.000 1.240 112 P CA -0.178 62.877 63.100 -0.075 0.000 0.791 112 P CB 0.842 32.507 31.700 -0.059 0.000 0.978 113 T N -2.524 111.948 114.554 -0.136 0.000 2.888 113 T HA 0.418 4.768 4.350 -0.000 0.000 0.288 113 T C 1.032 175.641 174.700 -0.151 0.000 1.063 113 T CA -0.874 61.130 62.100 -0.160 0.000 1.010 113 T CB 0.566 69.286 68.868 -0.246 0.000 1.214 113 T HN 0.156 nan 8.240 nan 0.000 0.533 114 L N 0.859 121.996 121.223 -0.143 0.000 2.599 114 L HA 0.225 4.565 4.340 -0.000 0.000 0.230 114 L C 0.552 177.339 176.870 -0.137 0.000 1.141 114 L CA -0.210 54.562 54.840 -0.113 0.000 0.877 114 L CB -0.107 41.906 42.059 -0.077 0.000 1.009 114 L HN 0.466 nan 8.230 nan 0.000 0.447 115 V N 1.063 120.836 119.914 -0.236 0.000 2.673 115 V HA -0.091 4.029 4.120 -0.000 0.000 0.303 115 V C 0.793 176.793 176.094 -0.157 0.000 1.046 115 V CA -0.069 62.067 62.300 -0.274 0.000 1.126 115 V CB 0.476 31.908 31.823 -0.651 0.000 0.934 115 V HN 0.307 nan 8.190 nan 0.000 0.487 116 E N 4.542 124.702 120.200 -0.067 0.000 2.404 116 E HA 0.085 4.435 4.350 -0.000 0.000 0.261 116 E C 0.545 177.129 176.600 -0.028 0.000 1.074 116 E CA -0.018 56.364 56.400 -0.031 0.000 0.917 116 E CB 0.046 29.750 29.700 0.007 0.000 0.965 116 E HN 0.711 nan 8.360 nan 0.000 0.433 117 N N 2.378 121.064 118.700 -0.023 0.000 2.747 117 N HA -0.224 4.516 4.740 -0.000 0.000 0.249 117 N C -0.778 174.716 175.510 -0.027 0.000 1.107 117 N CA 1.101 54.142 53.050 -0.014 0.000 0.707 117 N CB -1.131 37.361 38.487 0.008 0.000 1.054 117 N HN 0.580 nan 8.380 nan 0.000 0.555 118 Q N -1.970 117.797 119.800 -0.055 0.000 2.481 118 Q HA -0.243 4.097 4.340 -0.000 0.000 0.272 118 Q C 0.894 176.851 176.000 -0.072 0.000 1.157 118 Q CA 1.267 57.029 55.803 -0.068 0.000 0.935 118 Q CB -1.156 27.556 28.738 -0.043 0.000 1.338 118 Q HN 0.508 nan 8.270 nan 0.000 0.494 119 Q N -1.491 118.253 119.800 -0.093 0.000 2.389 119 Q HA 0.332 4.672 4.340 -0.000 0.000 0.204 119 Q C 0.262 176.168 176.000 -0.156 0.000 0.944 119 Q CA 1.195 56.967 55.803 -0.052 0.000 0.908 119 Q CB 0.712 29.490 28.738 0.068 0.000 1.002 119 Q HN 0.497 nan 8.270 nan 0.000 0.493 120 A N 0.569 123.183 122.820 -0.343 0.000 2.393 120 A HA 0.643 4.963 4.320 -0.000 0.000 0.306 120 A C -0.465 176.962 177.584 -0.262 0.000 1.050 120 A CA -0.646 51.143 52.037 -0.413 0.000 0.724 120 A CB 1.547 19.973 19.000 -0.957 0.000 1.248 120 A HN -0.000 nan 8.150 nan 0.000 0.424 121 V N -0.212 119.602 119.914 -0.167 0.000 3.040 121 V HA 0.782 4.902 4.120 -0.000 0.000 0.312 121 V C -0.898 175.116 176.094 -0.133 0.000 1.115 121 V CA -1.064 61.157 62.300 -0.132 0.000 0.998 121 V CB 1.832 33.605 31.823 -0.083 0.000 1.042 121 V HN 0.635 nan 8.190 nan 0.000 0.433 122 I N 2.288 122.766 120.570 -0.154 0.000 2.354 122 I HA 0.593 4.763 4.170 -0.000 0.000 0.292 122 I C 0.137 176.095 176.117 -0.265 0.000 0.989 122 I CA -0.278 60.885 61.300 -0.229 0.000 1.188 122 I CB 1.147 38.966 38.000 -0.301 0.000 1.342 122 I HN 0.778 nan 8.210 nan 0.000 0.457 123 E N 5.382 125.429 120.200 -0.255 0.000 2.202 123 E HA 0.349 4.699 4.350 -0.000 0.000 0.272 123 E C -1.371 175.045 176.600 -0.306 0.000 0.951 123 E CA -0.651 55.642 56.400 -0.178 0.000 0.813 123 E CB 2.088 31.750 29.700 -0.064 0.000 1.151 123 E HN 0.300 nan 8.360 nan 0.000 0.398 124 Y N 1.923 122.210 120.300 -0.022 0.000 2.593 124 Y HA 0.222 4.772 4.550 -0.000 0.000 0.331 124 Y C 0.510 176.437 175.900 0.044 0.000 0.986 124 Y CA -0.620 57.476 58.100 -0.006 0.000 1.262 124 Y CB 0.646 39.099 38.460 -0.013 0.000 1.098 124 Y HN 0.010 nan 8.280 nan 0.000 0.506 125 R N 3.741 124.329 120.500 0.148 0.000 2.573 125 R HA 0.473 4.813 4.340 -0.000 0.000 0.272 125 R C -2.697 173.725 176.300 0.202 0.000 1.009 125 R CA -2.351 53.837 56.100 0.146 0.000 1.059 125 R CB 0.405 30.768 30.300 0.106 0.000 1.112 125 R HN 0.327 nan 8.270 nan 0.000 0.517 126 P HA 0.148 nan 4.420 nan 0.000 0.274 126 P C 0.429 177.904 177.300 0.292 0.000 1.246 126 P CA -0.284 63.006 63.100 0.317 0.000 0.795 126 P CB 0.902 32.888 31.700 0.476 0.000 1.006 127 L N -0.139 121.203 121.223 0.199 0.000 2.221 127 L HA 0.254 4.594 4.340 -0.000 0.000 0.202 127 L C 1.529 178.290 176.870 -0.182 0.000 1.074 127 L CA 1.577 56.464 54.840 0.078 0.000 0.795 127 L CB -0.456 41.665 42.059 0.103 0.000 0.960 127 L HN 0.720 nan 8.230 nan 0.000 0.458 128 G N -1.102 107.348 108.800 -0.584 0.000 2.366 128 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.190 128 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.190 128 G C -1.359 173.011 174.900 -0.882 0.000 1.299 128 G CA -0.491 43.739 45.100 -1.450 0.000 1.056 128 G HN -0.246 nan 8.290 nan 0.000 0.468 129 V N 2.087 121.668 119.914 -0.555 0.000 2.461 129 V HA 0.494 4.614 4.120 -0.000 0.000 0.275 129 V C 0.110 176.054 176.094 -0.251 0.000 1.047 129 V CA -0.488 61.633 62.300 -0.298 0.000 0.955 129 V CB 1.216 32.916 31.823 -0.206 0.000 0.988 129 V HN 0.497 nan 8.190 nan 0.000 0.471 130 I N 5.771 126.187 120.570 -0.257 0.000 2.339 130 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 130 I C -0.182 175.689 176.117 -0.410 0.000 0.994 130 I CA -0.784 60.307 61.300 -0.348 0.000 1.191 130 I CB 1.274 38.973 38.000 -0.502 0.000 1.343 130 I HN 0.439 nan 8.210 nan 0.000 0.458 131 L N 6.593 127.611 121.223 -0.342 0.000 2.305 131 L HA 0.670 5.010 4.340 -0.000 0.000 0.281 131 L C 0.075 176.710 176.870 -0.393 0.000 1.085 131 L CA 0.126 54.763 54.840 -0.339 0.000 0.813 131 L CB 0.982 42.915 42.059 -0.211 0.000 1.157 131 L HN 0.736 nan 8.230 nan 0.000 0.436 132 A N 5.971 128.497 122.820 -0.491 0.000 2.331 132 A HA 0.810 5.130 4.320 -0.000 0.000 0.320 132 A C -0.725 176.719 177.584 -0.234 0.000 1.138 132 A CA -0.492 51.291 52.037 -0.423 0.000 0.790 132 A CB 0.698 19.264 19.000 -0.724 0.000 1.206 132 A HN 0.679 nan 8.150 nan 0.000 0.470 136 W N 0.975 122.377 121.300 0.170 0.000 3.139 136 W HA 0.023 4.683 4.660 -0.000 0.000 0.260 136 W C 0.814 177.384 176.519 0.085 0.000 1.312 136 W CA 0.690 58.092 57.345 0.094 0.000 1.606 136 W CB -0.966 28.510 29.460 0.027 0.000 1.118 136 W HN 0.365 nan 8.180 nan 0.000 0.675 137 N N 1.941 120.466 118.700 -0.292 0.000 2.270 137 N HA -0.169 4.571 4.740 -0.000 0.000 0.181 137 N C -0.272 175.057 175.510 -0.301 0.000 1.016 137 N CA 0.759 53.678 53.050 -0.219 0.000 0.870 137 N CB -1.085 37.156 38.487 -0.410 0.000 0.979 137 N HN 0.079 nan 8.380 nan 0.000 0.431 138 F N 0.046 120.075 119.950 0.131 0.000 2.686 138 F HA 0.431 4.958 4.527 -0.000 0.000 0.365 138 F C -1.821 174.106 175.800 0.212 0.000 1.196 138 F CA -2.098 56.016 58.000 0.190 0.000 1.198 138 F CB 2.232 41.397 39.000 0.274 0.000 1.454 138 F HN -0.159 nan 8.300 nan 0.000 0.539 139 P HA -0.164 nan 4.420 nan 0.000 0.220 139 P C 1.576 179.089 177.300 0.355 0.000 1.148 139 P CA 0.983 64.279 63.100 0.326 0.000 0.803 139 P CB 0.610 32.385 31.700 0.125 0.000 0.782 140 L N -1.986 119.404 121.223 0.278 0.000 2.262 140 L HA 0.201 4.540 4.340 -0.000 0.000 0.197 140 L C 2.213 179.208 176.870 0.208 0.000 1.073 140 L CA 0.963 55.927 54.840 0.208 0.000 0.800 140 L CB -1.384 40.779 42.059 0.174 0.000 0.987 140 L HN -0.030 nan 8.230 nan 0.000 0.470 141 W N 0.506 121.872 121.300 0.110 0.000 2.338 141 W HA -0.212 4.448 4.660 -0.000 0.000 0.304 141 W C 1.961 178.470 176.519 -0.017 0.000 1.212 141 W CA 1.466 58.823 57.345 0.019 0.000 1.264 141 W CB -0.028 29.410 29.460 -0.037 0.000 1.142 141 W HN 0.321 nan 8.180 nan 0.000 0.512 142 Q N 0.468 120.233 119.800 -0.058 0.000 2.084 142 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 142 Q C 2.306 178.176 176.000 -0.217 0.000 0.978 142 Q CA 1.791 57.479 55.803 -0.191 0.000 0.844 142 Q CB -1.014 27.757 28.738 0.056 0.000 0.898 142 Q HN 0.297 nan 8.270 nan 0.000 0.426 143 V N 0.894 120.736 119.914 -0.121 0.000 2.270 143 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 143 V C 2.347 178.288 176.094 -0.254 0.000 1.043 143 V CA 1.402 63.637 62.300 -0.108 0.000 1.014 143 V CB -0.566 31.233 31.823 -0.041 0.000 0.645 143 V HN 0.187 nan 8.190 nan 0.000 0.447 144 L N -0.160 120.897 121.223 -0.277 0.000 2.141 144 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 144 L C 2.540 179.153 176.870 -0.428 0.000 1.094 144 L CA 1.803 56.452 54.840 -0.319 0.000 0.763 144 L CB -0.934 41.021 42.059 -0.173 0.000 0.908 144 L HN 0.280 nan 8.230 nan 0.000 0.437 145 R N -0.481 119.598 120.500 -0.702 0.000 2.117 145 R HA -0.182 4.158 4.340 -0.000 0.000 0.243 145 R C 2.065 178.140 176.300 -0.375 0.000 1.143 145 R CA 1.772 57.386 56.100 -0.811 0.000 0.968 145 R CB -0.503 29.087 30.300 -1.183 0.000 0.863 145 R HN 0.417 nan 8.270 nan 0.000 0.444 146 G N -0.961 107.674 108.800 -0.275 0.000 2.490 146 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.211 146 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.211 146 G C 1.458 176.253 174.900 -0.176 0.000 1.159 146 G CA 0.353 45.390 45.100 -0.105 0.000 0.819 146 G HN 0.419 nan 8.290 nan 0.000 0.539 147 A N 0.487 123.045 122.820 -0.436 0.000 1.933 147 A HA 0.100 4.420 4.320 -0.000 0.000 0.218 147 A C 2.558 179.937 177.584 -0.342 0.000 1.175 147 A CA 1.728 53.334 52.037 -0.718 0.000 0.628 147 A CB -0.629 17.648 19.000 -1.205 0.000 0.814 147 A HN 0.219 nan 8.150 nan 0.000 0.444 148 V N 1.153 120.890 119.914 -0.295 0.000 2.233 148 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 148 V C -0.009 175.907 176.094 -0.297 0.000 1.050 148 V CA 2.597 64.765 62.300 -0.221 0.000 1.010 148 V CB -1.499 30.243 31.823 -0.135 0.000 0.637 148 V HN 0.471 nan 8.190 nan 0.000 0.444 149 P HA -0.104 nan 4.420 nan 0.000 0.219 149 P C 1.868 179.117 177.300 -0.085 0.000 1.150 149 P CA 1.499 64.315 63.100 -0.472 0.000 0.814 149 P CB -0.021 31.344 31.700 -0.559 0.000 0.787 150 I N -0.414 120.153 120.570 -0.006 0.000 2.163 150 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 150 I C 2.649 178.878 176.117 0.187 0.000 1.085 150 I CA 1.405 62.778 61.300 0.123 0.000 1.347 150 I CB -0.649 37.417 38.000 0.110 0.000 1.044 150 I HN -0.140 nan 8.210 nan 0.000 0.408 151 L N -0.326 120.994 121.223 0.162 0.000 2.046 151 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 151 L C 2.588 179.727 176.870 0.449 0.000 1.077 151 L CA 0.996 56.054 54.840 0.365 0.000 0.747 151 L CB -0.569 41.639 42.059 0.248 0.000 0.896 151 L HN 0.297 nan 8.230 nan 0.000 0.432 152 L N 0.543 121.894 121.223 0.212 0.000 2.083 152 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 152 L C 2.524 179.461 176.870 0.112 0.000 1.083 152 L CA 1.854 56.775 54.840 0.135 0.000 0.752 152 L CB -0.649 41.448 42.059 0.063 0.000 0.899 152 L HN 0.145 nan 8.230 nan 0.000 0.433 153 A N -1.125 121.788 122.820 0.155 0.000 2.216 153 A HA 0.283 4.603 4.320 -0.000 0.000 0.214 153 A C 1.779 179.479 177.584 0.192 0.000 1.160 153 A CA 0.924 53.067 52.037 0.177 0.000 0.725 153 A CB -0.912 18.224 19.000 0.227 0.000 0.784 153 A HN 0.873 nan 8.150 nan 0.000 0.472 154 G N -1.257 107.678 108.800 0.224 0.000 2.163 154 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.213 154 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.213 154 G C -0.096 175.179 174.900 0.625 0.000 0.991 154 G CA 0.076 45.290 45.100 0.190 0.000 0.653 154 G HN 0.639 nan 8.290 nan 0.000 0.518 155 N N 0.185 119.242 118.700 0.595 0.000 2.463 155 N HA 0.620 5.360 4.740 -0.000 0.000 0.270 155 N C 0.237 176.029 175.510 0.469 0.000 1.205 155 N CA -0.018 53.333 53.050 0.501 0.000 0.974 155 N CB 0.916 39.541 38.487 0.230 0.000 1.197 155 N HN 0.146 nan 8.380 nan 0.000 0.504 156 S N 0.100 115.959 115.700 0.266 0.000 2.646 156 S HA 0.281 4.751 4.470 -0.000 0.000 0.276 156 S C -1.218 173.414 174.600 0.053 0.000 1.222 156 S CA -0.429 57.824 58.200 0.090 0.000 1.014 156 S CB 0.477 63.712 63.200 0.057 0.000 0.991 156 S HN 0.463 nan 8.310 nan 0.000 0.533 157 Y N 1.883 122.109 120.300 -0.124 0.000 2.338 157 Y HA 0.621 5.171 4.550 0.000 0.000 0.333 157 Y C -1.383 174.366 175.900 -0.251 0.000 0.968 157 Y CA -1.023 56.981 58.100 -0.160 0.000 1.123 157 Y CB 0.930 39.347 38.460 -0.071 0.000 1.165 157 Y HN 0.486 nan 8.280 nan 0.000 0.452 158 L N 8.070 129.000 121.223 -0.487 0.000 2.342 158 L HA 0.553 4.893 4.340 -0.000 0.000 0.276 158 L C -2.103 174.478 176.870 -0.480 0.000 0.997 158 L CA -0.785 53.820 54.840 -0.391 0.000 0.838 158 L CB 1.287 43.186 42.059 -0.268 0.000 1.224 158 L HN 0.697 nan 8.230 nan 0.000 0.416 159 L N 5.223 126.251 121.223 -0.325 0.000 2.295 159 L HA 0.569 4.909 4.340 -0.000 0.000 0.285 159 L C -0.618 176.282 176.870 0.051 0.000 1.035 159 L CA 0.007 54.738 54.840 -0.182 0.000 0.806 159 L CB 0.840 42.919 42.059 0.033 0.000 1.214 159 L HN 0.602 nan 8.230 nan 0.000 0.426 160 K N 4.773 125.193 120.400 0.033 0.000 2.367 160 K HA 0.275 4.595 4.320 -0.000 0.000 0.263 160 K C -1.174 175.565 176.600 0.232 0.000 1.000 160 K CA -0.374 56.019 56.287 0.176 0.000 0.891 160 K CB 0.464 33.012 32.500 0.080 0.000 1.117 160 K HN 0.925 nan 8.250 nan 0.000 0.443 161 H N 0.987 120.236 119.070 0.298 0.000 2.499 161 H HA 0.463 5.019 4.556 -0.000 0.000 0.352 161 H C -0.175 175.292 175.328 0.232 0.000 1.237 161 H CA -0.573 55.602 56.048 0.211 0.000 1.343 161 H CB 1.466 31.300 29.762 0.121 0.000 1.578 161 H HN 0.759 nan 8.280 nan 0.000 0.577 162 A N 2.766 125.896 122.820 0.517 0.000 2.511 162 A HA 0.061 4.381 4.320 -0.000 0.000 0.242 162 A C -1.639 176.099 177.584 0.257 0.000 1.069 162 A CA -0.990 51.255 52.037 0.347 0.000 0.763 162 A CB -0.069 19.173 19.000 0.404 0.000 1.001 162 A HN 0.700 nan 8.150 nan 0.000 0.498 163 P HA -0.108 nan 4.420 nan 0.000 0.234 163 P C 0.467 177.826 177.300 0.099 0.000 1.167 163 P CA 0.873 64.111 63.100 0.230 0.000 0.763 163 P CB 0.014 31.912 31.700 0.330 0.000 0.835 164 N N 0.458 119.208 118.700 0.082 0.000 2.412 164 N HA -0.018 4.722 4.740 -0.000 0.000 0.184 164 N C 0.905 176.395 175.510 -0.033 0.000 1.101 164 N CA 0.494 53.543 53.050 -0.002 0.000 0.881 164 N CB -0.472 37.972 38.487 -0.072 0.000 0.969 164 N HN 0.133 nan 8.380 nan 0.000 0.459 165 V N -2.047 117.836 119.914 -0.052 0.000 2.854 165 V HA 0.297 4.417 4.120 -0.000 0.000 0.366 165 V C 1.474 177.443 176.094 -0.209 0.000 1.322 165 V CA 0.101 62.309 62.300 -0.152 0.000 1.243 165 V CB -0.604 31.081 31.823 -0.230 0.000 1.337 165 V HN 0.188 nan 8.190 nan 0.000 0.585 166 T N -2.404 112.098 114.554 -0.088 0.000 2.915 166 T HA -0.028 4.322 4.350 -0.000 0.000 0.269 166 T C 1.970 176.596 174.700 -0.122 0.000 1.071 166 T CA 1.697 63.758 62.100 -0.066 0.000 1.132 166 T CB -0.438 68.533 68.868 0.172 0.000 0.878 166 T HN 0.687 nan 8.240 nan 0.000 0.479 167 G N 0.545 109.297 108.800 -0.081 0.000 2.421 167 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 167 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 167 G C 1.852 176.684 174.900 -0.112 0.000 1.171 167 G CA 0.940 46.000 45.100 -0.066 0.000 0.775 167 G HN 0.613 nan 8.290 nan 0.000 0.543 168 C N 0.981 120.199 119.300 -0.136 0.000 2.413 168 C HA 0.087 4.547 4.460 -0.000 0.000 0.276 168 C C 3.565 178.442 174.990 -0.189 0.000 1.236 168 C CA 0.989 59.930 59.018 -0.129 0.000 1.735 168 C CB -1.056 26.613 27.740 -0.120 0.000 2.031 168 C HN 0.580 nan 8.230 nan 0.000 0.474 169 A N -0.155 122.460 122.820 -0.341 0.000 1.908 169 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 169 A C 1.418 178.557 177.584 -0.742 0.000 1.181 169 A CA 1.293 52.957 52.037 -0.622 0.000 0.627 169 A CB -0.566 17.715 19.000 -1.198 0.000 0.818 169 A HN 0.786 nan 8.150 nan 0.000 0.445 173 A N 1.469 124.302 122.820 0.021 0.000 1.908 173 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 173 A C 2.191 179.826 177.584 0.084 0.000 1.181 173 A CA 2.003 54.155 52.037 0.192 0.000 0.627 173 A CB -0.583 18.627 19.000 0.350 0.000 0.818 173 A HN 0.327 nan 8.150 nan 0.000 0.445 174 R N -0.696 119.818 120.500 0.024 0.000 2.094 174 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 174 R C 2.090 178.346 176.300 -0.075 0.000 1.137 174 R CA 1.909 57.995 56.100 -0.024 0.000 0.943 174 R CB -0.555 29.698 30.300 -0.077 0.000 0.850 174 R HN 0.622 nan 8.270 nan 0.000 0.433 175 I N 0.606 121.101 120.570 -0.125 0.000 2.179 175 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 175 I C 2.076 178.147 176.117 -0.076 0.000 1.088 175 I CA 1.069 62.296 61.300 -0.123 0.000 1.357 175 I CB -0.218 37.715 38.000 -0.111 0.000 1.051 175 I HN 0.115 nan 8.210 nan 0.000 0.409 176 L N 0.614 121.763 121.223 -0.123 0.000 2.131 176 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 176 L C 2.609 179.453 176.870 -0.044 0.000 1.092 176 L CA 1.901 56.656 54.840 -0.142 0.000 0.759 176 L CB -0.958 40.893 42.059 -0.348 0.000 0.903 176 L HN 0.193 nan 8.230 nan 0.000 0.435 177 A N -0.883 121.938 122.820 0.001 0.000 1.897 177 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 177 A C 2.326 179.925 177.584 0.025 0.000 1.181 177 A CA 1.488 53.544 52.037 0.032 0.000 0.620 177 A CB -0.542 18.492 19.000 0.057 0.000 0.821 177 A HN 0.486 nan 8.150 nan 0.000 0.443 178 E N 0.199 120.408 120.200 0.016 0.000 2.118 178 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 178 E C 1.853 178.479 176.600 0.043 0.000 0.992 178 E CA 1.091 57.513 56.400 0.037 0.000 0.804 178 E CB -0.253 29.480 29.700 0.054 0.000 0.741 178 E HN 0.519 nan 8.360 nan 0.000 0.458 179 A N 0.067 122.904 122.820 0.029 0.000 2.168 179 A HA 0.132 4.452 4.320 -0.000 0.000 0.215 179 A C 1.793 179.399 177.584 0.037 0.000 1.152 179 A CA 1.141 53.197 52.037 0.032 0.000 0.716 179 A CB -0.526 18.482 19.000 0.013 0.000 0.794 179 A HN 0.559 nan 8.150 nan 0.000 0.465 180 G N -1.651 107.169 108.800 0.034 0.000 2.141 180 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.231 180 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.231 180 G C 0.269 175.192 174.900 0.039 0.000 0.984 180 G CA 0.222 45.348 45.100 0.044 0.000 0.660 180 G HN 0.628 nan 8.290 nan 0.000 0.525 181 T N 2.840 117.398 114.554 0.006 0.000 2.867 181 T HA 0.405 4.755 4.350 -0.000 0.000 0.297 181 T C -1.609 173.061 174.700 -0.050 0.000 0.989 181 T CA 0.006 62.075 62.100 -0.052 0.000 1.159 181 T CB 1.092 69.910 68.868 -0.083 0.000 0.928 181 T HN 0.201 nan 8.240 nan 0.000 0.538 182 P HA 0.239 nan 4.420 nan 0.000 0.267 182 P C -0.465 176.809 177.300 -0.044 0.000 1.200 182 P CA -0.412 62.670 63.100 -0.030 0.000 0.772 182 P CB 0.332 32.039 31.700 0.011 0.000 0.855 183 A N 2.649 125.471 122.820 0.005 0.000 2.567 183 A HA 0.381 4.701 4.320 -0.000 0.000 0.240 183 A C 1.632 179.205 177.584 -0.018 0.000 1.053 183 A CA 0.880 52.925 52.037 0.013 0.000 0.755 183 A CB -1.391 17.629 19.000 0.034 0.000 0.978 183 A HN 0.891 nan 8.150 nan 0.000 0.507 184 G N 1.075 109.857 108.800 -0.030 0.000 2.284 184 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.247 184 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.247 184 G C 1.040 175.891 174.900 -0.081 0.000 1.012 184 G CA 0.706 45.770 45.100 -0.060 0.000 0.618 184 G HN 1.259 nan 8.290 nan 0.000 0.521 185 V N -0.506 119.322 119.914 -0.144 0.000 2.358 185 V HA 0.165 4.285 4.120 -0.000 0.000 0.246 185 V C 1.171 177.174 176.094 -0.153 0.000 1.047 185 V CA 2.084 64.193 62.300 -0.317 0.000 1.035 185 V CB -0.242 31.098 31.823 -0.804 0.000 0.658 185 V HN 0.578 nan 8.190 nan 0.000 0.452 186 Y N -0.309 119.893 120.300 -0.165 0.000 2.376 186 Y HA 0.686 5.236 4.550 0.000 0.000 0.340 186 Y C 0.039 175.967 175.900 0.046 0.000 0.965 186 Y CA -0.196 57.889 58.100 -0.025 0.000 1.078 186 Y CB 1.558 39.983 38.460 -0.058 0.000 1.193 186 Y HN 0.082 nan 8.280 nan 0.000 0.452 187 G N 4.379 112.845 108.800 -0.556 0.000 2.649 187 G HA2 0.526 4.486 3.960 -0.000 0.000 0.290 187 G HA3 0.526 4.486 3.960 -0.000 0.000 0.290 187 G C -2.274 172.472 174.900 -0.257 0.000 1.426 187 G CA -0.722 44.216 45.100 -0.270 0.000 0.794 187 G HN 0.837 nan 8.290 nan 0.000 0.483 188 W N -0.737 120.424 121.300 -0.230 0.000 3.137 188 W HA 0.761 5.421 4.660 -0.000 0.000 0.324 188 W C -2.435 174.059 176.519 -0.042 0.000 1.253 188 W CA -1.416 55.843 57.345 -0.144 0.000 1.183 188 W CB 1.057 30.491 29.460 -0.043 0.000 1.424 188 W HN 0.966 nan 8.180 nan 0.000 0.566 189 V N 2.820 122.527 119.914 -0.345 0.000 2.808 189 V HA 0.296 4.416 4.120 -0.000 0.000 0.308 189 V C -0.982 174.891 176.094 -0.368 0.000 1.099 189 V CA -0.620 61.346 62.300 -0.556 0.000 0.920 189 V CB 2.057 33.721 31.823 -0.264 0.000 1.014 189 V HN 0.615 nan 8.190 nan 0.000 0.425 190 N N 4.893 123.315 118.700 -0.463 0.000 3.178 190 N HA 0.434 5.174 4.740 -0.000 0.000 0.300 190 N C 0.039 175.689 175.510 0.232 0.000 1.242 190 N CA 0.498 53.558 53.050 0.017 0.000 1.192 190 N CB 0.302 38.803 38.487 0.023 0.000 1.463 190 N HN 0.912 nan 8.380 nan 0.000 0.539 191 A N 1.780 124.680 122.820 0.134 0.000 2.354 191 A HA 0.325 4.645 4.320 -0.000 0.000 0.269 191 A C 0.580 178.099 177.584 -0.109 0.000 1.109 191 A CA -0.738 51.321 52.037 0.036 0.000 0.800 191 A CB 0.181 19.154 19.000 -0.044 0.000 1.045 191 A HN 0.764 nan 8.150 nan 0.000 0.489 192 N N 1.874 120.302 118.700 -0.453 0.000 2.366 192 N HA 0.055 4.795 4.740 -0.000 0.000 0.277 192 N C 0.435 175.651 175.510 -0.491 0.000 1.275 192 N CA -0.435 52.004 53.050 -1.019 0.000 0.964 192 N CB -0.018 37.572 38.487 -1.494 0.000 1.167 192 N HN 0.494 nan 8.380 nan 0.000 0.568 193 N N -0.120 118.320 118.700 -0.434 0.000 2.094 193 N HA -0.218 4.522 4.740 -0.000 0.000 0.191 193 N C 1.196 176.599 175.510 -0.179 0.000 1.023 193 N CA 1.226 54.136 53.050 -0.232 0.000 0.857 193 N CB -0.360 38.022 38.487 -0.175 0.000 1.013 193 N HN 0.803 nan 8.380 nan 0.000 0.426 194 E N 0.110 120.192 120.200 -0.196 0.000 2.077 194 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 194 E C 1.948 178.475 176.600 -0.120 0.000 0.989 194 E CA 1.216 57.534 56.400 -0.136 0.000 0.800 194 E CB -0.260 29.362 29.700 -0.129 0.000 0.746 194 E HN 0.390 nan 8.360 nan 0.000 0.452 195 G N 0.360 109.072 108.800 -0.147 0.000 2.408 195 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 195 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 195 G C 1.641 176.483 174.900 -0.097 0.000 1.150 195 G CA 0.829 45.862 45.100 -0.111 0.000 0.776 195 G HN 0.222 nan 8.290 nan 0.000 0.542 196 V N 1.177 121.027 119.914 -0.107 0.000 2.295 196 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 196 V C 3.128 179.177 176.094 -0.075 0.000 1.049 196 V CA 2.242 64.490 62.300 -0.086 0.000 1.024 196 V CB -0.582 31.192 31.823 -0.081 0.000 0.648 196 V HN 0.363 nan 8.190 nan 0.000 0.447 197 S N -1.128 114.527 115.700 -0.074 0.000 2.370 197 S HA -0.204 4.266 4.470 -0.000 0.000 0.226 197 S C 1.258 175.826 174.600 -0.054 0.000 1.033 197 S CA 1.020 59.185 58.200 -0.058 0.000 1.011 197 S CB -0.276 62.890 63.200 -0.057 0.000 0.852 197 S HN 0.725 nan 8.310 nan 0.000 0.457 201 N N 1.270 119.949 118.700 -0.035 0.000 2.398 201 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 201 N C 0.202 175.695 175.510 -0.028 0.000 1.122 201 N CA 0.224 53.258 53.050 -0.027 0.000 0.866 201 N CB 0.401 38.872 38.487 -0.025 0.000 0.970 201 N HN 0.254 nan 8.380 nan 0.000 0.462 202 D N 0.752 121.131 120.400 -0.035 0.000 2.264 202 D HA 0.068 4.708 4.640 -0.000 0.000 0.250 202 D C -1.567 174.713 176.300 -0.033 0.000 1.113 202 D CA -2.114 51.865 54.000 -0.034 0.000 0.871 202 D CB 1.656 42.431 40.800 -0.043 0.000 1.167 202 D HN 0.030 nan 8.370 nan 0.000 0.447 203 P HA -0.091 nan 4.420 nan 0.000 0.225 203 P C 0.985 178.268 177.300 -0.029 0.000 1.148 203 P CA 0.646 63.734 63.100 -0.020 0.000 0.779 203 P CB 0.345 32.039 31.700 -0.009 0.000 0.780 204 R N -0.963 119.516 120.500 -0.036 0.000 2.237 204 R HA 0.042 4.382 4.340 -0.000 0.000 0.219 204 R C 0.782 177.030 176.300 -0.087 0.000 1.080 204 R CA 0.385 56.455 56.100 -0.049 0.000 0.995 204 R CB -0.194 30.080 30.300 -0.042 0.000 0.875 204 R HN 0.176 nan 8.270 nan 0.000 0.462 205 I N 0.606 121.126 120.570 -0.083 0.000 2.325 205 I HA 0.087 4.257 4.170 -0.000 0.000 0.291 205 I C 1.072 177.137 176.117 -0.088 0.000 1.019 205 I CA -0.123 61.114 61.300 -0.105 0.000 1.302 205 I CB 1.077 39.019 38.000 -0.097 0.000 1.401 205 I HN 0.061 nan 8.210 nan 0.000 0.485 206 A N 5.513 128.267 122.820 -0.110 0.000 1.984 206 A HA 0.608 4.928 4.320 -0.000 0.000 0.214 206 A C 0.978 178.562 177.584 -0.000 0.000 1.173 206 A CA 1.010 53.008 52.037 -0.065 0.000 0.673 206 A CB 0.217 19.154 19.000 -0.105 0.000 0.830 206 A HN 0.778 nan 8.150 nan 0.000 0.453 207 A N -2.212 120.604 122.820 -0.007 0.000 2.564 207 A HA 0.618 4.938 4.320 -0.000 0.000 0.291 207 A C -1.522 176.057 177.584 -0.008 0.000 1.102 207 A CA -0.247 51.843 52.037 0.088 0.000 0.660 207 A CB 0.615 19.801 19.000 0.310 0.000 1.283 207 A HN 0.601 nan 8.150 nan 0.000 0.430 208 V N -0.037 119.924 119.914 0.079 0.000 2.841 208 V HA 0.797 4.917 4.120 -0.000 0.000 0.310 208 V C -0.276 175.841 176.094 0.037 0.000 1.090 208 V CA -0.308 61.974 62.300 -0.029 0.000 0.930 208 V CB 1.986 33.808 31.823 -0.002 0.000 1.014 208 V HN 1.121 nan 8.190 nan 0.000 0.425 209 T N 3.106 117.604 114.554 -0.093 0.000 2.861 209 T HA 0.766 5.116 4.350 -0.000 0.000 0.287 209 T C -1.378 173.303 174.700 -0.033 0.000 1.003 209 T CA -0.302 61.809 62.100 0.018 0.000 0.977 209 T CB 1.426 70.293 68.868 -0.002 0.000 0.996 209 T HN 0.463 nan 8.240 nan 0.000 0.448 210 V N 4.451 124.358 119.914 -0.012 0.000 2.638 210 V HA 0.609 4.729 4.120 -0.000 0.000 0.306 210 V C -0.211 175.866 176.094 -0.029 0.000 1.052 210 V CA -0.764 61.513 62.300 -0.037 0.000 0.885 210 V CB 2.292 34.084 31.823 -0.052 0.000 0.999 210 V HN 1.022 nan 8.190 nan 0.000 0.424 211 T N 3.394 117.934 114.554 -0.023 0.000 2.840 211 T HA 0.852 5.202 4.350 -0.000 0.000 0.287 211 T C 0.292 174.970 174.700 -0.037 0.000 0.991 211 T CA 0.163 62.256 62.100 -0.011 0.000 0.964 211 T CB 1.557 70.432 68.868 0.013 0.000 0.954 211 T HN 1.272 nan 8.240 nan 0.000 0.438 212 G N 1.984 110.749 108.800 -0.058 0.000 2.452 212 G HA2 0.453 4.412 3.960 -0.000 0.000 0.224 212 G HA3 0.453 4.412 3.960 -0.000 0.000 0.224 212 G C -0.597 174.228 174.900 -0.124 0.000 1.208 212 G CA -0.223 44.811 45.100 -0.110 0.000 0.946 212 G HN 0.924 nan 8.290 nan 0.000 0.481 213 S N -0.530 115.097 115.700 -0.121 0.000 2.632 213 S HA 0.482 4.952 4.470 -0.000 0.000 0.267 213 S C 1.460 176.037 174.600 -0.039 0.000 1.276 213 S CA 0.237 58.375 58.200 -0.104 0.000 0.998 213 S CB 1.561 64.707 63.200 -0.089 0.000 0.953 213 S HN 1.148 nan 8.310 nan 0.000 0.547 214 V N 2.161 122.079 119.914 0.007 0.000 2.332 214 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 214 V C 2.904 178.999 176.094 0.001 0.000 1.055 214 V CA 2.124 64.439 62.300 0.025 0.000 1.038 214 V CB -1.024 30.846 31.823 0.079 0.000 0.651 214 V HN 0.828 nan 8.190 nan 0.000 0.450 215 R N -0.148 120.354 120.500 0.004 0.000 2.081 215 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 215 R C 2.460 178.757 176.300 -0.005 0.000 1.131 215 R CA 1.469 57.571 56.100 0.002 0.000 0.960 215 R CB -0.608 29.698 30.300 0.009 0.000 0.856 215 R HN 0.542 nan 8.270 nan 0.000 0.436 216 A N 0.719 123.533 122.820 -0.010 0.000 1.877 216 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 216 A C 2.403 179.973 177.584 -0.023 0.000 1.186 216 A CA 1.833 53.861 52.037 -0.014 0.000 0.620 216 A CB -1.276 17.715 19.000 -0.015 0.000 0.822 216 A HN 0.478 nan 8.150 nan 0.000 0.443 217 G N -0.555 108.225 108.800 -0.034 0.000 2.440 217 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.218 217 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.218 217 G C 1.737 176.619 174.900 -0.031 0.000 1.154 217 G CA 1.597 46.666 45.100 -0.051 0.000 0.767 217 G HN 0.838 nan 8.290 nan 0.000 0.552 218 A N 1.010 123.822 122.820 -0.014 0.000 1.898 218 A HA 0.335 4.655 4.320 -0.000 0.000 0.216 218 A C 2.807 180.396 177.584 0.007 0.000 1.181 218 A CA 2.143 54.183 52.037 0.004 0.000 0.620 218 A CB -0.715 18.287 19.000 0.003 0.000 0.819 218 A HN 0.751 nan 8.150 nan 0.000 0.442 219 A N -0.043 122.775 122.820 -0.002 0.000 1.873 219 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 219 A C 2.121 179.702 177.584 -0.004 0.000 1.186 219 A CA 1.551 53.585 52.037 -0.004 0.000 0.616 219 A CB -0.571 18.423 19.000 -0.010 0.000 0.823 219 A HN 0.476 nan 8.150 nan 0.000 0.442 220 I N -0.417 120.148 120.570 -0.008 0.000 2.286 220 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 220 I C 2.703 178.828 176.117 0.013 0.000 1.104 220 I CA 0.974 62.269 61.300 -0.007 0.000 1.397 220 I CB -0.588 37.401 38.000 -0.019 0.000 1.072 220 I HN 0.385 nan 8.210 nan 0.000 0.417 221 G N 0.655 109.471 108.800 0.026 0.000 2.440 221 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 221 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 221 G C 1.867 176.811 174.900 0.074 0.000 1.154 221 G CA 0.890 46.036 45.100 0.077 0.000 0.767 221 G HN 0.484 nan 8.290 nan 0.000 0.552 222 A N 0.504 123.352 122.820 0.046 0.000 1.902 222 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 222 A C 2.364 179.961 177.584 0.022 0.000 1.181 222 A CA 1.973 54.029 52.037 0.033 0.000 0.623 222 A CB -0.433 18.578 19.000 0.019 0.000 0.818 222 A HN 0.483 nan 8.150 nan 0.000 0.443 223 Q N -0.634 119.175 119.800 0.014 0.000 2.079 223 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 223 Q C 2.433 178.440 176.000 0.012 0.000 0.974 223 Q CA 1.251 57.057 55.803 0.005 0.000 0.840 223 Q CB -0.387 28.346 28.738 -0.008 0.000 0.898 223 Q HN 0.671 nan 8.270 nan 0.000 0.430 224 A N 1.304 124.139 122.820 0.025 0.000 1.877 224 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 224 A C 2.346 179.955 177.584 0.041 0.000 1.186 224 A CA 1.618 53.676 52.037 0.036 0.000 0.620 224 A CB -1.342 17.695 19.000 0.062 0.000 0.822 224 A HN 0.464 nan 8.150 nan 0.000 0.443 225 G N -0.330 108.500 108.800 0.049 0.000 2.476 225 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.218 225 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.218 225 G C 1.758 176.670 174.900 0.019 0.000 1.164 225 G CA 1.677 46.798 45.100 0.036 0.000 0.768 225 G HN 0.885 nan 8.290 nan 0.000 0.560 226 A N 0.753 123.582 122.820 0.015 0.000 1.978 226 A HA 0.308 4.628 4.320 -0.000 0.000 0.220 226 A C 2.522 180.108 177.584 0.005 0.000 1.170 226 A CA 2.117 54.158 52.037 0.007 0.000 0.636 226 A CB -0.425 18.576 19.000 0.003 0.000 0.810 226 A HN 0.922 nan 8.150 nan 0.000 0.448 227 A N -1.304 121.520 122.820 0.007 0.000 2.307 227 A HA 0.526 4.846 4.320 -0.000 0.000 0.218 227 A C 0.878 178.467 177.584 0.008 0.000 1.228 227 A CA 0.250 52.290 52.037 0.004 0.000 0.857 227 A CB -0.629 18.371 19.000 -0.000 0.000 0.897 227 A HN 0.836 nan 8.150 nan 0.000 0.495 228 L N -1.394 119.836 121.223 0.013 0.000 3.717 228 L HA -0.224 4.116 4.340 -0.000 0.000 0.411 228 L C -0.383 176.501 176.870 0.024 0.000 1.233 228 L CA 0.693 55.541 54.840 0.014 0.000 0.917 228 L CB -1.820 40.245 42.059 0.009 0.000 1.902 228 L HN 0.409 nan 8.230 nan 0.000 0.894 229 K N 0.609 121.030 120.400 0.034 0.000 2.270 229 K HA 0.497 4.817 4.320 -0.000 0.000 0.255 229 K C 0.031 176.681 176.600 0.084 0.000 0.936 229 K CA -0.904 55.415 56.287 0.052 0.000 0.809 229 K CB 2.487 35.011 32.500 0.040 0.000 1.131 229 K HN 0.023 nan 8.250 nan 0.000 0.427 230 K N 2.108 122.573 120.400 0.108 0.000 2.355 230 K HA 0.181 4.501 4.320 -0.000 0.000 0.270 230 K C -0.567 176.171 176.600 0.230 0.000 1.003 230 K CA -0.304 56.067 56.287 0.141 0.000 0.957 230 K CB 0.383 32.952 32.500 0.114 0.000 0.939 230 K HN 0.827 nan 8.250 nan 0.000 0.482 231 C N 0.275 119.738 119.300 0.271 0.000 3.090 231 C HA 0.694 5.154 4.460 -0.000 0.000 0.305 231 C C -0.836 174.343 174.990 0.314 0.000 1.292 231 C CA -1.107 58.096 59.018 0.309 0.000 1.482 231 C CB 0.766 28.631 27.740 0.208 0.000 1.897 231 C HN 0.477 nan 8.230 nan 0.000 0.469 232 V N 2.413 122.477 119.914 0.250 0.000 2.417 232 V HA 0.544 4.664 4.120 -0.000 0.000 0.291 232 V C -0.347 175.695 176.094 -0.088 0.000 1.024 232 V CA -0.270 62.092 62.300 0.103 0.000 0.861 232 V CB 1.510 33.460 31.823 0.211 0.000 0.985 232 V HN 0.800 nan 8.190 nan 0.000 0.436 233 L N 5.096 126.077 121.223 -0.402 0.000 2.316 233 L HA 0.590 4.930 4.340 -0.000 0.000 0.280 233 L C -0.181 176.540 176.870 -0.248 0.000 1.006 233 L CA -0.405 54.206 54.840 -0.382 0.000 0.836 233 L CB 1.631 43.300 42.059 -0.650 0.000 1.221 233 L HN 0.524 nan 8.230 nan 0.000 0.418 234 E N 5.741 125.880 120.200 -0.101 0.000 2.121 234 E HA 0.455 4.805 4.350 -0.000 0.000 0.255 234 E C -0.533 176.059 176.600 -0.012 0.000 0.906 234 E CA -0.193 56.192 56.400 -0.025 0.000 0.745 234 E CB 1.931 31.683 29.700 0.088 0.000 1.155 234 E HN 0.527 nan 8.360 nan 0.000 0.424 235 L N -0.038 121.168 121.223 -0.029 0.000 2.693 235 L HA 0.593 4.933 4.340 -0.000 0.000 0.253 235 L C 1.259 178.147 176.870 0.031 0.000 1.155 235 L CA -1.204 53.632 54.840 -0.008 0.000 1.026 235 L CB 0.166 42.218 42.059 -0.012 0.000 1.817 235 L HN 0.367 nan 8.230 nan 0.000 0.556 236 G N -1.329 107.498 108.800 0.045 0.000 2.684 236 G HA2 0.460 4.420 3.960 -0.000 0.000 0.255 236 G HA3 0.460 4.420 3.960 -0.000 0.000 0.255 236 G C -0.378 174.502 174.900 -0.033 0.000 1.219 236 G CA 0.303 45.394 45.100 -0.016 0.000 0.901 236 G HN 0.777 nan 8.290 nan 0.000 0.548 237 G N -2.262 106.395 108.800 -0.239 0.000 2.694 237 G HA2 0.483 4.443 3.960 -0.000 0.000 0.290 237 G HA3 0.483 4.443 3.960 -0.000 0.000 0.290 237 G C -0.795 173.761 174.900 -0.573 0.000 1.386 237 G CA 0.178 45.109 45.100 -0.281 0.000 0.872 237 G HN 1.081 nan 8.290 nan 0.000 0.475 238 S N 0.344 115.792 115.700 -0.420 0.000 2.359 238 S HA 0.303 4.773 4.470 -0.000 0.000 0.148 238 S C -1.082 173.381 174.600 -0.228 0.000 1.610 238 S CA -0.621 57.358 58.200 -0.368 0.000 1.274 238 S CB -0.258 62.715 63.200 -0.379 0.000 1.380 238 S HN 0.434 nan 8.310 nan 0.000 0.380 239 D N 4.749 125.039 120.400 -0.184 0.000 2.458 239 D HA 0.229 4.869 4.640 -0.000 0.000 0.243 239 D C -2.123 174.066 176.300 -0.186 0.000 1.146 239 D CA -0.860 53.060 54.000 -0.132 0.000 0.877 239 D CB 0.885 41.643 40.800 -0.069 0.000 1.176 239 D HN 0.336 nan 8.370 nan 0.000 0.461 240 P HA 0.230 nan 4.420 nan 0.000 0.278 240 P C -0.964 176.302 177.300 -0.057 0.000 1.238 240 P CA -0.524 62.487 63.100 -0.149 0.000 0.794 240 P CB 0.563 32.200 31.700 -0.105 0.000 0.955 241 F N 3.583 123.379 119.950 -0.258 0.000 2.610 241 F HA 0.470 4.997 4.527 -0.000 0.000 0.355 241 F C -0.651 175.119 175.800 -0.051 0.000 1.140 241 F CA -0.964 56.964 58.000 -0.119 0.000 1.037 241 F CB 0.633 39.511 39.000 -0.204 0.000 1.287 241 F HN 0.093 nan 8.300 nan 0.000 0.457 242 I N 6.640 127.211 120.570 0.001 0.000 2.342 242 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 242 I C -0.831 175.305 176.117 0.031 0.000 1.010 242 I CA -0.870 60.436 61.300 0.010 0.000 1.308 242 I CB 1.508 39.492 38.000 -0.028 0.000 1.400 242 I HN 0.224 nan 8.210 nan 0.000 0.488 243 V N 7.541 127.461 119.914 0.010 0.000 2.407 243 V HA 0.412 4.532 4.120 -0.000 0.000 0.291 243 V C 0.123 176.220 176.094 0.004 0.000 1.018 243 V CA -0.550 61.761 62.300 0.018 0.000 0.842 243 V CB 1.495 33.236 31.823 -0.137 0.000 0.996 243 V HN 0.509 nan 8.190 nan 0.000 0.426 244 L N 3.090 124.344 121.223 0.051 0.000 2.416 244 L HA 0.509 4.849 4.340 -0.000 0.000 0.262 244 L C 1.379 178.282 176.870 0.054 0.000 1.093 244 L CA -0.769 54.095 54.840 0.041 0.000 0.801 244 L CB 0.840 42.922 42.059 0.038 0.000 1.191 244 L HN 0.490 nan 8.230 nan 0.000 0.459 245 N N 1.123 119.850 118.700 0.046 0.000 2.205 245 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 245 N C 0.867 176.413 175.510 0.061 0.000 1.015 245 N CA 1.280 54.361 53.050 0.052 0.000 0.862 245 N CB -0.290 38.223 38.487 0.043 0.000 0.986 245 N HN 0.642 nan 8.380 nan 0.000 0.429 246 D N -0.697 119.740 120.400 0.061 0.000 2.325 246 D HA 0.154 4.794 4.640 -0.000 0.000 0.225 246 D C 0.291 176.644 176.300 0.089 0.000 1.096 246 D CA -0.274 53.764 54.000 0.065 0.000 0.844 246 D CB -0.436 40.394 40.800 0.049 0.000 0.925 246 D HN 0.089 nan 8.370 nan 0.000 0.513 247 A N 0.535 123.426 122.820 0.118 0.000 2.406 247 A HA 0.175 4.495 4.320 -0.000 0.000 0.243 247 A C 0.335 178.023 177.584 0.173 0.000 1.082 247 A CA -0.316 51.831 52.037 0.183 0.000 0.786 247 A CB 0.189 19.329 19.000 0.234 0.000 1.029 247 A HN 0.165 nan 8.150 nan 0.000 0.495 248 D N 1.502 122.037 120.400 0.225 0.000 2.359 248 D HA 0.078 4.718 4.640 -0.000 0.000 0.250 248 D C 0.949 177.342 176.300 0.155 0.000 1.264 248 D CA -0.314 53.795 54.000 0.182 0.000 0.911 248 D CB 0.408 41.333 40.800 0.209 0.000 1.056 248 D HN 0.369 nan 8.370 nan 0.000 0.499 249 L N 4.743 126.035 121.223 0.115 0.000 2.012 249 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 249 L C 1.975 178.880 176.870 0.057 0.000 1.073 249 L CA 1.943 56.845 54.840 0.103 0.000 0.748 249 L CB -0.564 41.555 42.059 0.100 0.000 0.891 249 L HN 0.422 nan 8.230 nan 0.000 0.431 250 E N -0.627 119.600 120.200 0.045 0.000 2.077 250 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 250 E C 2.061 178.667 176.600 0.011 0.000 0.989 250 E CA 1.515 57.924 56.400 0.016 0.000 0.800 250 E CB -0.535 29.180 29.700 0.025 0.000 0.746 250 E HN 0.427 nan 8.360 nan 0.000 0.452 251 L N 0.219 121.474 121.223 0.055 0.000 2.046 251 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 251 L C 2.181 178.953 176.870 -0.164 0.000 1.077 251 L CA 2.160 57.052 54.840 0.087 0.000 0.747 251 L CB -1.053 41.168 42.059 0.270 0.000 0.896 251 L HN 0.184 nan 8.230 nan 0.000 0.432 252 A N -1.113 121.457 122.820 -0.417 0.000 1.908 252 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 252 A C 2.263 179.727 177.584 -0.199 0.000 1.181 252 A CA 2.166 53.670 52.037 -0.888 0.000 0.627 252 A CB -1.145 17.556 19.000 -0.498 0.000 0.818 252 A HN 0.309 nan 8.150 nan 0.000 0.445 253 V N 0.447 120.313 119.914 -0.079 0.000 2.343 253 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 253 V C 2.518 178.523 176.094 -0.148 0.000 1.051 253 V CA 2.117 64.334 62.300 -0.140 0.000 1.036 253 V CB -0.606 31.080 31.823 -0.228 0.000 0.654 253 V HN 0.444 nan 8.190 nan 0.000 0.451 254 K N 0.595 120.937 120.400 -0.097 0.000 2.057 254 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 254 K C 2.295 178.864 176.600 -0.053 0.000 1.049 254 K CA 1.642 57.913 56.287 -0.027 0.000 0.931 254 K CB -0.763 31.796 32.500 0.098 0.000 0.714 254 K HN 0.479 nan 8.250 nan 0.000 0.440 255 A N 1.477 124.150 122.820 -0.244 0.000 1.930 255 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 255 A C 2.427 179.982 177.584 -0.048 0.000 1.175 255 A CA 1.826 53.581 52.037 -0.471 0.000 0.627 255 A CB -0.508 18.258 19.000 -0.391 0.000 0.815 255 A HN 0.298 nan 8.150 nan 0.000 0.443 256 A N -0.463 122.260 122.820 -0.162 0.000 1.877 256 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 256 A C 2.234 179.824 177.584 0.010 0.000 1.186 256 A CA 1.836 53.627 52.037 -0.410 0.000 0.620 256 A CB -0.959 17.762 19.000 -0.466 0.000 0.822 256 A HN 0.373 nan 8.150 nan 0.000 0.443 257 V N -0.147 119.726 119.914 -0.069 0.000 2.295 257 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 257 V C 3.072 179.238 176.094 0.120 0.000 1.049 257 V CA 1.962 64.212 62.300 -0.083 0.000 1.024 257 V CB -1.266 30.383 31.823 -0.290 0.000 0.648 257 V HN 0.619 nan 8.190 nan 0.000 0.447 258 A N 0.518 123.409 122.820 0.118 0.000 1.902 258 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 258 A C 2.420 180.104 177.584 0.166 0.000 1.181 258 A CA 2.020 54.168 52.037 0.185 0.000 0.623 258 A CB -1.266 17.935 19.000 0.336 0.000 0.818 258 A HN 0.534 nan 8.150 nan 0.000 0.443 259 G N -0.608 108.289 108.800 0.162 0.000 2.418 259 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 259 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 259 G C 1.728 176.672 174.900 0.072 0.000 1.158 259 G CA 1.316 46.503 45.100 0.145 0.000 0.771 259 G HN 0.542 nan 8.290 nan 0.000 0.545 260 R N -0.501 120.032 120.500 0.055 0.000 2.075 260 R HA 0.069 4.409 4.340 -0.000 0.000 0.226 260 R C 1.787 177.892 176.300 -0.325 0.000 1.114 260 R CA 1.050 57.051 56.100 -0.164 0.000 0.972 260 R CB -0.593 29.548 30.300 -0.264 0.000 0.869 260 R HN 0.421 nan 8.270 nan 0.000 0.437 261 Y N 1.360 121.697 120.300 0.063 0.000 2.457 261 Y HA 0.213 4.763 4.550 -0.000 0.000 0.263 261 Y C 0.082 175.982 175.900 -0.001 0.000 1.164 261 Y CA -0.330 57.779 58.100 0.014 0.000 1.274 261 Y CB -0.252 38.193 38.460 -0.025 0.000 1.097 261 Y HN 0.181 nan 8.280 nan 0.000 0.523 262 Q N 0.504 120.373 119.800 0.114 0.000 2.349 262 Q HA -0.068 4.272 4.340 -0.000 0.000 0.287 262 Q C 0.246 176.262 176.000 0.027 0.000 1.044 262 Q CA 0.236 56.085 55.803 0.077 0.000 0.918 262 Q CB 0.138 28.927 28.738 0.085 0.000 1.242 262 Q HN 0.233 nan 8.270 nan 0.000 0.405 263 N N 0.795 119.493 118.700 -0.003 0.000 2.716 263 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 263 N C -0.999 174.474 175.510 -0.061 0.000 1.033 263 N CA 1.369 54.370 53.050 -0.082 0.000 0.727 263 N CB -1.552 36.805 38.487 -0.217 0.000 0.950 263 N HN 0.891 nan 8.380 nan 0.000 0.541 264 T N -1.728 112.830 114.554 0.007 0.000 3.996 264 T HA -0.125 4.225 4.350 -0.000 0.000 0.348 264 T C 1.341 176.046 174.700 0.009 0.000 0.757 264 T CA 1.853 63.980 62.100 0.045 0.000 1.898 264 T CB -1.962 66.918 68.868 0.020 0.000 1.861 264 T HN 1.610 nan 8.240 nan 0.000 0.821 265 G N 0.198 108.977 108.800 -0.035 0.000 2.184 265 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.264 265 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.264 265 G C 0.051 174.713 174.900 -0.396 0.000 0.975 265 G CA 0.535 45.541 45.100 -0.157 0.000 0.642 265 G HN 0.717 nan 8.290 nan 0.000 0.536 266 Q N 0.299 119.833 119.800 -0.444 0.000 3.247 266 Q HA 0.508 4.848 4.340 -0.000 0.000 0.326 266 Q C -0.376 175.145 176.000 -0.798 0.000 1.402 266 Q CA -0.091 55.136 55.803 -0.960 0.000 0.994 266 Q CB 1.000 29.586 28.738 -0.254 0.000 1.647 266 Q HN 0.294 nan 8.270 nan 0.000 0.523 267 V N -0.273 119.244 119.914 -0.661 0.000 2.686 267 V HA 0.072 4.192 4.120 -0.000 0.000 0.306 267 V C 0.649 176.813 176.094 0.116 0.000 1.065 267 V CA -0.778 61.503 62.300 -0.031 0.000 0.894 267 V CB 1.709 33.590 31.823 0.095 0.000 1.004 267 V HN 0.665 nan 8.190 nan 0.000 0.424 268 C N 2.862 122.381 119.300 0.365 0.000 2.425 268 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 268 C C 2.184 177.275 174.990 0.168 0.000 1.280 268 C CA 1.320 60.532 59.018 0.322 0.000 1.744 268 C CB -0.725 27.176 27.740 0.268 0.000 1.989 268 C HN 0.986 nan 8.230 nan 0.000 0.491 269 A N 0.162 123.102 122.820 0.199 0.000 2.532 269 A HA 0.621 4.941 4.320 -0.000 0.000 0.273 269 A C 0.883 178.507 177.584 0.067 0.000 1.342 269 A CA 0.424 52.546 52.037 0.141 0.000 0.929 269 A CB -0.546 18.617 19.000 0.273 0.000 1.051 269 A HN 0.502 nan 8.150 nan 0.000 0.521 270 A N 0.121 122.955 122.820 0.024 0.000 2.466 270 A HA 0.519 4.839 4.320 -0.000 0.000 0.238 270 A C 0.864 178.414 177.584 -0.056 0.000 1.074 270 A CA 0.307 52.330 52.037 -0.024 0.000 0.774 270 A CB -0.046 18.898 19.000 -0.093 0.000 1.015 270 A HN 1.473 nan 8.150 nan 0.000 0.498 271 A N 1.432 124.227 122.820 -0.042 0.000 2.444 271 A HA 0.424 4.744 4.320 -0.000 0.000 0.273 271 A C 0.847 178.206 177.584 -0.375 0.000 1.136 271 A CA -0.037 51.905 52.037 -0.158 0.000 0.799 271 A CB -0.009 18.980 19.000 -0.018 0.000 1.081 271 A HN 0.851 nan 8.150 nan 0.000 0.509 272 K N 1.762 121.892 120.400 -0.451 0.000 2.424 272 K HA 0.115 4.434 4.320 -0.000 0.000 0.198 272 K C 0.103 176.423 176.600 -0.467 0.000 1.190 272 K CA 0.351 56.410 56.287 -0.380 0.000 0.935 272 K CB 0.698 33.048 32.500 -0.249 0.000 1.087 272 K HN 0.647 nan 8.250 nan 0.000 0.524 273 R N 1.272 121.428 120.500 -0.573 0.000 2.310 273 R HA 0.288 4.628 4.340 -0.000 0.000 0.316 273 R C -1.300 174.707 176.300 -0.488 0.000 1.004 273 R CA -0.453 55.389 56.100 -0.429 0.000 0.900 273 R CB 0.632 30.671 30.300 -0.436 0.000 1.152 273 R HN -0.115 nan 8.270 nan 0.000 0.513 274 F N 3.884 123.779 119.950 -0.093 0.000 2.424 274 F HA 0.350 4.877 4.527 -0.000 0.000 0.356 274 F C 0.630 176.369 175.800 -0.101 0.000 1.110 274 F CA -0.435 57.492 58.000 -0.123 0.000 1.161 274 F CB 0.734 39.575 39.000 -0.264 0.000 1.115 274 F HN 0.252 nan 8.300 nan 0.000 0.507 275 I N 5.246 125.837 120.570 0.034 0.000 2.390 275 I HA 0.351 4.521 4.170 -0.000 0.000 0.283 275 I C -0.908 175.170 176.117 -0.064 0.000 1.016 275 I CA -0.897 60.401 61.300 -0.002 0.000 1.151 275 I CB 1.141 39.144 38.000 0.004 0.000 1.293 275 I HN 0.309 nan 8.210 nan 0.000 0.458 276 V N 2.057 121.912 119.914 -0.098 0.000 2.495 276 V HA 0.503 4.623 4.120 -0.000 0.000 0.298 276 V C -0.084 175.975 176.094 -0.057 0.000 1.031 276 V CA -0.834 61.378 62.300 -0.146 0.000 0.871 276 V CB 1.656 33.312 31.823 -0.279 0.000 0.988 276 V HN 0.743 nan 8.190 nan 0.000 0.432 277 E N 2.314 122.495 120.200 -0.033 0.000 2.413 277 E HA 0.008 4.358 4.350 -0.000 0.000 0.263 277 E C 1.038 177.651 176.600 0.022 0.000 1.015 277 E CA 0.469 56.874 56.400 0.008 0.000 0.916 277 E CB 0.931 30.642 29.700 0.020 0.000 0.947 277 E HN 0.948 nan 8.360 nan 0.000 0.440 278 E N 2.841 123.064 120.200 0.038 0.000 2.114 278 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 278 E C 1.652 178.277 176.600 0.041 0.000 1.008 278 E CA 1.625 58.050 56.400 0.042 0.000 0.810 278 E CB -0.249 29.479 29.700 0.047 0.000 0.739 278 E HN 0.818 nan 8.360 nan 0.000 0.456 279 G N 0.760 109.584 108.800 0.040 0.000 2.422 279 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 279 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 279 G C 1.509 176.439 174.900 0.050 0.000 1.146 279 G CA 0.761 45.886 45.100 0.041 0.000 0.769 279 G HN 0.401 nan 8.290 nan 0.000 0.547 280 I N 0.215 120.819 120.570 0.056 0.000 4.018 280 I HA 0.337 4.507 4.170 -0.000 0.000 0.337 280 I C 2.653 178.834 176.117 0.106 0.000 1.327 280 I CA 0.529 61.877 61.300 0.079 0.000 1.100 280 I CB 0.250 38.299 38.000 0.081 0.000 1.025 280 I HN 0.180 nan 8.210 nan 0.000 0.396 281 A N 0.612 123.480 122.820 0.079 0.000 1.892 281 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 281 A C 2.156 179.822 177.584 0.137 0.000 1.188 281 A CA 2.214 54.309 52.037 0.096 0.000 0.631 281 A CB -0.563 18.472 19.000 0.059 0.000 0.822 281 A HN 0.511 nan 8.150 nan 0.000 0.447 282 Q N -0.532 119.326 119.800 0.096 0.000 2.079 282 Q HA 0.053 4.393 4.340 -0.000 0.000 0.200 282 Q C 2.074 178.124 176.000 0.084 0.000 0.974 282 Q CA 1.967 57.819 55.803 0.081 0.000 0.840 282 Q CB -0.575 28.195 28.738 0.054 0.000 0.898 282 Q HN 0.564 nan 8.270 nan 0.000 0.430 283 A N -0.355 122.520 122.820 0.091 0.000 1.902 283 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 283 A C 2.004 179.639 177.584 0.086 0.000 1.181 283 A CA 1.375 53.456 52.037 0.074 0.000 0.623 283 A CB -1.025 18.020 19.000 0.076 0.000 0.818 283 A HN 0.570 nan 8.150 nan 0.000 0.443 284 F N 1.409 121.361 119.950 0.003 0.000 2.102 284 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 284 F C 2.464 178.261 175.800 -0.005 0.000 1.105 284 F CA 2.398 60.392 58.000 -0.009 0.000 1.239 284 F CB -0.635 38.352 39.000 -0.022 0.000 0.991 284 F HN 0.210 nan 8.300 nan 0.000 0.474 285 T N 0.193 114.824 114.554 0.128 0.000 2.708 285 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 285 T C 1.446 176.125 174.700 -0.035 0.000 1.037 285 T CA 1.644 63.764 62.100 0.033 0.000 1.146 285 T CB -0.472 68.456 68.868 0.101 0.000 0.865 285 T HN 0.268 nan 8.240 nan 0.000 0.435 286 D N 0.936 121.323 120.400 -0.021 0.000 2.104 286 D HA -0.059 4.581 4.640 -0.000 0.000 0.194 286 D C 2.421 178.672 176.300 -0.081 0.000 0.994 286 D CA 1.059 55.038 54.000 -0.034 0.000 0.830 286 D CB -0.208 40.581 40.800 -0.018 0.000 0.959 286 D HN 0.351 nan 8.370 nan 0.000 0.452 287 R N -0.625 119.798 120.500 -0.128 0.000 2.073 287 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 287 R C 2.341 178.492 176.300 -0.248 0.000 1.120 287 R CA 0.438 56.434 56.100 -0.174 0.000 0.967 287 R CB -0.470 29.726 30.300 -0.174 0.000 0.862 287 R HN 0.181 nan 8.270 nan 0.000 0.436 288 F N 1.365 120.993 119.950 -0.537 0.000 2.095 288 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 288 F C 2.145 177.751 175.800 -0.325 0.000 1.104 288 F CA 1.393 59.048 58.000 -0.576 0.000 1.232 288 F CB -0.190 38.262 39.000 -0.912 0.000 0.987 288 F HN -0.282 nan 8.300 nan 0.000 0.475 289 V N 0.475 120.387 119.914 -0.003 0.000 2.287 289 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 289 V C 2.699 178.707 176.094 -0.143 0.000 1.053 289 V CA 1.855 64.141 62.300 -0.023 0.000 1.027 289 V CB -1.562 30.274 31.823 0.022 0.000 0.646 289 V HN 0.500 nan 8.190 nan 0.000 0.447 290 A N -0.067 122.666 122.820 -0.147 0.000 1.902 290 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 290 A C 2.422 179.883 177.584 -0.206 0.000 1.181 290 A CA 2.234 54.181 52.037 -0.150 0.000 0.623 290 A CB -0.821 18.106 19.000 -0.121 0.000 0.818 290 A HN 0.585 nan 8.150 nan 0.000 0.443 291 A N -0.277 122.377 122.820 -0.276 0.000 1.898 291 A HA 0.196 4.516 4.320 -0.000 0.000 0.216 291 A C 2.492 179.843 177.584 -0.389 0.000 1.181 291 A CA 1.998 53.846 52.037 -0.314 0.000 0.620 291 A CB -0.972 17.816 19.000 -0.353 0.000 0.819 291 A HN 1.064 nan 8.150 nan 0.000 0.442 292 A N -0.198 122.315 122.820 -0.513 0.000 1.933 292 A HA 0.193 4.513 4.320 -0.000 0.000 0.218 292 A C 2.428 179.768 177.584 -0.407 0.000 1.175 292 A CA 1.900 53.580 52.037 -0.595 0.000 0.628 292 A CB -0.848 17.793 19.000 -0.599 0.000 0.814 292 A HN 1.030 nan 8.150 nan 0.000 0.444 293 A N -0.461 122.196 122.820 -0.272 0.000 2.014 293 A HA 0.291 4.611 4.320 -0.000 0.000 0.218 293 A C 2.286 179.760 177.584 -0.183 0.000 1.163 293 A CA 1.601 53.523 52.037 -0.192 0.000 0.652 293 A CB -0.631 18.287 19.000 -0.137 0.000 0.808 293 A HN 0.985 nan 8.150 nan 0.000 0.449 294 A N -0.581 122.121 122.820 -0.196 0.000 2.169 294 A HA 0.361 4.681 4.320 -0.000 0.000 0.212 294 A C 0.927 178.410 177.584 -0.168 0.000 1.153 294 A CA -0.185 51.755 52.037 -0.162 0.000 0.756 294 A CB -0.411 18.502 19.000 -0.146 0.000 0.813 294 A HN 0.433 nan 8.150 nan 0.000 0.471 295 L N 1.059 122.149 121.223 -0.221 0.000 2.525 295 L HA 0.021 4.361 4.340 -0.000 0.000 0.278 295 L C 0.507 177.282 176.870 -0.159 0.000 1.218 295 L CA 0.261 54.976 54.840 -0.208 0.000 0.878 295 L CB 0.341 42.215 42.059 -0.308 0.000 1.127 295 L HN 0.310 nan 8.230 nan 0.000 0.492 299 D N 1.579 122.017 120.400 0.062 0.000 2.570 299 D HA 0.096 4.736 4.640 -0.000 0.000 0.243 299 D C -0.710 175.639 176.300 0.081 0.000 1.171 299 D CA -0.964 53.101 54.000 0.108 0.000 0.879 299 D CB 1.402 42.227 40.800 0.042 0.000 1.143 299 D HN 0.067 nan 8.370 nan 0.000 0.511 300 P HA -0.061 nan 4.420 nan 0.000 0.237 300 P C 1.463 178.774 177.300 0.019 0.000 1.178 300 P CA 0.406 63.529 63.100 0.040 0.000 0.766 300 P CB 0.225 31.934 31.700 0.015 0.000 0.876 301 L N -0.894 120.341 121.223 0.020 0.000 2.552 301 L HA 0.042 4.382 4.340 -0.000 0.000 0.227 301 L C 0.745 177.619 176.870 0.006 0.000 1.146 301 L CA 0.284 55.131 54.840 0.011 0.000 0.858 301 L CB -0.171 41.895 42.059 0.011 0.000 0.969 301 L HN -0.224 nan 8.230 nan 0.000 0.451 302 V N 0.280 120.198 119.914 0.006 0.000 2.348 302 V HA 0.071 4.191 4.120 -0.000 0.000 0.270 302 V C 1.014 177.106 176.094 -0.005 0.000 1.037 302 V CA -0.339 61.960 62.300 -0.002 0.000 0.872 302 V CB 1.248 33.067 31.823 -0.007 0.000 1.002 302 V HN 0.235 nan 8.190 nan 0.000 0.464 303 E N 2.930 123.126 120.200 -0.007 0.000 2.130 303 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 303 E C 1.905 178.497 176.600 -0.013 0.000 0.998 303 E CA 1.706 58.100 56.400 -0.009 0.000 0.806 303 E CB 0.139 29.834 29.700 -0.010 0.000 0.738 303 E HN 0.944 nan 8.360 nan 0.000 0.459 304 E N 0.857 121.046 120.200 -0.018 0.000 2.482 304 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 304 E C 0.047 176.630 176.600 -0.028 0.000 1.047 304 E CA 0.086 56.472 56.400 -0.024 0.000 0.869 304 E CB 0.025 29.708 29.700 -0.028 0.000 0.836 304 E HN 0.045 nan 8.360 nan 0.000 0.520 305 N N 2.087 120.775 118.700 -0.021 0.000 2.497 305 N HA 0.002 4.742 4.740 -0.000 0.000 0.271 305 N C -0.012 175.489 175.510 -0.016 0.000 1.142 305 N CA 0.016 53.054 53.050 -0.021 0.000 0.965 305 N CB 1.289 39.773 38.487 -0.005 0.000 1.077 305 N HN 0.175 nan 8.380 nan 0.000 0.462 306 D N 1.334 121.717 120.400 -0.028 0.000 2.271 306 D HA 0.071 4.711 4.640 -0.000 0.000 0.206 306 D C 0.280 176.577 176.300 -0.004 0.000 0.967 306 D CA 0.795 54.781 54.000 -0.024 0.000 0.867 306 D CB 0.865 41.633 40.800 -0.053 0.000 0.960 306 D HN 0.360 nan 8.370 nan 0.000 0.509 307 L N 0.349 121.575 121.223 0.005 0.000 2.386 307 L HA 0.540 4.880 4.340 -0.000 0.000 0.271 307 L C 0.658 177.580 176.870 0.087 0.000 0.993 307 L CA -0.826 54.037 54.840 0.039 0.000 0.819 307 L CB 2.500 44.577 42.059 0.030 0.000 1.294 307 L HN -0.155 nan 8.230 nan 0.000 0.414 308 G N 1.866 110.708 108.800 0.071 0.000 2.795 308 G HA2 0.708 4.668 3.960 -0.000 0.000 0.267 308 G HA3 0.708 4.668 3.960 -0.000 0.000 0.267 308 G C -2.753 172.129 174.900 -0.030 0.000 1.362 308 G CA -1.117 44.026 45.100 0.073 0.000 1.048 308 G HN 0.331 nan 8.290 nan 0.000 0.547 312 R N -0.767 119.371 120.500 -0.603 0.000 2.561 312 R HA 0.595 4.935 4.340 -0.000 0.000 0.297 312 R C -0.130 176.012 176.300 -0.264 0.000 0.969 312 R CA -0.733 55.131 56.100 -0.393 0.000 0.879 312 R CB 0.989 31.083 30.300 -0.342 0.000 1.178 312 R HN 0.239 nan 8.270 nan 0.000 0.445 313 F N 1.526 121.402 119.950 -0.123 0.000 2.134 313 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 313 F C 2.301 178.082 175.800 -0.033 0.000 1.097 313 F CA 1.873 59.833 58.000 -0.067 0.000 1.264 313 F CB -0.025 38.944 39.000 -0.052 0.000 1.001 313 F HN 0.641 nan 8.300 nan 0.000 0.479 314 D N 0.392 120.885 120.400 0.155 0.000 2.178 314 D HA -0.196 4.444 4.640 -0.000 0.000 0.201 314 D C 1.941 178.282 176.300 0.069 0.000 0.980 314 D CA 1.383 55.444 54.000 0.101 0.000 0.842 314 D CB -1.007 39.843 40.800 0.084 0.000 0.948 314 D HN 0.314 nan 8.370 nan 0.000 0.472 315 L N -0.478 120.768 121.223 0.038 0.000 2.156 315 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 315 L C 2.924 179.803 176.870 0.015 0.000 1.095 315 L CA 0.638 55.508 54.840 0.049 0.000 0.770 315 L CB -0.409 41.700 42.059 0.084 0.000 0.914 315 L HN 0.032 nan 8.230 nan 0.000 0.439 316 R N 0.478 120.964 120.500 -0.023 0.000 2.081 316 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 316 R C 1.805 178.109 176.300 0.007 0.000 1.131 316 R CA 1.794 57.866 56.100 -0.046 0.000 0.960 316 R CB -0.087 30.199 30.300 -0.024 0.000 0.856 316 R HN 0.330 nan 8.270 nan 0.000 0.436 317 D N 0.260 120.704 120.400 0.074 0.000 2.117 317 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 317 D C 1.674 178.033 176.300 0.099 0.000 0.987 317 D CA 1.320 55.390 54.000 0.118 0.000 0.829 317 D CB -0.196 40.673 40.800 0.115 0.000 0.961 317 D HN 0.485 nan 8.370 nan 0.000 0.460 318 E N 0.315 120.553 120.200 0.063 0.000 2.051 318 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 318 E C 2.218 178.831 176.600 0.021 0.000 0.991 318 E CA 0.509 56.939 56.400 0.049 0.000 0.799 318 E CB -0.103 29.629 29.700 0.054 0.000 0.748 318 E HN 0.078 nan 8.360 nan 0.000 0.449 319 L N 0.750 121.959 121.223 -0.023 0.000 2.046 319 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 319 L C 2.418 179.216 176.870 -0.121 0.000 1.077 319 L CA 2.342 57.121 54.840 -0.102 0.000 0.747 319 L CB -0.717 41.204 42.059 -0.231 0.000 0.896 319 L HN 0.282 nan 8.230 nan 0.000 0.432 320 H N -0.627 118.317 119.070 -0.209 0.000 2.352 320 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 320 H C 2.201 177.561 175.328 0.053 0.000 1.097 320 H CA 2.206 58.243 56.048 -0.018 0.000 1.311 320 H CB 0.004 29.863 29.762 0.161 0.000 1.377 320 H HN 0.511 nan 8.280 nan 0.000 0.504 321 Q N -0.241 119.548 119.800 -0.018 0.000 2.124 321 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 321 Q C 2.317 178.288 176.000 -0.048 0.000 0.977 321 Q CA 1.540 57.312 55.803 -0.052 0.000 0.850 321 Q CB -0.014 28.733 28.738 0.015 0.000 0.901 321 Q HN 0.690 nan 8.270 nan 0.000 0.429 322 Q N -0.192 119.596 119.800 -0.021 0.000 2.084 322 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 322 Q C 2.242 178.242 176.000 -0.000 0.000 0.978 322 Q CA 1.369 57.172 55.803 0.001 0.000 0.844 322 Q CB -0.003 28.745 28.738 0.017 0.000 0.898 322 Q HN 0.194 nan 8.270 nan 0.000 0.426 323 V N 1.165 121.071 119.914 -0.012 0.000 2.295 323 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 323 V C 2.181 178.257 176.094 -0.029 0.000 1.049 323 V CA 1.936 64.249 62.300 0.022 0.000 1.024 323 V CB -0.635 31.258 31.823 0.117 0.000 0.648 323 V HN 0.383 nan 8.190 nan 0.000 0.447 324 Q N -0.160 119.558 119.800 -0.137 0.000 2.077 324 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 324 Q C 2.438 178.415 176.000 -0.039 0.000 0.989 324 Q CA 2.004 57.734 55.803 -0.121 0.000 0.853 324 Q CB -0.484 28.140 28.738 -0.191 0.000 0.907 324 Q HN 0.680 nan 8.270 nan 0.000 0.418 325 A N 0.461 123.267 122.820 -0.025 0.000 1.908 325 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 325 A C 2.282 179.878 177.584 0.019 0.000 1.181 325 A CA 1.875 53.914 52.037 0.004 0.000 0.627 325 A CB -0.600 18.408 19.000 0.014 0.000 0.818 325 A HN 0.278 nan 8.150 nan 0.000 0.445 326 S N -0.518 115.198 115.700 0.027 0.000 2.368 326 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 326 S C 1.897 176.520 174.600 0.039 0.000 1.030 326 S CA 1.403 59.629 58.200 0.044 0.000 0.999 326 S CB -0.472 62.764 63.200 0.060 0.000 0.844 326 S HN 0.345 nan 8.310 nan 0.000 0.459 327 V N 2.095 122.029 119.914 0.034 0.000 2.343 327 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 327 V C 2.661 178.771 176.094 0.026 0.000 1.051 327 V CA 1.669 63.989 62.300 0.034 0.000 1.036 327 V CB -1.226 30.617 31.823 0.034 0.000 0.654 327 V HN 0.541 nan 8.190 nan 0.000 0.451 328 A N -0.295 122.537 122.820 0.019 0.000 1.978 328 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 328 A C 2.088 179.684 177.584 0.020 0.000 1.170 328 A CA 1.977 54.025 52.037 0.018 0.000 0.636 328 A CB -0.462 18.546 19.000 0.014 0.000 0.810 328 A HN 0.652 nan 8.150 nan 0.000 0.448 329 E N -2.042 118.172 120.200 0.023 0.000 2.427 329 E HA 0.246 4.596 4.350 -0.000 0.000 0.196 329 E C 1.144 177.756 176.600 0.021 0.000 1.028 329 E CA 0.423 56.836 56.400 0.022 0.000 0.864 329 E CB 0.010 29.726 29.700 0.027 0.000 0.813 329 E HN 0.742 nan 8.360 nan 0.000 0.514 330 G N 0.308 109.122 108.800 0.024 0.000 2.227 330 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.168 330 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.168 330 G C 0.297 175.215 174.900 0.029 0.000 1.006 330 G CA -0.279 44.835 45.100 0.023 0.000 0.684 330 G HN 0.401 nan 8.290 nan 0.000 0.489 331 A N 0.280 123.122 122.820 0.037 0.000 2.425 331 A HA 0.663 4.983 4.320 -0.000 0.000 0.242 331 A C 0.690 178.302 177.584 0.047 0.000 1.077 331 A CA 0.461 52.526 52.037 0.047 0.000 0.781 331 A CB 0.285 19.321 19.000 0.061 0.000 1.020 331 A HN 0.627 nan 8.150 nan 0.000 0.494 332 R N 1.751 122.281 120.500 0.050 0.000 2.207 332 R HA 0.386 4.726 4.340 -0.000 0.000 0.334 332 R C -1.121 175.214 176.300 0.060 0.000 1.013 332 R CA -0.638 55.492 56.100 0.049 0.000 0.858 332 R CB 0.408 30.735 30.300 0.044 0.000 1.094 332 R HN 0.620 nan 8.270 nan 0.000 0.457 333 L N 6.559 127.817 121.223 0.059 0.000 2.325 333 L HA 0.158 4.498 4.340 -0.000 0.000 0.284 333 L C 0.158 177.064 176.870 0.060 0.000 1.089 333 L CA 0.454 55.336 54.840 0.069 0.000 0.836 333 L CB 0.847 42.948 42.059 0.070 0.000 1.184 333 L HN 0.826 nan 8.230 nan 0.000 0.444 334 L N 5.160 126.424 121.223 0.068 0.000 2.513 334 L HA 0.282 4.622 4.340 -0.000 0.000 0.222 334 L C -0.254 176.644 176.870 0.048 0.000 1.096 334 L CA 0.069 54.943 54.840 0.056 0.000 0.857 334 L CB 0.158 42.255 42.059 0.063 0.000 1.026 334 L HN 0.524 nan 8.230 nan 0.000 0.469 335 L N -1.181 120.080 121.223 0.062 0.000 2.591 335 L HA 0.644 4.984 4.340 -0.000 0.000 0.257 335 L C 0.158 177.060 176.870 0.054 0.000 0.935 335 L CA 0.388 55.253 54.840 0.042 0.000 0.873 335 L CB 1.545 43.628 42.059 0.039 0.000 1.397 335 L HN 0.125 nan 8.230 nan 0.000 0.414 336 G N 2.798 111.605 108.800 0.011 0.000 2.561 336 G HA2 0.183 4.143 3.960 -0.000 0.000 0.289 336 G HA3 0.183 4.143 3.960 -0.000 0.000 0.289 336 G C 0.943 175.844 174.900 0.001 0.000 1.169 336 G CA 0.746 45.835 45.100 -0.019 0.000 0.980 336 G HN 2.475 nan 8.290 nan 0.000 0.550 337 G N -0.618 108.203 108.800 0.034 0.000 2.160 337 G HA2 0.051 4.010 3.960 -0.000 0.000 0.244 337 G HA3 0.051 4.010 3.960 -0.000 0.000 0.244 337 G C -0.040 174.918 174.900 0.097 0.000 1.022 337 G CA 1.732 46.934 45.100 0.171 0.000 0.741 337 G HN 1.378 nan 8.290 nan 0.000 0.508 338 E N -0.600 119.387 120.200 -0.354 0.000 2.340 338 E HA 0.457 4.807 4.350 -0.000 0.000 0.273 338 E C -0.242 175.901 176.600 -0.762 0.000 0.891 338 E CA -1.038 55.129 56.400 -0.388 0.000 0.757 338 E CB 1.711 31.292 29.700 -0.199 0.000 1.231 338 E HN 0.240 nan 8.360 nan 0.000 0.439 339 K N 1.760 121.882 120.400 -0.464 0.000 2.270 339 K HA 0.280 4.600 4.320 -0.000 0.000 0.276 339 K C -0.124 176.387 176.600 -0.148 0.000 1.023 339 K CA -0.477 55.686 56.287 -0.206 0.000 0.955 339 K CB 0.662 33.124 32.500 -0.064 0.000 0.975 339 K HN 0.278 nan 8.250 nan 0.000 0.471 340 I N 2.474 123.010 120.570 -0.057 0.000 2.395 340 I HA 0.095 4.265 4.170 -0.000 0.000 0.289 340 I C 0.771 176.897 176.117 0.015 0.000 1.023 340 I CA -0.484 60.795 61.300 -0.034 0.000 1.350 340 I CB 0.714 38.706 38.000 -0.014 0.000 1.409 340 I HN 0.695 nan 8.210 nan 0.000 0.507 341 A N 4.760 127.574 122.820 -0.010 0.000 2.498 341 A HA 0.570 4.890 4.320 -0.000 0.000 0.239 341 A C 0.734 178.337 177.584 0.032 0.000 1.068 341 A CA 0.774 52.817 52.037 0.010 0.000 0.766 341 A CB -0.049 18.945 19.000 -0.009 0.000 1.003 341 A HN 1.212 nan 8.150 nan 0.000 0.497 342 G N 0.909 109.743 108.800 0.057 0.000 2.361 342 G HA2 0.131 4.091 3.960 -0.000 0.000 0.331 342 G HA3 0.131 4.091 3.960 -0.000 0.000 0.331 342 G C -0.098 174.873 174.900 0.118 0.000 1.324 342 G CA -0.065 45.079 45.100 0.075 0.000 0.984 342 G HN 0.586 nan 8.290 nan 0.000 0.586 343 E N -0.481 119.793 120.200 0.122 0.000 2.442 343 E HA 0.194 4.544 4.350 -0.000 0.000 0.195 343 E C 1.656 178.407 176.600 0.251 0.000 1.030 343 E CA 0.399 56.883 56.400 0.140 0.000 0.869 343 E CB 0.410 30.159 29.700 0.081 0.000 0.857 343 E HN 0.691 nan 8.360 nan 0.000 0.505 344 G N 1.177 110.134 108.800 0.262 0.000 2.621 344 G HA2 0.000 3.960 3.960 -0.000 0.000 0.271 344 G HA3 0.000 3.960 3.960 -0.000 0.000 0.271 344 G C 0.015 174.979 174.900 0.107 0.000 1.236 344 G CA -0.422 44.804 45.100 0.210 0.000 0.958 344 G HN 0.018 nan 8.290 nan 0.000 0.512 345 N N -0.989 117.488 118.700 -0.371 0.000 2.761 345 N HA 0.229 4.969 4.740 -0.000 0.000 0.317 345 N C -1.324 173.955 175.510 -0.385 0.000 1.546 345 N CA -0.463 52.265 53.050 -0.536 0.000 1.015 345 N CB -0.195 37.542 38.487 -1.249 0.000 1.343 345 N HN 0.365 nan 8.380 nan 0.000 0.504 346 Y N 0.285 120.549 120.300 -0.061 0.000 2.310 346 Y HA 0.338 4.888 4.550 -0.000 0.000 0.326 346 Y C -0.457 175.472 175.900 0.049 0.000 1.151 346 Y CA -0.446 57.643 58.100 -0.019 0.000 1.195 346 Y CB 0.826 39.265 38.460 -0.034 0.000 1.210 346 Y HN 0.146 nan 8.280 nan 0.000 0.483 347 Y N 1.617 121.979 120.300 0.104 0.000 2.391 347 Y HA 0.674 5.224 4.550 -0.000 0.000 0.341 347 Y C -0.237 175.712 175.900 0.081 0.000 0.965 347 Y CA -1.483 56.658 58.100 0.069 0.000 1.067 347 Y CB 1.099 39.591 38.460 0.053 0.000 1.199 347 Y HN 0.772 nan 8.280 nan 0.000 0.450 348 A N 4.067 126.678 122.820 -0.348 0.000 2.531 348 A HA 0.474 4.794 4.320 -0.000 0.000 0.236 348 A C 0.210 177.804 177.584 0.017 0.000 1.062 348 A CA 0.137 52.072 52.037 -0.169 0.000 0.760 348 A CB -0.465 18.390 19.000 -0.242 0.000 0.995 348 A HN 1.141 nan 8.150 nan 0.000 0.501 349 A N 2.943 125.771 122.820 0.012 0.000 2.548 349 A HA 0.481 4.801 4.320 -0.000 0.000 0.247 349 A C 0.634 178.284 177.584 0.111 0.000 1.067 349 A CA 0.757 52.821 52.037 0.045 0.000 0.757 349 A CB -0.405 18.440 19.000 -0.258 0.000 0.996 349 A HN 0.907 nan 8.150 nan 0.000 0.504 350 T N 1.928 116.658 114.554 0.293 0.000 2.876 350 T HA 0.574 4.924 4.350 -0.000 0.000 0.289 350 T C -0.720 174.171 174.700 0.318 0.000 1.014 350 T CA -0.396 61.866 62.100 0.271 0.000 0.986 350 T CB 1.588 70.664 68.868 0.348 0.000 1.021 350 T HN 0.523 nan 8.240 nan 0.000 0.458 351 V N 3.745 123.801 119.914 0.238 0.000 2.577 351 V HA 0.530 4.650 4.120 -0.000 0.000 0.303 351 V C -0.796 175.392 176.094 0.157 0.000 1.042 351 V CA -0.814 61.626 62.300 0.233 0.000 0.872 351 V CB 1.751 33.721 31.823 0.247 0.000 0.998 351 V HN 0.708 nan 8.190 nan 0.000 0.423 352 L N 4.169 125.476 121.223 0.140 0.000 2.322 352 L HA 0.920 5.260 4.340 -0.000 0.000 0.281 352 L C 0.256 177.183 176.870 0.095 0.000 1.014 352 L CA -0.260 54.647 54.840 0.111 0.000 0.815 352 L CB 1.819 43.947 42.059 0.114 0.000 1.247 352 L HN 0.797 nan 8.230 nan 0.000 0.421 353 A N 1.137 124.005 122.820 0.079 0.000 2.389 353 A HA 0.657 4.977 4.320 -0.000 0.000 0.293 353 A C -0.334 177.287 177.584 0.061 0.000 1.186 353 A CA -0.410 51.669 52.037 0.070 0.000 0.828 353 A CB 0.863 19.900 19.000 0.062 0.000 1.369 353 A HN 0.791 nan 8.150 nan 0.000 0.446 354 D N -1.111 119.320 120.400 0.053 0.000 2.837 354 D HA -0.128 4.512 4.640 -0.000 0.000 0.230 354 D C -0.205 176.115 176.300 0.034 0.000 1.152 354 D CA 1.125 55.148 54.000 0.038 0.000 0.736 354 D CB -1.835 38.986 40.800 0.034 0.000 1.084 354 D HN 0.337 nan 8.370 nan 0.000 0.429 355 V N 0.919 120.864 119.914 0.052 0.000 2.508 355 V HA 0.323 4.443 4.120 -0.000 0.000 0.281 355 V C 1.282 177.363 176.094 -0.022 0.000 1.041 355 V CA 0.403 62.738 62.300 0.059 0.000 1.016 355 V CB 1.390 33.298 31.823 0.142 0.000 0.984 355 V HN 0.339 nan 8.190 nan 0.000 0.478 356 T N 3.240 117.743 114.554 -0.083 0.000 2.950 356 T HA 0.466 4.816 4.350 -0.000 0.000 0.288 356 T C -2.028 172.419 174.700 -0.423 0.000 1.035 356 T CA -2.230 59.735 62.100 -0.225 0.000 1.028 356 T CB 1.914 70.708 68.868 -0.123 0.000 1.109 356 T HN 0.360 nan 8.240 nan 0.000 0.514 357 P HA 0.019 nan 4.420 nan 0.000 0.221 357 P C 0.119 177.310 177.300 -0.181 0.000 1.145 357 P CA 0.885 63.496 63.100 -0.814 0.000 0.795 357 P CB -0.001 31.357 31.700 -0.571 0.000 0.775 361 A N 0.248 123.138 122.820 0.117 0.000 2.125 361 A HA 0.190 4.510 4.320 -0.000 0.000 0.219 361 A C 1.629 179.296 177.584 0.138 0.000 1.156 361 A CA 1.374 53.477 52.037 0.111 0.000 0.671 361 A CB -0.685 18.382 19.000 0.112 0.000 0.794 361 A HN 0.491 nan 8.150 nan 0.000 0.459 362 F N -0.914 119.055 119.950 0.032 0.000 2.505 362 F HA 0.154 4.681 4.527 -0.000 0.000 0.289 362 F C 2.272 178.106 175.800 0.058 0.000 1.101 362 F CA 0.563 58.581 58.000 0.029 0.000 1.446 362 F CB 0.273 39.288 39.000 0.024 0.000 1.123 362 F HN 0.004 nan 8.300 nan 0.000 0.564 363 R N 0.094 120.742 120.500 0.246 0.000 2.189 363 R HA 0.180 4.520 4.340 -0.000 0.000 0.203 363 R C 0.161 176.591 176.300 0.216 0.000 1.012 363 R CA 0.374 56.600 56.100 0.211 0.000 1.015 363 R CB -0.173 30.240 30.300 0.187 0.000 0.938 363 R HN 0.361 nan 8.270 nan 0.000 0.472 364 Q N 0.390 120.290 119.800 0.166 0.000 2.241 364 Q HA 0.218 4.558 4.340 -0.000 0.000 0.262 364 Q C -0.680 175.345 176.000 0.042 0.000 1.014 364 Q CA -0.511 55.401 55.803 0.181 0.000 0.885 364 Q CB 1.965 30.775 28.738 0.121 0.000 1.311 364 Q HN 0.007 nan 8.270 nan 0.000 0.461 365 E N 1.770 121.936 120.200 -0.057 0.000 2.257 365 E HA 0.116 4.466 4.350 -0.000 0.000 0.278 365 E C -1.064 175.516 176.600 -0.033 0.000 1.049 365 E CA -0.158 56.105 56.400 -0.229 0.000 0.876 365 E CB 0.401 29.861 29.700 -0.400 0.000 1.035 365 E HN 0.413 nan 8.360 nan 0.000 0.419 366 L N 6.349 127.556 121.223 -0.026 0.000 2.288 366 L HA 0.238 4.578 4.340 -0.000 0.000 0.283 366 L C -0.248 176.665 176.870 0.072 0.000 1.072 366 L CA -0.513 54.344 54.840 0.027 0.000 0.862 366 L CB 0.100 42.160 42.059 0.002 0.000 1.245 366 L HN 0.662 nan 8.230 nan 0.000 0.432 367 F N 3.386 123.311 119.950 -0.042 0.000 2.560 367 F HA 0.561 5.088 4.527 0.000 0.000 0.338 367 F C 0.780 176.597 175.800 0.027 0.000 1.201 367 F CA -0.231 57.764 58.000 -0.009 0.000 1.291 367 F CB 0.231 39.244 39.000 0.020 0.000 1.627 367 F HN 0.416 nan 8.300 nan 0.000 0.588 368 G N 2.054 110.805 108.800 -0.082 0.000 2.340 368 G HA2 0.232 4.192 3.960 -0.000 0.000 0.299 368 G HA3 0.232 4.192 3.960 -0.000 0.000 0.299 368 G C -3.114 171.784 174.900 -0.002 0.000 1.291 368 G CA -0.819 44.254 45.100 -0.045 0.000 0.841 368 G HN -0.139 nan 8.290 nan 0.000 0.500 369 P HA 0.370 nan 4.420 nan 0.000 0.220 369 P C -0.598 176.910 177.300 0.347 0.000 1.806 369 P CA -0.104 63.164 63.100 0.280 0.000 0.976 369 P CB 0.324 32.278 31.700 0.423 0.000 1.952 370 V N 1.347 121.358 119.914 0.162 0.000 2.409 370 V HA 0.554 4.674 4.120 -0.000 0.000 0.290 370 V C 0.393 176.563 176.094 0.127 0.000 1.017 370 V CA -1.051 61.367 62.300 0.196 0.000 0.841 370 V CB 1.606 33.519 31.823 0.150 0.000 1.003 370 V HN 0.324 nan 8.190 nan 0.000 0.426 371 A N 3.919 126.864 122.820 0.208 0.000 2.310 371 A HA 0.897 5.217 4.320 -0.000 0.000 0.299 371 A C 0.304 177.998 177.584 0.182 0.000 1.147 371 A CA -0.090 52.083 52.037 0.227 0.000 0.818 371 A CB 1.014 20.170 19.000 0.260 0.000 1.096 371 A HN 1.331 nan 8.150 nan 0.000 0.495 372 A N 2.513 125.442 122.820 0.180 0.000 2.303 372 A HA 0.692 5.012 4.320 -0.000 0.000 0.320 372 A C -0.517 177.180 177.584 0.187 0.000 1.192 372 A CA -0.384 51.741 52.037 0.147 0.000 0.821 372 A CB 0.263 19.327 19.000 0.107 0.000 1.188 372 A HN 0.726 nan 8.150 nan 0.000 0.492 373 I N 2.081 122.735 120.570 0.140 0.000 2.406 373 I HA 0.407 4.577 4.170 -0.000 0.000 0.290 373 I C -0.268 175.916 176.117 0.111 0.000 0.999 373 I CA -0.179 61.197 61.300 0.127 0.000 1.124 373 I CB 2.357 40.397 38.000 0.068 0.000 1.289 373 I HN 0.537 nan 8.210 nan 0.000 0.441 374 T N 5.226 119.844 114.554 0.107 0.000 2.848 374 T HA 0.415 4.765 4.350 -0.000 0.000 0.285 374 T C -0.271 174.441 174.700 0.021 0.000 0.995 374 T CA -0.469 61.675 62.100 0.074 0.000 0.970 374 T CB 2.077 71.033 68.868 0.146 0.000 0.976 374 T HN 0.138 nan 8.240 nan 0.000 0.441 375 V N 2.823 122.742 119.914 0.008 0.000 2.498 375 V HA 0.666 4.786 4.120 -0.000 0.000 0.279 375 V C 0.468 176.552 176.094 -0.017 0.000 1.048 375 V CA -0.662 61.642 62.300 0.006 0.000 0.967 375 V CB 0.992 32.835 31.823 0.033 0.000 0.988 375 V HN 1.071 nan 8.190 nan 0.000 0.473 376 A N 4.086 126.890 122.820 -0.027 0.000 2.324 376 A HA 0.503 4.823 4.320 -0.000 0.000 0.330 376 A C 1.071 178.753 177.584 0.164 0.000 1.165 376 A CA -0.593 51.425 52.037 -0.033 0.000 0.813 376 A CB 0.949 19.881 19.000 -0.113 0.000 1.197 376 A HN 0.870 nan 8.150 nan 0.000 0.484 377 K N 0.177 120.831 120.400 0.424 0.000 2.057 377 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 377 K C -0.171 176.498 176.600 0.116 0.000 1.049 377 K CA 2.104 58.511 56.287 0.199 0.000 0.931 377 K CB 0.002 32.551 32.500 0.083 0.000 0.714 377 K HN 0.965 nan 8.250 nan 0.000 0.440 378 D N -4.166 116.313 120.400 0.132 0.000 2.779 378 D HA 0.164 4.804 4.640 -0.000 0.000 0.331 378 D C 0.119 176.465 176.300 0.078 0.000 1.331 378 D CA -0.090 53.958 54.000 0.079 0.000 0.866 378 D CB 0.389 41.223 40.800 0.057 0.000 1.409 378 D HN -0.108 nan 8.370 nan 0.000 0.486 379 A N -0.019 122.831 122.820 0.050 0.000 1.940 379 A HA 0.154 4.474 4.320 -0.000 0.000 0.219 379 A C 2.114 179.726 177.584 0.047 0.000 1.176 379 A CA 2.845 54.905 52.037 0.037 0.000 0.631 379 A CB -1.304 17.710 19.000 0.023 0.000 0.814 379 A HN 0.798 nan 8.150 nan 0.000 0.446 380 A N -1.358 121.497 122.820 0.059 0.000 1.902 380 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 380 A C 2.081 179.733 177.584 0.114 0.000 1.181 380 A CA 1.708 53.784 52.037 0.064 0.000 0.623 380 A CB -0.961 18.068 19.000 0.049 0.000 0.818 380 A HN 0.800 nan 8.150 nan 0.000 0.443 381 H N -0.571 118.505 119.070 0.010 0.000 2.353 381 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 381 H C 2.339 177.682 175.328 0.025 0.000 1.090 381 H CA 1.017 57.073 56.048 0.013 0.000 1.327 381 H CB 0.026 29.792 29.762 0.007 0.000 1.383 381 H HN 0.467 nan 8.280 nan 0.000 0.508 382 A N 1.178 124.007 122.820 0.015 0.000 1.883 382 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 382 A C 2.385 179.961 177.584 -0.013 0.000 1.186 382 A CA 1.551 53.559 52.037 -0.049 0.000 0.624 382 A CB -0.833 18.156 19.000 -0.018 0.000 0.822 382 A HN 0.458 nan 8.150 nan 0.000 0.444 383 L N -0.285 120.948 121.223 0.016 0.000 2.046 383 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 383 L C 2.669 179.560 176.870 0.035 0.000 1.077 383 L CA 2.272 57.123 54.840 0.018 0.000 0.747 383 L CB -0.844 41.226 42.059 0.018 0.000 0.896 383 L HN 0.348 nan 8.230 nan 0.000 0.432 384 A N -0.525 122.331 122.820 0.060 0.000 1.877 384 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 384 A C 2.266 179.906 177.584 0.094 0.000 1.186 384 A CA 1.988 54.074 52.037 0.082 0.000 0.620 384 A CB -0.924 18.151 19.000 0.126 0.000 0.822 384 A HN 0.503 nan 8.150 nan 0.000 0.443 385 L N -0.737 120.527 121.223 0.069 0.000 2.046 385 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 385 L C 3.121 180.113 176.870 0.204 0.000 1.077 385 L CA 1.119 56.049 54.840 0.151 0.000 0.747 385 L CB -0.601 41.475 42.059 0.028 0.000 0.896 385 L HN 0.442 nan 8.230 nan 0.000 0.432 386 A N 0.184 123.049 122.820 0.075 0.000 1.908 386 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 386 A C 1.955 179.548 177.584 0.015 0.000 1.181 386 A CA 2.026 54.071 52.037 0.013 0.000 0.627 386 A CB -0.538 18.456 19.000 -0.011 0.000 0.818 386 A HN 0.452 nan 8.150 nan 0.000 0.445 387 N N 0.110 118.833 118.700 0.039 0.000 2.467 387 N HA -0.031 4.708 4.740 -0.000 0.000 0.184 387 N C -0.140 175.405 175.510 0.059 0.000 1.106 387 N CA 0.560 53.630 53.050 0.034 0.000 0.892 387 N CB -0.147 38.356 38.487 0.027 0.000 0.969 387 N HN 0.433 nan 8.380 nan 0.000 0.454 388 D N 0.616 121.085 120.400 0.115 0.000 2.608 388 D HA 0.134 4.774 4.640 -0.000 0.000 0.224 388 D C -0.888 175.516 176.300 0.173 0.000 1.123 388 D CA 0.039 54.138 54.000 0.164 0.000 1.030 388 D CB -0.239 40.707 40.800 0.243 0.000 1.093 388 D HN -0.116 nan 8.370 nan 0.000 0.497 389 S N 1.199 116.947 115.700 0.079 0.000 2.537 389 S HA 0.171 4.641 4.470 -0.000 0.000 0.271 389 S C 0.444 175.041 174.600 -0.005 0.000 1.148 389 S CA -0.736 57.498 58.200 0.057 0.000 0.868 389 S CB 1.025 64.249 63.200 0.039 0.000 1.115 389 S HN 0.332 nan 8.310 nan 0.000 0.461 390 E N 2.003 122.140 120.200 -0.106 0.000 2.489 390 E HA 0.163 4.513 4.350 -0.000 0.000 0.193 390 E C -0.454 175.886 176.600 -0.434 0.000 1.057 390 E CA 0.150 56.377 56.400 -0.289 0.000 0.866 390 E CB -0.070 29.399 29.700 -0.386 0.000 0.916 390 E HN 0.448 nan 8.360 nan 0.000 0.500 391 F N 0.491 120.417 119.950 -0.040 0.000 2.457 391 F HA 0.608 5.135 4.527 0.000 0.000 0.330 391 F C 0.993 176.759 175.800 -0.056 0.000 1.069 391 F CA -0.593 57.377 58.000 -0.049 0.000 1.009 391 F CB 1.963 40.928 39.000 -0.059 0.000 1.276 391 F HN -0.068 nan 8.300 nan 0.000 0.492 392 G N 1.020 109.910 108.800 0.149 0.000 4.836 392 G HA2 0.290 4.250 3.960 -0.000 0.000 0.222 392 G HA3 0.290 4.250 3.960 -0.000 0.000 0.222 392 G C -0.441 174.456 174.900 -0.006 0.000 1.332 392 G CA -0.169 44.956 45.100 0.042 0.000 0.606 392 G HN 0.532 nan 8.290 nan 0.000 0.357 393 L N 0.178 121.393 121.223 -0.014 0.000 2.115 393 L HA 0.626 4.966 4.340 -0.000 0.000 0.200 393 L C 0.903 177.711 176.870 -0.102 0.000 1.094 393 L CA 1.485 56.266 54.840 -0.097 0.000 0.769 393 L CB 0.042 42.044 42.059 -0.094 0.000 0.931 393 L HN 0.205 nan 8.230 nan 0.000 0.455 394 S N -1.934 113.745 115.700 -0.035 0.000 2.685 394 S HA 0.901 5.371 4.470 -0.000 0.000 0.282 394 S C -1.238 173.388 174.600 0.044 0.000 1.159 394 S CA -0.215 58.009 58.200 0.040 0.000 0.833 394 S CB 1.818 65.098 63.200 0.133 0.000 1.151 394 S HN 0.561 nan 8.310 nan 0.000 0.485 395 A N 0.542 123.420 122.820 0.097 0.000 2.612 395 A HA 0.820 5.140 4.320 -0.000 0.000 0.293 395 A C -1.235 176.393 177.584 0.073 0.000 1.075 395 A CA -0.637 51.425 52.037 0.042 0.000 0.680 395 A CB 1.479 20.475 19.000 -0.007 0.000 1.279 395 A HN 0.557 nan 8.150 nan 0.000 0.411 396 T N 0.930 115.455 114.554 -0.048 0.000 2.893 396 T HA 0.690 5.040 4.350 -0.000 0.000 0.293 396 T C -0.856 173.686 174.700 -0.264 0.000 1.027 396 T CA -0.128 61.864 62.100 -0.180 0.000 0.988 396 T CB 0.965 69.550 68.868 -0.472 0.000 1.043 396 T HN 0.514 nan 8.240 nan 0.000 0.461 397 I N 2.290 122.717 120.570 -0.238 0.000 2.499 397 I HA 0.483 4.653 4.170 -0.000 0.000 0.288 397 I C -1.353 174.633 176.117 -0.218 0.000 1.048 397 I CA -0.752 60.444 61.300 -0.173 0.000 1.062 397 I CB 1.815 39.742 38.000 -0.122 0.000 1.238 397 I HN 0.494 nan 8.210 nan 0.000 0.426 398 F N 3.863 123.700 119.950 -0.188 0.000 2.402 398 F HA 0.662 5.189 4.527 -0.000 0.000 0.355 398 F C 0.312 176.088 175.800 -0.040 0.000 1.123 398 F CA -0.304 57.640 58.000 -0.093 0.000 1.021 398 F CB 1.987 40.962 39.000 -0.040 0.000 1.160 398 F HN 0.349 nan 8.300 nan 0.000 0.451 399 T N 1.508 116.097 114.554 0.059 0.000 2.977 399 T HA 0.516 4.866 4.350 -0.000 0.000 0.345 399 T C 0.139 174.853 174.700 0.024 0.000 1.562 399 T CA 0.023 62.155 62.100 0.054 0.000 1.090 399 T CB 1.169 70.049 68.868 0.020 0.000 1.383 399 T HN 0.572 nan 8.240 nan 0.000 0.484 400 A N 1.976 124.820 122.820 0.041 0.000 2.119 400 A HA 0.202 4.522 4.320 -0.000 0.000 0.216 400 A C 0.935 178.525 177.584 0.009 0.000 1.152 400 A CA 0.679 52.733 52.037 0.028 0.000 0.708 400 A CB -0.261 18.763 19.000 0.040 0.000 0.805 400 A HN 0.730 nan 8.150 nan 0.000 0.460 401 D N 0.622 121.025 120.400 0.005 0.000 2.402 401 D HA 0.110 4.750 4.640 -0.000 0.000 0.235 401 D C -0.114 176.176 176.300 -0.016 0.000 1.226 401 D CA -0.199 53.800 54.000 -0.002 0.000 0.918 401 D CB 0.291 41.092 40.800 0.003 0.000 1.043 401 D HN 0.174 nan 8.370 nan 0.000 0.506 402 D N 1.876 122.265 120.400 -0.019 0.000 2.144 402 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 402 D C 1.565 177.847 176.300 -0.030 0.000 0.978 402 D CA 1.063 55.045 54.000 -0.030 0.000 0.833 402 D CB 0.161 40.946 40.800 -0.026 0.000 0.961 402 D HN 0.397 nan 8.370 nan 0.000 0.470 403 T N 1.362 115.904 114.554 -0.021 0.000 2.737 403 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 403 T C 1.934 176.621 174.700 -0.021 0.000 1.038 403 T CA 0.443 62.532 62.100 -0.019 0.000 1.144 403 T CB -0.294 68.567 68.868 -0.012 0.000 0.866 403 T HN 0.027 nan 8.240 nan 0.000 0.434 404 L N 1.529 122.741 121.223 -0.018 0.000 2.046 404 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 404 L C 2.577 179.431 176.870 -0.027 0.000 1.077 404 L CA 1.929 56.759 54.840 -0.017 0.000 0.747 404 L CB -1.034 41.019 42.059 -0.009 0.000 0.896 404 L HN 0.218 nan 8.230 nan 0.000 0.432 405 A N -0.471 122.327 122.820 -0.038 0.000 1.908 405 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 405 A C 2.452 180.000 177.584 -0.059 0.000 1.181 405 A CA 1.929 53.932 52.037 -0.056 0.000 0.627 405 A CB -1.192 17.762 19.000 -0.077 0.000 0.818 405 A HN 0.589 nan 8.150 nan 0.000 0.445 406 A N -0.284 122.504 122.820 -0.053 0.000 1.898 406 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 406 A C 1.410 178.968 177.584 -0.043 0.000 1.181 406 A CA 1.222 53.228 52.037 -0.052 0.000 0.620 406 A CB -0.436 18.538 19.000 -0.044 0.000 0.819 406 A HN 0.707 nan 8.150 nan 0.000 0.442 410 A N 0.478 123.271 122.820 -0.045 0.000 2.015 410 A HA 0.001 4.321 4.320 -0.000 0.000 0.219 410 A C 1.890 179.456 177.584 -0.030 0.000 1.163 410 A CA 1.632 53.646 52.037 -0.038 0.000 0.646 410 A CB -0.417 18.564 19.000 -0.030 0.000 0.806 410 A HN 0.487 nan 8.150 nan 0.000 0.448 411 R N -1.184 119.300 120.500 -0.027 0.000 2.312 411 R HA 0.316 4.656 4.340 -0.000 0.000 0.205 411 R C -0.425 175.864 176.300 -0.019 0.000 0.904 411 R CA -0.260 55.829 56.100 -0.019 0.000 1.052 411 R CB 0.002 30.295 30.300 -0.012 0.000 1.014 411 R HN 0.354 nan 8.270 nan 0.000 0.503 412 L N 2.054 123.260 121.223 -0.027 0.000 2.360 412 L HA 0.079 4.419 4.340 -0.000 0.000 0.276 412 L C 0.177 177.030 176.870 -0.028 0.000 1.121 412 L CA 0.137 54.961 54.840 -0.027 0.000 0.845 412 L CB 0.946 42.984 42.059 -0.035 0.000 1.143 412 L HN 0.020 nan 8.230 nan 0.000 0.452 413 E N 3.781 123.969 120.200 -0.020 0.000 1.979 413 E HA 0.192 4.542 4.350 -0.000 0.000 0.285 413 E C -0.674 175.912 176.600 -0.024 0.000 1.188 413 E CA -0.326 56.061 56.400 -0.021 0.000 1.214 413 E CB 0.110 29.802 29.700 -0.012 0.000 1.210 413 E HN 0.600 nan 8.360 nan 0.000 0.477 414 C N -2.948 116.329 119.300 -0.038 0.000 3.321 414 C HA 0.707 5.167 4.460 -0.000 0.000 0.329 414 C C 1.364 176.311 174.990 -0.072 0.000 1.394 414 C CA -0.746 58.244 59.018 -0.047 0.000 1.291 414 C CB 0.822 28.541 27.740 -0.036 0.000 1.606 414 C HN 0.462 nan 8.230 nan 0.000 0.463 415 G N -0.629 108.111 108.800 -0.100 0.000 3.042 415 G HA2 0.536 4.496 3.960 -0.000 0.000 0.212 415 G HA3 0.536 4.496 3.960 -0.000 0.000 0.212 415 G C 0.477 175.298 174.900 -0.132 0.000 1.166 415 G CA 0.524 45.543 45.100 -0.136 0.000 0.767 415 G HN 1.703 nan 8.290 nan 0.000 0.546 416 G N -0.808 107.942 108.800 -0.084 0.000 2.753 416 G HA2 0.477 4.437 3.960 -0.000 0.000 0.297 416 G HA3 0.477 4.437 3.960 -0.000 0.000 0.297 416 G C -1.913 172.966 174.900 -0.035 0.000 1.430 416 G CA -0.339 44.725 45.100 -0.060 0.000 1.040 416 G HN 0.267 nan 8.290 nan 0.000 0.530 417 V N 1.942 121.735 119.914 -0.202 0.000 2.525 417 V HA 0.516 4.636 4.120 -0.000 0.000 0.299 417 V C -1.103 174.770 176.094 -0.367 0.000 1.034 417 V CA -0.694 61.518 62.300 -0.146 0.000 0.863 417 V CB 1.383 33.125 31.823 -0.135 0.000 0.999 417 V HN 0.631 nan 8.190 nan 0.000 0.423 418 F N 4.937 124.832 119.950 -0.092 0.000 2.411 418 F HA 0.603 5.130 4.527 -0.000 0.000 0.352 418 F C 0.255 175.932 175.800 -0.204 0.000 1.123 418 F CA -0.448 57.486 58.000 -0.109 0.000 1.044 418 F CB 1.383 40.349 39.000 -0.056 0.000 1.135 418 F HN 0.269 nan 8.300 nan 0.000 0.461 419 I N 4.597 125.088 120.570 -0.131 0.000 2.321 419 I HA 0.201 4.371 4.170 -0.000 0.000 0.291 419 I C -0.170 175.720 176.117 -0.378 0.000 0.998 419 I CA -0.616 60.534 61.300 -0.249 0.000 1.227 419 I CB 0.725 38.611 38.000 -0.191 0.000 1.368 419 I HN 0.598 nan 8.210 nan 0.000 0.466 420 N N 4.578 122.782 118.700 -0.827 0.000 2.725 420 N HA -0.158 4.582 4.740 -0.000 0.000 0.251 420 N C -0.205 174.934 175.510 -0.619 0.000 1.031 420 N CA 1.063 53.391 53.050 -1.203 0.000 0.720 420 N CB -0.784 37.391 38.487 -0.521 0.000 0.930 420 N HN 1.008 nan 8.380 nan 0.000 0.543 421 G N -1.513 107.031 108.800 -0.426 0.000 2.634 421 G HA2 0.540 4.500 3.960 -0.000 0.000 0.309 421 G HA3 0.540 4.500 3.960 -0.000 0.000 0.309 421 G C -1.796 173.242 174.900 0.231 0.000 1.299 421 G CA -0.838 44.342 45.100 0.133 0.000 0.798 421 G HN 0.064 nan 8.290 nan 0.000 0.490 422 Y N 1.643 122.040 120.300 0.162 0.000 2.353 422 Y HA 0.465 5.015 4.550 -0.000 0.000 0.340 422 Y C 1.149 176.887 175.900 -0.270 0.000 0.972 422 Y CA -0.493 57.649 58.100 0.069 0.000 1.157 422 Y CB 1.720 40.217 38.460 0.063 0.000 1.157 422 Y HN 0.569 nan 8.280 nan 0.000 0.495 423 S N 2.461 117.905 115.700 -0.426 0.000 2.572 423 S HA 0.806 5.276 4.470 -0.000 0.000 0.279 423 S C -0.107 174.092 174.600 -0.668 0.000 1.341 423 S CA -0.296 57.077 58.200 -1.379 0.000 1.043 423 S CB 1.335 63.968 63.200 -0.945 0.000 0.887 423 S HN 0.873 nan 8.310 nan 0.000 0.516 424 A N 1.712 124.140 122.820 -0.652 0.000 2.586 424 A HA 0.709 5.029 4.320 -0.000 0.000 0.291 424 A C -0.210 177.346 177.584 -0.045 0.000 1.062 424 A CA -0.583 51.319 52.037 -0.224 0.000 0.666 424 A CB 0.572 19.466 19.000 -0.175 0.000 1.281 424 A HN 1.619 nan 8.150 nan 0.000 0.421 425 S N 0.630 116.249 115.700 -0.135 0.000 2.586 425 S HA 0.714 5.184 4.470 -0.000 0.000 0.274 425 S C -0.701 173.841 174.600 -0.097 0.000 1.281 425 S CA -0.279 57.852 58.200 -0.115 0.000 1.035 425 S CB 1.463 64.408 63.200 -0.425 0.000 0.962 425 S HN 0.836 nan 8.310 nan 0.000 0.512 426 D N 0.095 120.484 120.400 -0.019 0.000 2.937 426 D HA 0.375 5.015 4.640 -0.000 0.000 0.215 426 D C 0.755 176.951 176.300 -0.173 0.000 1.274 426 D CA -0.401 53.536 54.000 -0.105 0.000 0.869 426 D CB 1.983 42.732 40.800 -0.086 0.000 1.675 426 D HN 0.576 nan 8.370 nan 0.000 0.538 427 A N 3.718 126.328 122.820 -0.351 0.000 1.997 427 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 427 A C 1.794 178.796 177.584 -0.970 0.000 1.172 427 A CA 1.410 53.019 52.037 -0.715 0.000 0.645 427 A CB -0.232 18.036 19.000 -1.220 0.000 0.813 427 A HN 0.650 nan 8.150 nan 0.000 0.454 428 R N -1.070 118.972 120.500 -0.763 0.000 2.276 428 R HA 0.133 4.473 4.340 -0.000 0.000 0.203 428 R C 0.275 176.502 176.300 -0.122 0.000 1.017 428 R CA 0.757 56.599 56.100 -0.429 0.000 1.010 428 R CB -0.186 29.979 30.300 -0.225 0.000 0.900 428 R HN 0.548 nan 8.270 nan 0.000 0.469 429 V N -4.069 115.797 119.914 -0.079 0.000 3.040 429 V HA 0.787 4.907 4.120 -0.000 0.000 0.312 429 V C -0.368 175.777 176.094 0.085 0.000 1.115 429 V CA -1.627 60.693 62.300 0.033 0.000 0.998 429 V CB 1.735 33.568 31.823 0.017 0.000 1.042 429 V HN -0.014 nan 8.190 nan 0.000 0.433 430 A N 2.429 125.277 122.820 0.047 0.000 2.445 430 A HA 0.672 4.992 4.320 -0.000 0.000 0.242 430 A C -0.808 176.817 177.584 0.069 0.000 1.075 430 A CA 0.115 52.116 52.037 -0.061 0.000 0.777 430 A CB -0.058 18.602 19.000 -0.566 0.000 1.013 430 A HN 1.463 nan 8.150 nan 0.000 0.493 431 F N 1.124 121.041 119.950 -0.055 0.000 2.547 431 F HA 0.643 5.170 4.527 -0.000 0.000 0.316 431 F C 0.289 176.074 175.800 -0.025 0.000 1.121 431 F CA 0.760 58.756 58.000 -0.007 0.000 0.911 431 F CB 1.905 40.932 39.000 0.045 0.000 1.179 431 F HN 1.207 nan 8.300 nan 0.000 0.443 432 G N 2.374 110.764 108.800 -0.683 0.000 2.345 432 G HA2 0.454 4.414 3.960 -0.000 0.000 0.310 432 G HA3 0.454 4.414 3.960 -0.000 0.000 0.310 432 G C -1.455 173.234 174.900 -0.351 0.000 1.476 432 G CA -0.233 44.588 45.100 -0.465 0.000 0.978 432 G HN 1.191 nan 8.290 nan 0.000 0.656 433 G N -1.760 106.903 108.800 -0.228 0.000 3.262 433 G HA2 1.072 5.032 3.960 -0.000 0.000 0.229 433 G HA3 1.072 5.032 3.960 -0.000 0.000 0.229 433 G C -0.092 174.772 174.900 -0.060 0.000 1.280 433 G CA 0.582 45.596 45.100 -0.143 0.000 0.951 433 G HN 2.102 nan 8.290 nan 0.000 0.589 434 V N -3.787 116.109 119.914 -0.031 0.000 3.156 434 V HA 0.847 4.967 4.120 -0.000 0.000 0.311 434 V C 0.447 176.545 176.094 0.007 0.000 1.208 434 V CA -0.354 61.947 62.300 0.001 0.000 1.063 434 V CB 1.032 32.848 31.823 -0.012 0.000 1.098 434 V HN 1.110 nan 8.190 nan 0.000 0.452 435 K N -0.810 119.594 120.400 0.007 0.000 1.882 435 K HA -0.256 4.064 4.320 -0.000 0.000 0.199 435 K C 1.015 177.595 176.600 -0.033 0.000 1.562 435 K CA 1.751 58.024 56.287 -0.023 0.000 0.515 435 K CB -1.143 31.325 32.500 -0.053 0.000 0.682 435 K HN 0.832 nan 8.250 nan 0.000 0.843 436 K N 1.125 121.453 120.400 -0.120 0.000 2.525 436 K HA 0.055 4.375 4.320 -0.000 0.000 0.192 436 K C 1.486 178.079 176.600 -0.012 0.000 1.029 436 K CA 0.739 56.943 56.287 -0.140 0.000 1.029 436 K CB 0.067 32.356 32.500 -0.351 0.000 0.814 436 K HN 0.274 nan 8.250 nan 0.000 0.503 437 S N 0.534 116.271 115.700 0.061 0.000 2.555 437 S HA 0.037 4.507 4.470 -0.000 0.000 0.230 437 S C 0.968 175.554 174.600 -0.023 0.000 0.978 437 S CA 0.588 58.841 58.200 0.089 0.000 0.934 437 S CB 0.100 63.343 63.200 0.072 0.000 0.766 437 S HN 0.661 nan 8.310 nan 0.000 0.533 438 G N 1.119 109.891 108.800 -0.047 0.000 2.384 438 G HA2 0.083 4.043 3.960 -0.000 0.000 0.200 438 G HA3 0.083 4.043 3.960 -0.000 0.000 0.200 438 G C -0.949 173.915 174.900 -0.060 0.000 1.205 438 G CA -0.430 44.563 45.100 -0.178 0.000 1.116 438 G HN 0.719 nan 8.290 nan 0.000 0.547 439 F N -2.219 117.720 119.950 -0.018 0.000 2.773 439 F HA 0.798 5.325 4.527 -0.000 0.000 0.314 439 F C 0.470 176.258 175.800 -0.021 0.000 1.160 439 F CA -0.073 57.910 58.000 -0.028 0.000 0.920 439 F CB 0.970 39.956 39.000 -0.024 0.000 1.323 439 F HN 2.548 nan 8.300 nan 0.000 0.457 440 G N 1.340 110.305 108.800 0.275 0.000 2.730 440 G HA2 0.313 4.273 3.960 -0.000 0.000 0.686 440 G HA3 0.313 4.273 3.960 -0.000 0.000 0.686 440 G C -1.729 173.200 174.900 0.048 0.000 1.343 440 G CA -1.088 44.104 45.100 0.153 0.000 0.826 440 G HN 0.835 nan 8.290 nan 0.000 0.582 441 R N 0.384 120.914 120.500 0.050 0.000 2.744 441 R HA 0.609 4.949 4.340 -0.000 0.000 0.279 441 R C -0.077 176.302 176.300 0.133 0.000 0.977 441 R CA -0.731 55.386 56.100 0.028 0.000 0.906 441 R CB 1.929 32.160 30.300 -0.114 0.000 1.197 441 R HN 0.766 nan 8.270 nan 0.000 0.463 442 E N 1.577 121.883 120.200 0.177 0.000 2.249 442 E HA 0.595 4.945 4.350 -0.000 0.000 0.263 442 E C -0.177 176.566 176.600 0.238 0.000 0.950 442 E CA -0.907 55.621 56.400 0.214 0.000 0.827 442 E CB 1.679 31.504 29.700 0.208 0.000 1.220 442 E HN 0.328 nan 8.360 nan 0.000 0.411 443 L N 0.152 121.515 121.223 0.234 0.000 0.640 443 L HA -0.346 3.994 4.340 -0.000 0.000 0.356 443 L C 0.707 177.744 176.870 0.279 0.000 0.995 443 L CA 0.634 55.631 54.840 0.260 0.000 1.223 443 L CB -1.400 40.743 42.059 0.140 0.000 0.095 443 L HN 0.919 nan 8.230 nan 0.000 0.099 444 S N -0.224 115.566 115.700 0.149 0.000 3.144 444 S HA -0.321 4.149 4.470 -0.000 0.000 0.629 444 S C 1.038 175.717 174.600 0.131 0.000 2.962 444 S CA 2.044 60.318 58.200 0.123 0.000 3.700 444 S CB -0.494 62.772 63.200 0.109 0.000 0.286 444 S HN 1.524 nan 8.310 nan 0.000 1.464 445 H N -0.081 118.894 119.070 -0.158 0.000 2.547 445 H HA 0.332 4.888 4.556 -0.000 0.000 0.272 445 H C 1.657 176.657 175.328 -0.547 0.000 0.989 445 H CA 1.394 57.169 56.048 -0.455 0.000 1.214 445 H CB -0.556 28.846 29.762 -0.601 0.000 1.389 445 H HN 0.368 nan 8.280 nan 0.000 0.577 446 F N 1.394 121.190 119.950 -0.257 0.000 2.128 446 F HA 0.100 4.627 4.527 -0.000 0.000 0.295 446 F C 2.800 178.600 175.800 0.000 0.000 1.100 446 F CA 1.228 59.171 58.000 -0.094 0.000 1.260 446 F CB -0.800 38.132 39.000 -0.115 0.000 1.009 446 F HN 0.387 nan 8.300 nan 0.000 0.476 447 G N -0.077 108.859 108.800 0.226 0.000 2.448 447 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 447 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 447 G C 1.622 176.609 174.900 0.145 0.000 1.127 447 G CA 0.765 45.981 45.100 0.192 0.000 0.766 447 G HN 0.293 nan 8.290 nan 0.000 0.552 448 L N -0.455 120.809 121.223 0.069 0.000 2.095 448 L HA 0.161 4.501 4.340 -0.000 0.000 0.204 448 L C 2.506 179.445 176.870 0.115 0.000 1.080 448 L CA 1.627 56.485 54.840 0.029 0.000 0.759 448 L CB -0.319 41.711 42.059 -0.048 0.000 0.914 448 L HN 0.389 nan 8.230 nan 0.000 0.439 449 H N -1.658 117.462 119.070 0.083 0.000 2.535 449 H HA 0.033 4.589 4.556 -0.000 0.000 0.273 449 H C 1.651 177.020 175.328 0.069 0.000 0.983 449 H CA 0.296 56.398 56.048 0.091 0.000 1.238 449 H CB 0.415 30.227 29.762 0.083 0.000 1.412 449 H HN 0.315 nan 8.280 nan 0.000 0.562 450 E N 0.771 121.018 120.200 0.079 0.000 2.160 450 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 450 E C 0.153 176.438 176.600 -0.524 0.000 0.991 450 E CA 1.021 57.264 56.400 -0.261 0.000 0.810 450 E CB 0.028 29.445 29.700 -0.472 0.000 0.742 450 E HN 0.487 nan 8.360 nan 0.000 0.466 451 F N -0.355 119.694 119.950 0.166 0.000 2.923 451 F HA 0.185 4.712 4.527 -0.000 0.000 0.314 451 F C 0.215 176.108 175.800 0.155 0.000 1.196 451 F CA -0.531 57.550 58.000 0.135 0.000 1.320 451 F CB 0.302 39.367 39.000 0.108 0.000 0.953 451 F HN -0.195 nan 8.300 nan 0.000 0.505 452 C N 0.554 120.008 119.300 0.258 0.000 2.391 452 C HA 0.399 4.859 4.460 -0.000 0.000 0.339 452 C C 0.556 175.652 174.990 0.176 0.000 1.205 452 C CA -1.031 58.142 59.018 0.257 0.000 1.937 452 C CB 1.035 28.987 27.740 0.353 0.000 2.341 452 C HN 0.434 nan 8.230 nan 0.000 0.516 453 N N 1.674 120.463 118.700 0.149 0.000 2.439 453 N HA 0.187 4.927 4.740 -0.000 0.000 0.243 453 N C -0.703 174.824 175.510 0.029 0.000 1.088 453 N CA -0.008 53.094 53.050 0.086 0.000 0.940 453 N CB 0.557 39.098 38.487 0.090 0.000 1.180 453 N HN 0.421 nan 8.380 nan 0.000 0.505 454 V N 4.306 124.205 119.914 -0.025 0.000 2.415 454 V HA 0.119 4.239 4.120 -0.000 0.000 0.267 454 V C 0.407 176.414 176.094 -0.146 0.000 1.042 454 V CA -0.097 62.094 62.300 -0.182 0.000 1.000 454 V CB 0.316 32.035 31.823 -0.175 0.000 1.015 454 V HN 0.648 nan 8.190 nan 0.000 0.478 455 Q N 3.573 123.267 119.800 -0.176 0.000 2.325 455 Q HA 0.351 4.691 4.340 -0.000 0.000 0.270 455 Q C -0.548 175.393 176.000 -0.097 0.000 1.020 455 Q CA -0.524 55.225 55.803 -0.091 0.000 0.785 455 Q CB 1.714 30.425 28.738 -0.045 0.000 1.259 455 Q HN 0.718 nan 8.270 nan 0.000 0.452 456 T N 2.601 117.125 114.554 -0.049 0.000 2.851 456 T HA 0.275 4.625 4.350 -0.000 0.000 0.298 456 T C -0.506 174.211 174.700 0.029 0.000 0.977 456 T CA -0.127 61.962 62.100 -0.018 0.000 1.126 456 T CB 0.690 69.585 68.868 0.045 0.000 0.916 456 T HN 0.353 nan 8.240 nan 0.000 0.529 457 V N 4.875 124.804 119.914 0.025 0.000 2.409 457 V HA 0.402 4.522 4.120 -0.000 0.000 0.290 457 V C -0.988 175.184 176.094 0.131 0.000 1.017 457 V CA -0.994 61.346 62.300 0.067 0.000 0.841 457 V CB 1.475 33.313 31.823 0.025 0.000 1.003 457 V HN 0.817 nan 8.190 nan 0.000 0.426 458 W N 5.927 127.211 121.300 -0.026 0.000 2.554 458 W HA 0.577 5.237 4.660 -0.000 0.000 0.324 458 W C -0.621 175.887 176.519 -0.017 0.000 1.018 458 W CA -1.562 55.770 57.345 -0.022 0.000 1.243 458 W CB 1.828 31.274 29.460 -0.022 0.000 1.345 458 W HN 0.468 nan 8.180 nan 0.000 0.441 459 K N 4.183 124.821 120.400 0.397 0.000 2.130 459 K HA 0.241 4.561 4.320 -0.000 0.000 0.268 459 K C 0.271 177.014 176.600 0.238 0.000 0.983 459 K CA -0.575 55.847 56.287 0.225 0.000 0.893 459 K CB 0.922 33.500 32.500 0.130 0.000 1.066 459 K HN 0.536 nan 8.250 nan 0.000 0.450 460 N N 1.175 119.933 118.700 0.097 0.000 2.727 460 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 460 N C -0.749 174.780 175.510 0.032 0.000 1.048 460 N CA 0.299 53.382 53.050 0.055 0.000 0.714 460 N CB -0.904 37.626 38.487 0.072 0.000 0.959 460 N HN 0.445 nan 8.380 nan 0.000 0.544 461 R N 1.373 121.792 120.500 -0.135 0.000 2.351 461 R HA 0.311 4.651 4.340 -0.000 0.000 0.321 461 R C -0.034 176.138 176.300 -0.212 0.000 1.182 461 R CA -0.214 55.681 56.100 -0.342 0.000 1.011 461 R CB 0.122 29.789 30.300 -1.054 0.000 1.048 461 R HN 0.217 nan 8.270 nan 0.000 0.490 462 V N 0.000 119.856 119.914 -0.096 0.000 2.409 462 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 462 V CA 0.000 62.259 62.300 -0.069 0.000 1.235 462 V CB 0.000 31.800 31.823 -0.039 0.000 1.184 462 V HN 0.000 nan 8.190 nan 0.000 0.556