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 3efv_1_D 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 0.000 177.744 177.584 0.266 0.000 1.274 6 A CA 0.000 52.127 52.037 0.150 0.000 0.836 6 A CB 0.000 19.018 19.000 0.030 0.000 0.831 7 T N -1.241 113.381 114.554 0.112 0.000 3.148 7 T HA 0.272 4.622 4.350 0.000 0.000 0.253 7 T C 0.223 174.703 174.700 -0.367 0.000 1.134 7 T CA 0.875 63.027 62.100 0.086 0.000 1.051 7 T CB -0.181 68.713 68.868 0.044 0.000 0.959 7 T HN 0.526 nan 8.240 nan 0.000 0.525 8 Q N 0.587 120.094 119.800 -0.489 0.000 2.394 8 Q HA 0.690 5.030 4.340 0.000 0.000 0.273 8 Q C -1.024 174.428 176.000 -0.913 0.000 1.089 8 Q CA -0.813 54.559 55.803 -0.718 0.000 0.812 8 Q CB 2.250 30.787 28.738 -0.335 0.000 1.353 8 Q HN 0.325 nan 8.270 nan 0.000 0.438 9 A N 2.155 124.324 122.820 -1.086 0.000 2.454 9 A HA 0.387 4.708 4.320 0.000 0.000 0.260 9 A C -0.558 176.881 177.584 -0.242 0.000 1.106 9 A CA -0.192 51.510 52.037 -0.559 0.000 0.780 9 A CB -0.065 18.736 19.000 -0.331 0.000 1.044 9 A HN 0.519 nan 8.150 nan 0.000 0.498 10 L N 2.915 124.070 121.223 -0.113 0.000 2.313 10 L HA 0.551 4.892 4.340 0.000 0.000 0.283 10 L C -0.069 176.781 176.870 -0.034 0.000 1.013 10 L CA 0.296 55.094 54.840 -0.071 0.000 0.816 10 L CB 1.949 43.978 42.059 -0.050 0.000 1.236 10 L HN 0.524 nan 8.230 nan 0.000 0.419 11 S N 3.714 119.394 115.700 -0.034 0.000 2.457 11 S HA 0.762 5.233 4.470 0.000 0.000 0.289 11 S C -0.735 173.853 174.600 -0.020 0.000 1.163 11 S CA -0.540 57.643 58.200 -0.027 0.000 1.078 11 S CB 1.395 64.579 63.200 -0.027 0.000 0.987 11 S HN 0.420 nan 8.310 nan 0.000 0.482 12 V N 3.734 123.641 119.914 -0.012 0.000 2.686 12 V HA 0.358 4.478 4.120 0.000 0.000 0.306 12 V C -0.220 175.880 176.094 0.011 0.000 1.065 12 V CA -1.091 61.217 62.300 0.013 0.000 0.894 12 V CB 2.069 33.923 31.823 0.053 0.000 1.004 12 V HN 0.820 nan 8.190 nan 0.000 0.424 13 N N 6.990 125.698 118.700 0.013 0.000 2.416 13 N HA 0.172 4.913 4.740 0.000 0.000 0.265 13 N C -1.373 174.139 175.510 0.002 0.000 1.195 13 N CA -1.612 51.433 53.050 -0.008 0.000 0.943 13 N CB 1.739 40.225 38.487 -0.002 0.000 1.115 13 N HN 0.357 nan 8.380 nan 0.000 0.481 14 P HA -0.041 nan 4.420 nan 0.000 0.230 14 P C 0.618 177.768 177.300 -0.250 0.000 1.158 14 P CA 0.582 63.548 63.100 -0.223 0.000 0.769 14 P CB 0.276 31.738 31.700 -0.396 0.000 0.807 15 A N 0.390 123.116 122.820 -0.158 0.000 2.016 15 A HA -0.040 4.280 4.320 0.000 0.000 0.217 15 A C 2.093 179.716 177.584 0.066 0.000 1.162 15 A CA 2.058 54.042 52.037 -0.089 0.000 0.662 15 A CB -1.258 17.742 19.000 -0.001 0.000 0.812 15 A HN 0.371 nan 8.150 nan 0.000 0.450 16 T N -6.330 108.264 114.554 0.066 0.000 2.959 16 T HA 0.423 4.773 4.350 0.000 0.000 0.254 16 T C 1.417 176.184 174.700 0.113 0.000 1.003 16 T CA 1.110 63.264 62.100 0.090 0.000 0.950 16 T CB 0.355 69.255 68.868 0.055 0.000 1.090 16 T HN 1.636 nan 8.240 nan 0.000 0.503 17 G N 1.621 110.523 108.800 0.170 0.000 2.184 17 G HA2 -0.217 3.743 3.960 0.000 0.000 0.264 17 G HA3 -0.217 3.743 3.960 0.000 0.000 0.264 17 G C -0.113 174.813 174.900 0.043 0.000 0.975 17 G CA 0.116 45.317 45.100 0.169 0.000 0.642 17 G HN 0.667 nan 8.290 nan 0.000 0.536 18 Q N 0.930 120.755 119.800 0.040 0.000 2.230 18 Q HA 0.503 4.843 4.340 0.000 0.000 0.253 18 Q C 0.366 176.367 176.000 0.002 0.000 0.919 18 Q CA -0.185 55.623 55.803 0.008 0.000 0.908 18 Q CB 1.116 29.859 28.738 0.008 0.000 1.245 18 Q HN 0.239 nan 8.270 nan 0.000 0.437 19 T N 2.875 117.421 114.554 -0.013 0.000 2.928 19 T HA 0.111 4.462 4.350 0.000 0.000 0.305 19 T C 1.429 176.121 174.700 -0.013 0.000 1.035 19 T CA 0.224 62.314 62.100 -0.017 0.000 1.145 19 T CB 0.316 69.168 68.868 -0.026 0.000 0.963 19 T HN 0.410 nan 8.240 nan 0.000 0.545 20 L N 1.687 122.902 121.223 -0.015 0.000 2.349 20 L HA 0.515 4.855 4.340 0.000 0.000 0.200 20 L C 1.077 177.937 176.870 -0.017 0.000 1.064 20 L CA 0.180 55.011 54.840 -0.014 0.000 0.821 20 L CB -0.003 42.047 42.059 -0.015 0.000 1.027 20 L HN 0.752 nan 8.230 nan 0.000 0.476 21 A N -0.947 121.860 122.820 -0.023 0.000 2.567 21 A HA 0.794 5.114 4.320 0.000 0.000 0.291 21 A C -1.655 175.904 177.584 -0.042 0.000 1.048 21 A CA 0.081 52.103 52.037 -0.026 0.000 0.661 21 A CB 0.851 19.842 19.000 -0.015 0.000 1.288 21 A HN 0.049 nan 8.150 nan 0.000 0.424 25 W N 1.323 122.623 121.300 -0.001 0.000 2.170 25 W HA 0.471 5.131 4.660 0.000 0.000 0.342 25 W C 0.894 177.392 176.519 -0.036 0.000 1.294 25 W CA -0.478 56.861 57.345 -0.011 0.000 1.246 25 W CB 0.411 29.868 29.460 -0.004 0.000 1.156 25 W HN 0.519 nan 8.180 nan 0.000 0.572 26 A N 3.597 126.547 122.820 0.217 0.000 2.546 26 A HA 0.059 4.379 4.320 0.000 0.000 0.243 26 A C 0.273 177.902 177.584 0.075 0.000 1.063 26 A CA -0.348 51.731 52.037 0.070 0.000 0.757 26 A CB -0.391 18.610 19.000 0.002 0.000 0.991 26 A HN 0.683 nan 8.150 nan 0.000 0.503 27 N N 1.999 120.722 118.700 0.039 0.000 2.364 27 N HA 0.470 5.210 4.740 0.000 0.000 0.264 27 N C 1.066 176.582 175.510 0.011 0.000 1.263 27 N CA 0.059 53.126 53.050 0.030 0.000 0.959 27 N CB 0.306 38.805 38.487 0.020 0.000 1.204 27 N HN 0.520 nan 8.380 nan 0.000 0.550 28 A N -0.631 122.193 122.820 0.007 0.000 1.892 28 A HA -0.289 4.031 4.320 0.000 0.000 0.218 28 A C 2.077 179.662 177.584 0.002 0.000 1.188 28 A CA 2.053 54.090 52.037 0.000 0.000 0.631 28 A CB -1.258 17.742 19.000 -0.000 0.000 0.822 28 A HN 0.866 nan 8.150 nan 0.000 0.447 29 Q N -0.540 119.262 119.800 0.004 0.000 2.084 29 Q HA -0.241 4.099 4.340 0.000 0.000 0.202 29 Q C 1.909 177.924 176.000 0.024 0.000 0.978 29 Q CA 1.942 57.750 55.803 0.009 0.000 0.844 29 Q CB -0.145 28.590 28.738 -0.005 0.000 0.898 29 Q HN 0.798 nan 8.270 nan 0.000 0.426 30 E N 0.058 120.262 120.200 0.007 0.000 2.106 30 E HA -0.142 4.208 4.350 0.000 0.000 0.192 30 E C 1.982 178.590 176.600 0.013 0.000 0.984 30 E CA 1.134 57.540 56.400 0.009 0.000 0.806 30 E CB -0.009 29.672 29.700 -0.032 0.000 0.750 30 E HN 0.411 nan 8.360 nan 0.000 0.458 31 I N 0.978 121.542 120.570 -0.009 0.000 2.179 31 I HA -0.255 3.915 4.170 0.000 0.000 0.242 31 I C 2.535 178.638 176.117 -0.024 0.000 1.088 31 I CA 1.120 62.403 61.300 -0.029 0.000 1.357 31 I CB -0.065 37.916 38.000 -0.032 0.000 1.051 31 I HN 0.055 nan 8.210 nan 0.000 0.409 32 E N 0.600 120.799 120.200 -0.001 0.000 2.077 32 E HA -0.310 4.040 4.350 0.000 0.000 0.193 32 E C 2.213 178.820 176.600 0.011 0.000 0.989 32 E CA 1.665 58.066 56.400 0.002 0.000 0.800 32 E CB -0.386 29.323 29.700 0.015 0.000 0.746 32 E HN 0.510 nan 8.360 nan 0.000 0.452 33 H N -0.345 118.699 119.070 -0.043 0.000 2.353 33 H HA -0.091 4.465 4.556 0.000 0.000 0.300 33 H C 1.749 177.044 175.328 -0.054 0.000 1.090 33 H CA 1.742 57.765 56.048 -0.043 0.000 1.327 33 H CB -0.063 29.671 29.762 -0.046 0.000 1.383 33 H HN 0.299 nan 8.280 nan 0.000 0.508 34 A N 1.269 123.998 122.820 -0.151 0.000 1.902 34 A HA -0.101 4.219 4.320 0.000 0.000 0.217 34 A C 2.822 180.290 177.584 -0.195 0.000 1.181 34 A CA 1.265 53.178 52.037 -0.207 0.000 0.623 34 A CB -0.822 18.094 19.000 -0.140 0.000 0.818 34 A HN 0.424 nan 8.150 nan 0.000 0.443 35 L N -0.839 120.302 121.223 -0.137 0.000 2.056 35 L HA -0.135 4.205 4.340 0.000 0.000 0.207 35 L C 2.944 179.752 176.870 -0.103 0.000 1.078 35 L CA 1.485 56.260 54.840 -0.109 0.000 0.749 35 L CB -0.419 41.594 42.059 -0.078 0.000 0.901 35 L HN 0.512 nan 8.230 nan 0.000 0.433 36 S N 0.093 115.726 115.700 -0.111 0.000 2.368 36 S HA -0.181 4.289 4.470 0.000 0.000 0.224 36 S C 1.950 176.484 174.600 -0.109 0.000 1.029 36 S CA 1.158 59.307 58.200 -0.085 0.000 0.988 36 S CB -0.182 62.982 63.200 -0.060 0.000 0.838 36 S HN 0.256 nan 8.310 nan 0.000 0.462 37 L N 1.819 122.908 121.223 -0.222 0.000 2.056 37 L HA 0.187 4.528 4.340 0.000 0.000 0.207 37 L C 2.568 179.376 176.870 -0.103 0.000 1.078 37 L CA 1.941 56.661 54.840 -0.199 0.000 0.749 37 L CB -1.262 40.582 42.059 -0.360 0.000 0.901 37 L HN 0.350 nan 8.230 nan 0.000 0.433 38 A N -0.576 122.178 122.820 -0.111 0.000 1.908 38 A HA -0.147 4.173 4.320 0.000 0.000 0.218 38 A C 2.438 180.037 177.584 0.025 0.000 1.181 38 A CA 1.915 53.916 52.037 -0.060 0.000 0.627 38 A CB -1.134 17.806 19.000 -0.099 0.000 0.818 38 A HN 0.542 nan 8.150 nan 0.000 0.445 39 A N 0.168 122.999 122.820 0.019 0.000 1.898 39 A HA -0.059 4.261 4.320 0.000 0.000 0.216 39 A C 2.515 180.185 177.584 0.144 0.000 1.181 39 A CA 2.278 54.374 52.037 0.098 0.000 0.620 39 A CB -0.899 18.132 19.000 0.051 0.000 0.819 39 A HN 0.962 nan 8.150 nan 0.000 0.442 40 S N -0.458 115.285 115.700 0.071 0.000 2.387 40 S HA 0.054 4.524 4.470 0.000 0.000 0.226 40 S C 2.052 176.700 174.600 0.079 0.000 1.026 40 S CA 1.175 59.414 58.200 0.065 0.000 0.972 40 S CB -1.104 62.115 63.200 0.032 0.000 0.814 40 S HN 0.643 nan 8.310 nan 0.000 0.477 41 G N 1.209 110.053 108.800 0.074 0.000 2.446 41 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 41 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 41 G C 1.204 176.208 174.900 0.172 0.000 1.168 41 G CA 0.947 46.095 45.100 0.080 0.000 0.771 41 G HN 0.527 nan 8.290 nan 0.000 0.551 42 F N 1.604 121.599 119.950 0.075 0.000 2.134 42 F HA 0.004 4.531 4.527 0.000 0.000 0.299 42 F C 2.518 178.415 175.800 0.161 0.000 1.097 42 F CA 1.987 60.078 58.000 0.151 0.000 1.264 42 F CB -0.211 38.849 39.000 0.100 0.000 1.001 42 F HN 0.139 nan 8.300 nan 0.000 0.479 43 K N 0.330 120.712 120.400 -0.030 0.000 2.103 43 K HA -0.218 4.102 4.320 0.000 0.000 0.207 43 K C 1.991 178.507 176.600 -0.140 0.000 1.048 43 K CA 1.818 58.018 56.287 -0.144 0.000 0.930 43 K CB -0.047 32.460 32.500 0.012 0.000 0.716 43 K HN 0.322 nan 8.250 nan 0.000 0.444 44 K N -0.637 119.748 120.400 -0.024 0.000 2.128 44 K HA -0.100 4.220 4.320 0.000 0.000 0.202 44 K C 1.922 178.558 176.600 0.061 0.000 1.050 44 K CA 0.924 57.224 56.287 0.021 0.000 0.966 44 K CB -0.314 32.232 32.500 0.077 0.000 0.759 44 K HN 0.327 nan 8.250 nan 0.000 0.454 45 W N 4.944 126.179 121.300 -0.109 0.000 2.338 45 W HA -0.169 4.491 4.660 0.000 0.000 0.304 45 W C 0.605 177.051 176.519 -0.123 0.000 1.212 45 W CA 1.194 58.498 57.345 -0.067 0.000 1.264 45 W CB 0.180 29.650 29.460 0.017 0.000 1.142 45 W HN -0.002 nan 8.180 nan 0.000 0.512 49 S N 0.477 116.077 115.700 -0.168 0.000 2.576 49 S HA 0.371 4.841 4.470 0.000 0.000 0.276 49 S C 1.575 176.069 174.600 -0.176 0.000 1.339 49 S CA -0.253 57.865 58.200 -0.136 0.000 1.039 49 S CB 0.863 64.009 63.200 -0.090 0.000 0.902 49 S HN 0.882 nan 8.310 nan 0.000 0.516 50 V N 2.545 122.380 119.914 -0.131 0.000 2.392 50 V HA -0.227 3.893 4.120 0.000 0.000 0.249 50 V C 2.902 178.938 176.094 -0.098 0.000 1.059 50 V CA 2.352 64.582 62.300 -0.118 0.000 1.051 50 V CB -1.803 29.986 31.823 -0.057 0.000 0.658 50 V HN 1.042 nan 8.190 nan 0.000 0.455 51 A N -0.372 122.401 122.820 -0.077 0.000 1.972 51 A HA -0.277 4.043 4.320 0.000 0.000 0.219 51 A C 2.190 179.741 177.584 -0.053 0.000 1.169 51 A CA 2.002 54.006 52.037 -0.056 0.000 0.635 51 A CB -0.479 18.493 19.000 -0.046 0.000 0.810 51 A HN 0.552 nan 8.150 nan 0.000 0.446 52 Q N 0.272 120.024 119.800 -0.080 0.000 2.084 52 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 52 Q C 2.113 178.075 176.000 -0.062 0.000 0.978 52 Q CA 1.929 57.692 55.803 -0.067 0.000 0.844 52 Q CB -0.307 28.375 28.738 -0.094 0.000 0.898 52 Q HN 0.675 nan 8.270 nan 0.000 0.426 53 R N -0.330 120.063 120.500 -0.177 0.000 2.092 53 R HA -0.003 4.337 4.340 0.000 0.000 0.231 53 R C 2.290 178.631 176.300 0.068 0.000 1.119 53 R CA 1.038 57.063 56.100 -0.124 0.000 0.970 53 R CB -0.561 29.533 30.300 -0.344 0.000 0.864 53 R HN 0.341 nan 8.270 nan 0.000 0.440 54 A N 1.266 124.097 122.820 0.018 0.000 1.908 54 A HA -0.264 4.056 4.320 0.000 0.000 0.218 54 A C 2.164 179.781 177.584 0.054 0.000 1.181 54 A CA 1.594 53.656 52.037 0.042 0.000 0.627 54 A CB -0.432 18.570 19.000 0.003 0.000 0.818 54 A HN 0.212 nan 8.150 nan 0.000 0.445 55 Q N -0.291 119.533 119.800 0.041 0.000 2.124 55 Q HA -0.110 4.230 4.340 0.000 0.000 0.202 55 Q C 1.973 178.022 176.000 0.081 0.000 0.977 55 Q CA 2.485 58.317 55.803 0.047 0.000 0.850 55 Q CB -0.971 27.788 28.738 0.034 0.000 0.901 55 Q HN 0.573 nan 8.270 nan 0.000 0.429 56 T N 1.048 115.680 114.554 0.130 0.000 2.720 56 T HA -0.120 4.230 4.350 0.000 0.000 0.268 56 T C 1.673 176.449 174.700 0.127 0.000 1.037 56 T CA 1.367 63.569 62.100 0.170 0.000 1.144 56 T CB -0.261 68.812 68.868 0.342 0.000 0.864 56 T HN 0.242 nan 8.240 nan 0.000 0.444 57 L N 0.475 121.778 121.223 0.132 0.000 2.042 57 L HA -0.139 4.201 4.340 0.000 0.000 0.210 57 L C 2.894 179.812 176.870 0.080 0.000 1.076 57 L CA 1.532 56.433 54.840 0.102 0.000 0.749 57 L CB -0.555 41.577 42.059 0.122 0.000 0.893 57 L HN 0.218 nan 8.230 nan 0.000 0.432 58 R N -0.078 120.465 120.500 0.072 0.000 2.096 58 R HA -0.155 4.186 4.340 0.000 0.000 0.235 58 R C 1.863 178.193 176.300 0.050 0.000 1.127 58 R CA 1.494 57.628 56.100 0.057 0.000 0.968 58 R CB -0.447 29.878 30.300 0.040 0.000 0.861 58 R HN 0.396 nan 8.270 nan 0.000 0.440 59 D N 0.788 121.219 120.400 0.052 0.000 2.144 59 D HA -0.106 4.534 4.640 0.000 0.000 0.200 59 D C 1.936 178.258 176.300 0.037 0.000 0.978 59 D CA 1.018 55.045 54.000 0.045 0.000 0.833 59 D CB -0.151 40.680 40.800 0.052 0.000 0.961 59 D HN 0.216 nan 8.370 nan 0.000 0.470 60 I N 1.063 121.651 120.570 0.029 0.000 2.179 60 I HA -0.172 3.998 4.170 0.000 0.000 0.242 60 I C 2.574 178.701 176.117 0.017 0.000 1.088 60 I CA 1.362 62.663 61.300 0.001 0.000 1.357 60 I CB -0.489 37.491 38.000 -0.033 0.000 1.051 60 I HN 0.019 nan 8.210 nan 0.000 0.409 61 G N -0.171 108.652 108.800 0.037 0.000 2.446 61 G HA2 -0.334 3.626 3.960 0.000 0.000 0.217 61 G HA3 -0.334 3.626 3.960 0.000 0.000 0.217 61 G C 1.559 176.487 174.900 0.045 0.000 1.168 61 G CA 0.835 45.965 45.100 0.050 0.000 0.771 61 G HN 0.422 nan 8.290 nan 0.000 0.551 62 Q N 0.128 119.953 119.800 0.041 0.000 2.084 62 Q HA -0.034 4.306 4.340 0.000 0.000 0.202 62 Q C 2.811 178.836 176.000 0.041 0.000 0.978 62 Q CA 1.593 57.417 55.803 0.034 0.000 0.844 62 Q CB -0.308 28.448 28.738 0.031 0.000 0.898 62 Q HN 0.417 nan 8.270 nan 0.000 0.426 63 A N 0.732 123.586 122.820 0.057 0.000 1.898 63 A HA -0.128 4.192 4.320 0.000 0.000 0.216 63 A C 2.063 179.737 177.584 0.150 0.000 1.181 63 A CA 1.062 53.164 52.037 0.108 0.000 0.620 63 A CB -0.665 18.391 19.000 0.093 0.000 0.819 63 A HN 0.443 nan 8.150 nan 0.000 0.442 64 L N -0.970 120.302 121.223 0.081 0.000 2.042 64 L HA -0.210 4.130 4.340 0.000 0.000 0.210 64 L C 2.834 179.750 176.870 0.077 0.000 1.076 64 L CA 1.543 56.430 54.840 0.077 0.000 0.749 64 L CB -0.491 41.594 42.059 0.043 0.000 0.893 64 L HN 0.361 nan 8.230 nan 0.000 0.432 65 R N -0.166 120.363 120.500 0.049 0.000 2.115 65 R HA -0.047 4.293 4.340 0.000 0.000 0.226 65 R C 2.360 178.652 176.300 -0.013 0.000 1.100 65 R CA 1.043 57.158 56.100 0.024 0.000 0.980 65 R CB -0.359 29.953 30.300 0.019 0.000 0.875 65 R HN 0.326 nan 8.270 nan 0.000 0.445 66 A N 0.599 123.393 122.820 -0.043 0.000 2.067 66 A HA -0.116 4.204 4.320 0.000 0.000 0.219 66 A C 0.986 178.349 177.584 -0.369 0.000 1.158 66 A CA 1.022 52.946 52.037 -0.187 0.000 0.661 66 A CB -0.170 18.700 19.000 -0.217 0.000 0.801 66 A HN 0.309 nan 8.150 nan 0.000 0.452 67 H N -1.481 117.591 119.070 0.005 0.000 2.475 67 H HA 0.452 5.008 4.556 0.000 0.000 0.276 67 H C 1.737 177.069 175.328 0.006 0.000 1.126 67 H CA 0.393 56.444 56.048 0.004 0.000 1.023 67 H CB 0.109 29.871 29.762 0.000 0.000 1.669 67 H HN 0.502 nan 8.280 nan 0.000 0.573 68 A N 1.028 123.884 122.820 0.061 0.000 1.902 68 A HA -0.209 4.111 4.320 0.000 0.000 0.217 68 A C 2.306 179.918 177.584 0.046 0.000 1.181 68 A CA 1.954 54.023 52.037 0.052 0.000 0.623 68 A CB -0.006 19.011 19.000 0.029 0.000 0.818 68 A HN 0.307 nan 8.150 nan 0.000 0.443 69 E N 0.552 120.772 120.200 0.034 0.000 2.107 69 E HA -0.051 4.299 4.350 0.000 0.000 0.191 69 E C 1.214 177.836 176.600 0.037 0.000 0.982 69 E CA 0.784 57.201 56.400 0.028 0.000 0.809 69 E CB -0.204 29.505 29.700 0.016 0.000 0.756 69 E HN 0.686 nan 8.360 nan 0.000 0.459 73 Q N -0.120 119.691 119.800 0.017 0.000 2.124 73 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 73 Q C 2.192 178.194 176.000 0.004 0.000 0.977 73 Q CA 1.803 57.612 55.803 0.010 0.000 0.850 73 Q CB -0.699 28.046 28.738 0.012 0.000 0.901 73 Q HN 0.769 nan 8.270 nan 0.000 0.429 74 C N 0.442 119.745 119.300 0.005 0.000 2.429 74 C HA -0.115 4.346 4.460 0.000 0.000 0.277 74 C C 2.754 177.739 174.990 -0.009 0.000 1.262 74 C CA 0.313 59.328 59.018 -0.006 0.000 1.733 74 C CB -1.082 26.652 27.740 -0.010 0.000 2.010 74 C HN 0.446 nan 8.230 nan 0.000 0.483 75 I N 0.314 120.886 120.570 0.003 0.000 2.127 75 I HA -0.214 3.956 4.170 0.000 0.000 0.241 75 I C 2.656 178.769 176.117 -0.007 0.000 1.075 75 I CA 2.208 63.513 61.300 0.008 0.000 1.334 75 I CB -0.871 37.148 38.000 0.031 0.000 1.040 75 I HN 0.333 nan 8.210 nan 0.000 0.405 76 T N 0.125 114.673 114.554 -0.009 0.000 2.708 76 T HA -0.233 4.117 4.350 0.000 0.000 0.266 76 T C 2.013 176.694 174.700 -0.031 0.000 1.037 76 T CA 1.487 63.574 62.100 -0.021 0.000 1.146 76 T CB -0.305 68.556 68.868 -0.012 0.000 0.865 76 T HN 0.290 nan 8.240 nan 0.000 0.435 77 R N 1.035 121.521 120.500 -0.023 0.000 2.081 77 R HA -0.032 4.308 4.340 0.000 0.000 0.235 77 R C 1.042 177.319 176.300 -0.039 0.000 1.131 77 R CA 1.112 57.197 56.100 -0.025 0.000 0.960 77 R CB 0.038 30.329 30.300 -0.015 0.000 0.856 77 R HN 0.488 nan 8.270 nan 0.000 0.436 81 K N 1.745 122.104 120.400 -0.069 0.000 2.484 81 K HA 0.293 4.614 4.320 0.000 0.000 0.280 81 K C -2.283 174.294 176.600 -0.037 0.000 1.013 81 K CA -1.120 55.131 56.287 -0.061 0.000 1.029 81 K CB 0.541 32.996 32.500 -0.074 0.000 0.902 81 K HN -0.070 nan 8.250 nan 0.000 0.481 82 P HA -0.125 nan 4.420 nan 0.000 0.263 82 P C 0.404 177.699 177.300 -0.009 0.000 1.175 82 P CA 0.116 63.211 63.100 -0.009 0.000 0.761 82 P CB 0.402 32.099 31.700 -0.004 0.000 0.794 83 I N 4.529 125.097 120.570 -0.003 0.000 2.361 83 I HA -0.230 3.941 4.170 0.000 0.000 0.251 83 I C 2.040 178.157 176.117 -0.000 0.000 1.133 83 I CA 1.693 62.992 61.300 -0.001 0.000 1.413 83 I CB -0.404 37.597 38.000 0.001 0.000 1.073 83 I HN 0.310 nan 8.210 nan 0.000 0.424 84 K N -0.052 120.346 120.400 -0.003 0.000 2.103 84 K HA -0.239 4.082 4.320 0.000 0.000 0.207 84 K C 2.028 178.627 176.600 -0.002 0.000 1.048 84 K CA 1.806 58.090 56.287 -0.004 0.000 0.930 84 K CB -0.120 32.375 32.500 -0.008 0.000 0.716 84 K HN 0.502 nan 8.250 nan 0.000 0.444 85 Q N -0.616 119.184 119.800 -0.001 0.000 2.212 85 Q HA 0.015 4.356 4.340 0.000 0.000 0.199 85 Q C 2.043 178.053 176.000 0.017 0.000 0.950 85 Q CA 0.846 56.652 55.803 0.005 0.000 0.863 85 Q CB 0.115 28.852 28.738 -0.001 0.000 0.944 85 Q HN 0.394 nan 8.270 nan 0.000 0.465 86 A N 1.410 124.236 122.820 0.010 0.000 1.930 86 A HA -0.189 4.131 4.320 0.000 0.000 0.217 86 A C 1.978 179.584 177.584 0.036 0.000 1.175 86 A CA 1.181 53.233 52.037 0.025 0.000 0.627 86 A CB -0.291 18.718 19.000 0.014 0.000 0.815 86 A HN 0.190 nan 8.150 nan 0.000 0.443 87 R N -0.417 120.096 120.500 0.021 0.000 2.081 87 R HA -0.044 4.296 4.340 0.000 0.000 0.235 87 R C 2.422 178.732 176.300 0.017 0.000 1.131 87 R CA 1.209 57.321 56.100 0.020 0.000 0.960 87 R CB -0.460 29.846 30.300 0.010 0.000 0.856 87 R HN 0.493 nan 8.270 nan 0.000 0.436 88 A N 1.097 123.921 122.820 0.007 0.000 1.969 88 A HA -0.208 4.112 4.320 0.000 0.000 0.218 88 A C 2.043 179.618 177.584 -0.015 0.000 1.169 88 A CA 1.402 53.431 52.037 -0.014 0.000 0.635 88 A CB -0.380 18.604 19.000 -0.027 0.000 0.810 88 A HN 0.428 nan 8.150 nan 0.000 0.445 89 E N -0.049 120.172 120.200 0.035 0.000 2.077 89 E HA -0.138 4.212 4.350 0.000 0.000 0.193 89 E C 1.797 178.456 176.600 0.097 0.000 0.989 89 E CA 1.494 57.945 56.400 0.085 0.000 0.800 89 E CB -0.119 29.708 29.700 0.211 0.000 0.746 89 E HN 0.333 nan 8.360 nan 0.000 0.452 90 V N 0.783 120.746 119.914 0.082 0.000 2.358 90 V HA -0.240 3.880 4.120 0.000 0.000 0.246 90 V C 2.389 178.522 176.094 0.065 0.000 1.047 90 V CA 2.144 64.493 62.300 0.082 0.000 1.035 90 V CB -0.785 31.076 31.823 0.063 0.000 0.658 90 V HN 0.373 nan 8.190 nan 0.000 0.452 91 T N -0.411 114.163 114.554 0.034 0.000 2.684 91 T HA -0.265 4.085 4.350 0.000 0.000 0.267 91 T C 1.963 176.674 174.700 0.018 0.000 1.036 91 T CA 1.937 64.049 62.100 0.020 0.000 1.148 91 T CB -0.213 68.652 68.868 -0.004 0.000 0.863 91 T HN 0.437 nan 8.240 nan 0.000 0.436 92 K N 0.675 121.058 120.400 -0.027 0.000 2.097 92 K HA -0.056 4.264 4.320 0.000 0.000 0.206 92 K C 2.549 179.212 176.600 0.106 0.000 1.049 92 K CA 1.249 57.485 56.287 -0.085 0.000 0.933 92 K CB -0.097 32.180 32.500 -0.371 0.000 0.717 92 K HN 0.156 nan 8.250 nan 0.000 0.442 93 S N 0.401 116.227 115.700 0.210 0.000 2.368 93 S HA -0.096 4.374 4.470 0.000 0.000 0.224 93 S C 1.979 176.701 174.600 0.204 0.000 1.029 93 S CA 1.098 59.498 58.200 0.334 0.000 0.988 93 S CB -0.161 63.204 63.200 0.276 0.000 0.838 93 S HN 0.511 nan 8.310 nan 0.000 0.462 94 A N 1.499 124.401 122.820 0.136 0.000 1.930 94 A HA 0.172 4.492 4.320 0.000 0.000 0.217 94 A C 2.319 179.981 177.584 0.130 0.000 1.175 94 A CA 1.570 53.672 52.037 0.108 0.000 0.627 94 A CB -0.970 18.076 19.000 0.077 0.000 0.815 94 A HN 0.500 nan 8.150 nan 0.000 0.443 95 A N -0.482 122.417 122.820 0.130 0.000 1.972 95 A HA -0.015 4.305 4.320 0.000 0.000 0.219 95 A C 2.100 179.822 177.584 0.229 0.000 1.169 95 A CA 1.612 53.738 52.037 0.148 0.000 0.635 95 A CB -0.555 18.505 19.000 0.100 0.000 0.810 95 A HN 0.677 nan 8.150 nan 0.000 0.446 96 L N -0.235 121.146 121.223 0.264 0.000 2.046 96 L HA -0.179 4.161 4.340 0.000 0.000 0.208 96 L C 2.447 179.549 176.870 0.387 0.000 1.077 96 L CA 2.184 57.236 54.840 0.354 0.000 0.747 96 L CB -0.782 41.515 42.059 0.396 0.000 0.896 96 L HN 0.460 nan 8.230 nan 0.000 0.432 97 C N -0.030 119.426 119.300 0.261 0.000 2.398 97 C HA -0.186 4.274 4.460 0.000 0.000 0.276 97 C C 2.396 177.522 174.990 0.227 0.000 1.222 97 C CA 1.053 60.198 59.018 0.212 0.000 1.746 97 C CB -1.166 26.648 27.740 0.124 0.000 2.039 97 C HN 0.603 nan 8.230 nan 0.000 0.470 98 D N -1.182 119.338 120.400 0.200 0.000 2.144 98 D HA -0.142 4.498 4.640 0.000 0.000 0.200 98 D C 1.725 178.132 176.300 0.178 0.000 0.978 98 D CA 1.090 55.181 54.000 0.152 0.000 0.833 98 D CB -0.415 40.458 40.800 0.121 0.000 0.961 98 D HN 0.773 nan 8.370 nan 0.000 0.470 99 W N 0.668 122.028 121.300 0.099 0.000 2.355 99 W HA -0.211 4.449 4.660 0.000 0.000 0.309 99 W C 2.065 178.628 176.519 0.073 0.000 1.206 99 W CA 1.239 58.642 57.345 0.096 0.000 1.284 99 W CB -0.566 28.927 29.460 0.054 0.000 1.145 99 W HN -0.047 nan 8.180 nan 0.000 0.502 100 Y N 0.097 120.642 120.300 0.407 0.000 2.293 100 Y HA -0.156 4.394 4.550 0.000 0.000 0.291 100 Y C 2.546 178.443 175.900 -0.005 0.000 1.137 100 Y CA 1.629 59.855 58.100 0.210 0.000 1.202 100 Y CB -0.865 37.757 38.460 0.270 0.000 0.990 100 Y HN 0.039 nan 8.280 nan 0.000 0.537 101 A N -0.132 122.772 122.820 0.141 0.000 1.933 101 A HA -0.242 4.078 4.320 0.000 0.000 0.218 101 A C 2.008 179.522 177.584 -0.117 0.000 1.175 101 A CA 2.039 54.094 52.037 0.029 0.000 0.628 101 A CB -0.488 18.533 19.000 0.034 0.000 0.814 101 A HN 0.414 nan 8.150 nan 0.000 0.444 102 E N -0.652 119.387 120.200 -0.270 0.000 2.051 102 E HA -0.130 4.220 4.350 0.000 0.000 0.189 102 E C 1.781 177.952 176.600 -0.714 0.000 0.979 102 E CA 1.511 57.592 56.400 -0.531 0.000 0.803 102 E CB -0.241 29.008 29.700 -0.752 0.000 0.761 102 E HN 0.721 nan 8.360 nan 0.000 0.451 103 H N -1.696 117.041 119.070 -0.555 0.000 2.654 103 H HA 0.288 4.844 4.556 0.000 0.000 0.264 103 H C 1.734 176.844 175.328 -0.365 0.000 0.954 103 H CA 0.711 56.387 56.048 -0.621 0.000 1.199 103 H CB 0.328 29.329 29.762 -1.267 0.000 1.446 103 H HN 0.306 nan 8.280 nan 0.000 0.516 104 G N 2.333 111.067 108.800 -0.110 0.000 2.404 104 G HA2 -0.145 3.815 3.960 0.000 0.000 0.215 104 G HA3 -0.145 3.815 3.960 0.000 0.000 0.215 104 G C -0.592 174.331 174.900 0.038 0.000 1.174 104 G CA 0.176 45.342 45.100 0.109 0.000 0.780 104 G HN 0.320 nan 8.290 nan 0.000 0.537 105 P HA 0.015 nan 4.420 nan 0.000 0.216 105 P C 1.351 178.643 177.300 -0.013 0.000 1.150 105 P CA 1.459 64.553 63.100 -0.011 0.000 0.843 105 P CB -0.057 31.622 31.700 -0.036 0.000 0.787 109 N N 3.221 121.974 118.700 0.090 0.000 2.454 109 N HA 0.194 4.934 4.740 0.000 0.000 0.254 109 N C -2.231 173.370 175.510 0.153 0.000 1.228 109 N CA -0.779 52.324 53.050 0.088 0.000 0.900 109 N CB 0.314 38.827 38.487 0.042 0.000 1.089 109 N HN -0.020 nan 8.380 nan 0.000 0.449 110 P HA 0.049 nan 4.420 nan 0.000 0.269 110 P C -0.499 176.830 177.300 0.047 0.000 1.209 110 P CA 0.239 63.377 63.100 0.063 0.000 0.776 110 P CB 0.727 32.432 31.700 0.009 0.000 0.876 111 E N 3.601 123.811 120.200 0.016 0.000 2.249 111 E HA 0.265 4.615 4.350 0.000 0.000 0.280 111 E C -1.921 174.647 176.600 -0.053 0.000 1.016 111 E CA -1.925 54.473 56.400 -0.004 0.000 0.830 111 E CB 0.626 30.320 29.700 -0.011 0.000 1.081 111 E HN 0.419 nan 8.360 nan 0.000 0.395 112 P HA 0.021 nan 4.420 nan 0.000 0.274 112 P C -0.419 176.821 177.300 -0.100 0.000 1.246 112 P CA -0.232 62.822 63.100 -0.077 0.000 0.795 112 P CB 0.953 32.617 31.700 -0.060 0.000 1.006 113 T N -2.682 111.789 114.554 -0.138 0.000 2.888 113 T HA 0.408 4.758 4.350 0.000 0.000 0.288 113 T C 1.066 175.675 174.700 -0.153 0.000 1.063 113 T CA -0.867 61.137 62.100 -0.161 0.000 1.010 113 T CB 0.514 69.235 68.868 -0.245 0.000 1.214 113 T HN 0.158 nan 8.240 nan 0.000 0.533 114 L N 0.878 122.014 121.223 -0.145 0.000 2.599 114 L HA 0.218 4.559 4.340 0.000 0.000 0.230 114 L C 0.582 177.369 176.870 -0.138 0.000 1.141 114 L CA -0.198 54.574 54.840 -0.114 0.000 0.877 114 L CB -0.122 41.890 42.059 -0.078 0.000 1.009 114 L HN 0.472 nan 8.230 nan 0.000 0.447 115 V N 1.142 120.913 119.914 -0.239 0.000 2.617 115 V HA -0.110 4.011 4.120 0.000 0.000 0.304 115 V C 0.847 176.848 176.094 -0.156 0.000 1.040 115 V CA -0.005 62.131 62.300 -0.272 0.000 1.149 115 V CB 0.280 31.716 31.823 -0.646 0.000 0.914 115 V HN 0.307 nan 8.190 nan 0.000 0.487 116 E N 3.854 124.014 120.200 -0.066 0.000 2.415 116 E HA 0.038 4.388 4.350 0.000 0.000 0.262 116 E C 0.639 177.222 176.600 -0.029 0.000 1.038 116 E CA 0.458 56.841 56.400 -0.029 0.000 0.921 116 E CB -0.059 29.647 29.700 0.010 0.000 0.950 116 E HN 0.791 nan 8.360 nan 0.000 0.438 117 N N 2.261 120.946 118.700 -0.025 0.000 2.741 117 N HA -0.257 4.483 4.740 0.000 0.000 0.250 117 N C -0.909 174.585 175.510 -0.027 0.000 1.115 117 N CA 0.362 53.403 53.050 -0.015 0.000 0.724 117 N CB -0.800 37.691 38.487 0.007 0.000 1.090 117 N HN 0.518 nan 8.380 nan 0.000 0.558 118 Q N -1.953 117.814 119.800 -0.056 0.000 2.475 118 Q HA -0.262 4.078 4.340 0.000 0.000 0.280 118 Q C 0.617 176.574 176.000 -0.073 0.000 1.234 118 Q CA 1.077 56.838 55.803 -0.069 0.000 0.873 118 Q CB -1.154 27.557 28.738 -0.045 0.000 1.256 118 Q HN 0.543 nan 8.270 nan 0.000 0.475 119 Q N -1.395 118.349 119.800 -0.093 0.000 2.389 119 Q HA 0.340 4.680 4.340 0.000 0.000 0.204 119 Q C 0.264 176.168 176.000 -0.159 0.000 0.944 119 Q CA 1.203 56.975 55.803 -0.050 0.000 0.908 119 Q CB 0.706 29.485 28.738 0.068 0.000 1.002 119 Q HN 0.514 nan 8.270 nan 0.000 0.493 120 A N 0.496 123.106 122.820 -0.349 0.000 2.393 120 A HA 0.655 4.975 4.320 0.000 0.000 0.306 120 A C -0.450 176.976 177.584 -0.264 0.000 1.050 120 A CA -0.640 51.141 52.037 -0.427 0.000 0.724 120 A CB 1.522 19.933 19.000 -0.982 0.000 1.248 120 A HN -0.001 nan 8.150 nan 0.000 0.424 121 V N -0.225 119.587 119.914 -0.170 0.000 3.102 121 V HA 0.776 4.896 4.120 0.000 0.000 0.312 121 V C -0.869 175.143 176.094 -0.137 0.000 1.135 121 V CA -1.065 61.154 62.300 -0.135 0.000 1.022 121 V CB 1.842 33.613 31.823 -0.086 0.000 1.056 121 V HN 0.640 nan 8.190 nan 0.000 0.436 122 I N 2.116 122.592 120.570 -0.158 0.000 2.354 122 I HA 0.588 4.759 4.170 0.000 0.000 0.292 122 I C 0.083 176.035 176.117 -0.275 0.000 0.989 122 I CA -0.266 60.895 61.300 -0.232 0.000 1.188 122 I CB 1.192 39.011 38.000 -0.301 0.000 1.342 122 I HN 0.777 nan 8.210 nan 0.000 0.457 123 E N 5.412 125.452 120.200 -0.266 0.000 2.191 123 E HA 0.332 4.683 4.350 0.000 0.000 0.274 123 E C -1.354 175.047 176.600 -0.331 0.000 0.948 123 E CA -0.666 55.615 56.400 -0.199 0.000 0.802 123 E CB 2.056 31.712 29.700 -0.073 0.000 1.137 123 E HN 0.299 nan 8.360 nan 0.000 0.397 124 Y N 2.120 122.409 120.300 -0.018 0.000 2.595 124 Y HA 0.199 4.749 4.550 0.000 0.000 0.336 124 Y C 0.586 176.515 175.900 0.049 0.000 0.996 124 Y CA -0.564 57.537 58.100 0.002 0.000 1.260 124 Y CB 0.523 38.986 38.460 0.006 0.000 1.108 124 Y HN 0.002 nan 8.280 nan 0.000 0.509 125 R N 3.711 124.298 120.500 0.144 0.000 2.500 125 R HA 0.431 4.771 4.340 0.000 0.000 0.277 125 R C -2.652 173.769 176.300 0.201 0.000 1.026 125 R CA -2.415 53.770 56.100 0.142 0.000 1.058 125 R CB 0.258 30.619 30.300 0.102 0.000 1.078 125 R HN 0.324 nan 8.270 nan 0.000 0.509 126 P HA 0.021 nan 4.420 nan 0.000 0.272 126 P C 0.326 177.819 177.300 0.323 0.000 1.230 126 P CA -0.302 62.994 63.100 0.327 0.000 0.788 126 P CB 0.771 32.747 31.700 0.459 0.000 0.949 127 L N 0.814 122.183 121.223 0.243 0.000 2.269 127 L HA 0.431 4.771 4.340 0.000 0.000 0.200 127 L C 1.180 177.952 176.870 -0.164 0.000 1.069 127 L CA 2.113 57.019 54.840 0.108 0.000 0.804 127 L CB -0.654 41.486 42.059 0.134 0.000 0.987 127 L HN 0.790 nan 8.230 nan 0.000 0.468 128 G N -1.769 106.697 108.800 -0.557 0.000 2.403 128 G HA2 0.135 4.095 3.960 0.000 0.000 0.223 128 G HA3 0.135 4.095 3.960 0.000 0.000 0.223 128 G C -1.548 172.844 174.900 -0.847 0.000 1.287 128 G CA -0.260 44.039 45.100 -1.335 0.000 0.982 128 G HN -0.100 nan 8.290 nan 0.000 0.471 129 V N 1.981 121.563 119.914 -0.553 0.000 2.461 129 V HA 0.447 4.567 4.120 0.000 0.000 0.275 129 V C 0.144 176.083 176.094 -0.259 0.000 1.047 129 V CA -0.503 61.618 62.300 -0.297 0.000 0.955 129 V CB 1.118 32.813 31.823 -0.212 0.000 0.988 129 V HN 0.492 nan 8.190 nan 0.000 0.471 130 I N 5.830 126.239 120.570 -0.269 0.000 2.321 130 I HA 0.319 4.489 4.170 0.000 0.000 0.291 130 I C -0.142 175.716 176.117 -0.432 0.000 0.998 130 I CA -0.802 60.275 61.300 -0.371 0.000 1.227 130 I CB 1.175 38.850 38.000 -0.542 0.000 1.368 130 I HN 0.445 nan 8.210 nan 0.000 0.466 131 L N 6.685 127.693 121.223 -0.358 0.000 2.319 131 L HA 0.643 4.983 4.340 0.000 0.000 0.280 131 L C 0.090 176.715 176.870 -0.409 0.000 1.099 131 L CA 0.115 54.744 54.840 -0.352 0.000 0.828 131 L CB 0.896 42.824 42.059 -0.218 0.000 1.150 131 L HN 0.733 nan 8.230 nan 0.000 0.442 132 A N 6.514 129.028 122.820 -0.511 0.000 2.330 132 A HA 0.788 5.109 4.320 0.000 0.000 0.313 132 A C -0.614 176.822 177.584 -0.247 0.000 1.124 132 A CA -0.510 51.255 52.037 -0.453 0.000 0.774 132 A CB 0.534 19.051 19.000 -0.805 0.000 1.198 132 A HN 0.723 nan 8.150 nan 0.000 0.465 136 W N 0.969 122.380 121.300 0.186 0.000 3.139 136 W HA 0.015 4.675 4.660 0.000 0.000 0.260 136 W C 0.828 177.410 176.519 0.105 0.000 1.312 136 W CA 0.735 58.145 57.345 0.108 0.000 1.606 136 W CB -0.999 28.485 29.460 0.041 0.000 1.118 136 W HN 0.373 nan 8.180 nan 0.000 0.675 137 N N 1.905 120.451 118.700 -0.257 0.000 2.270 137 N HA -0.161 4.579 4.740 0.000 0.000 0.181 137 N C -0.244 175.112 175.510 -0.256 0.000 1.016 137 N CA 0.705 53.634 53.050 -0.200 0.000 0.870 137 N CB -1.099 37.153 38.487 -0.391 0.000 0.979 137 N HN 0.080 nan 8.380 nan 0.000 0.431 138 F N 0.148 120.176 119.950 0.130 0.000 2.686 138 F HA 0.438 4.965 4.527 0.000 0.000 0.365 138 F C -1.794 174.136 175.800 0.217 0.000 1.196 138 F CA -2.119 55.995 58.000 0.191 0.000 1.198 138 F CB 2.227 41.392 39.000 0.274 0.000 1.454 138 F HN -0.155 nan 8.300 nan 0.000 0.539 139 P HA -0.174 nan 4.420 nan 0.000 0.221 139 P C 1.546 179.069 177.300 0.373 0.000 1.145 139 P CA 0.987 64.293 63.100 0.343 0.000 0.795 139 P CB 0.548 32.326 31.700 0.130 0.000 0.775 140 L N -2.017 119.377 121.223 0.285 0.000 2.262 140 L HA 0.194 4.534 4.340 0.000 0.000 0.197 140 L C 2.183 179.175 176.870 0.203 0.000 1.073 140 L CA 0.977 55.942 54.840 0.209 0.000 0.800 140 L CB -1.412 40.751 42.059 0.174 0.000 0.987 140 L HN -0.022 nan 8.230 nan 0.000 0.470 141 W N 0.588 121.957 121.300 0.116 0.000 2.338 141 W HA -0.209 4.452 4.660 0.000 0.000 0.304 141 W C 1.953 178.464 176.519 -0.013 0.000 1.212 141 W CA 1.526 58.886 57.345 0.026 0.000 1.264 141 W CB -0.055 29.392 29.460 -0.022 0.000 1.142 141 W HN 0.333 nan 8.180 nan 0.000 0.512 142 Q N 0.482 120.244 119.800 -0.062 0.000 2.124 142 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 142 Q C 2.310 178.173 176.000 -0.227 0.000 0.977 142 Q CA 1.793 57.470 55.803 -0.210 0.000 0.850 142 Q CB -1.030 27.727 28.738 0.030 0.000 0.901 142 Q HN 0.301 nan 8.270 nan 0.000 0.429 143 V N 1.351 121.187 119.914 -0.129 0.000 2.270 143 V HA -0.234 3.886 4.120 0.000 0.000 0.245 143 V C 2.441 178.375 176.094 -0.266 0.000 1.043 143 V CA 1.464 63.693 62.300 -0.118 0.000 1.014 143 V CB -0.631 31.160 31.823 -0.055 0.000 0.645 143 V HN 0.269 nan 8.190 nan 0.000 0.447 144 L N -0.482 120.571 121.223 -0.283 0.000 2.141 144 L HA -0.141 4.199 4.340 0.000 0.000 0.209 144 L C 2.708 179.321 176.870 -0.429 0.000 1.094 144 L CA 1.403 56.049 54.840 -0.324 0.000 0.763 144 L CB -0.647 41.304 42.059 -0.179 0.000 0.908 144 L HN 0.292 nan 8.230 nan 0.000 0.437 145 R N 0.348 120.427 120.500 -0.701 0.000 2.119 145 R HA -0.193 4.147 4.340 0.000 0.000 0.246 145 R C 2.140 178.217 176.300 -0.371 0.000 1.146 145 R CA 1.872 57.489 56.100 -0.806 0.000 0.962 145 R CB -0.341 29.271 30.300 -1.148 0.000 0.863 145 R HN 0.413 nan 8.270 nan 0.000 0.442 146 G N -1.017 107.624 108.800 -0.265 0.000 2.441 146 G HA2 -0.057 3.903 3.960 0.000 0.000 0.212 146 G HA3 -0.057 3.903 3.960 0.000 0.000 0.212 146 G C 1.438 176.241 174.900 -0.163 0.000 1.164 146 G CA 0.419 45.466 45.100 -0.089 0.000 0.811 146 G HN 0.432 nan 8.290 nan 0.000 0.535 147 A N 0.417 122.974 122.820 -0.439 0.000 1.933 147 A HA 0.090 4.410 4.320 0.000 0.000 0.218 147 A C 2.566 179.952 177.584 -0.330 0.000 1.175 147 A CA 1.757 53.362 52.037 -0.721 0.000 0.628 147 A CB -0.613 17.706 19.000 -1.135 0.000 0.814 147 A HN 0.224 nan 8.150 nan 0.000 0.444 148 V N 1.089 120.829 119.914 -0.289 0.000 2.237 148 V HA -0.160 3.960 4.120 0.000 0.000 0.245 148 V C -0.036 175.884 176.094 -0.289 0.000 1.046 148 V CA 2.520 64.690 62.300 -0.217 0.000 1.007 148 V CB -1.474 30.262 31.823 -0.144 0.000 0.638 148 V HN 0.462 nan 8.190 nan 0.000 0.445 149 P HA -0.110 nan 4.420 nan 0.000 0.217 149 P C 1.869 179.122 177.300 -0.080 0.000 1.151 149 P CA 1.521 64.339 63.100 -0.470 0.000 0.828 149 P CB -0.024 31.345 31.700 -0.552 0.000 0.788 150 I N -1.019 119.556 120.570 0.009 0.000 2.163 150 I HA -0.258 3.912 4.170 0.000 0.000 0.243 150 I C 2.371 178.608 176.117 0.201 0.000 1.085 150 I CA 1.253 62.636 61.300 0.138 0.000 1.347 150 I CB -0.709 37.369 38.000 0.130 0.000 1.044 150 I HN -0.120 nan 8.210 nan 0.000 0.408 151 L N -0.264 121.063 121.223 0.174 0.000 2.017 151 L HA -0.209 4.131 4.340 0.000 0.000 0.208 151 L C 2.287 179.428 176.870 0.451 0.000 1.073 151 L CA 1.575 56.635 54.840 0.367 0.000 0.745 151 L CB -0.842 41.356 42.059 0.232 0.000 0.894 151 L HN 0.190 nan 8.230 nan 0.000 0.432 152 L N -0.320 121.031 121.223 0.214 0.000 2.079 152 L HA -0.129 4.211 4.340 0.000 0.000 0.210 152 L C 2.336 179.273 176.870 0.111 0.000 1.081 152 L CA 1.891 56.812 54.840 0.136 0.000 0.752 152 L CB -0.818 41.278 42.059 0.062 0.000 0.896 152 L HN 0.219 nan 8.230 nan 0.000 0.433 153 A N -1.050 121.863 122.820 0.154 0.000 2.216 153 A HA 0.285 4.606 4.320 0.000 0.000 0.214 153 A C 1.750 179.450 177.584 0.193 0.000 1.160 153 A CA 0.858 53.002 52.037 0.178 0.000 0.725 153 A CB -1.023 18.115 19.000 0.229 0.000 0.784 153 A HN 0.894 nan 8.150 nan 0.000 0.472 154 G N -1.132 107.796 108.800 0.213 0.000 2.141 154 G HA2 -0.237 3.723 3.960 0.000 0.000 0.231 154 G HA3 -0.237 3.723 3.960 0.000 0.000 0.231 154 G C -0.104 175.159 174.900 0.605 0.000 0.984 154 G CA 0.127 45.327 45.100 0.166 0.000 0.660 154 G HN 0.656 nan 8.290 nan 0.000 0.525 155 N N 0.098 119.162 118.700 0.608 0.000 2.476 155 N HA 0.618 5.358 4.740 0.000 0.000 0.275 155 N C 0.234 176.035 175.510 0.486 0.000 1.190 155 N CA -0.081 53.286 53.050 0.529 0.000 0.977 155 N CB 0.911 39.546 38.487 0.247 0.000 1.200 155 N HN 0.145 nan 8.380 nan 0.000 0.515 156 S N 0.217 116.090 115.700 0.288 0.000 2.646 156 S HA 0.247 4.717 4.470 0.000 0.000 0.276 156 S C -1.174 173.456 174.600 0.049 0.000 1.222 156 S CA -0.408 57.850 58.200 0.096 0.000 1.014 156 S CB 0.428 63.664 63.200 0.061 0.000 0.991 156 S HN 0.455 nan 8.310 nan 0.000 0.533 157 Y N 2.074 122.299 120.300 -0.126 0.000 2.331 157 Y HA 0.608 5.159 4.550 0.000 0.000 0.334 157 Y C -1.311 174.432 175.900 -0.260 0.000 0.960 157 Y CA -1.037 56.963 58.100 -0.167 0.000 1.130 157 Y CB 0.895 39.307 38.460 -0.079 0.000 1.164 157 Y HN 0.485 nan 8.280 nan 0.000 0.458 158 L N 8.104 129.046 121.223 -0.467 0.000 2.342 158 L HA 0.534 4.874 4.340 0.000 0.000 0.276 158 L C -1.996 174.599 176.870 -0.458 0.000 0.997 158 L CA -0.820 53.794 54.840 -0.375 0.000 0.838 158 L CB 1.208 43.107 42.059 -0.266 0.000 1.224 158 L HN 0.698 nan 8.230 nan 0.000 0.416 159 L N 5.195 126.240 121.223 -0.296 0.000 2.307 159 L HA 0.570 4.910 4.340 0.000 0.000 0.282 159 L C -0.597 176.297 176.870 0.040 0.000 1.051 159 L CA 0.075 54.822 54.840 -0.155 0.000 0.804 159 L CB 0.767 42.872 42.059 0.077 0.000 1.197 159 L HN 0.540 nan 8.230 nan 0.000 0.431 160 K N 4.525 124.938 120.400 0.021 0.000 2.449 160 K HA 0.285 4.605 4.320 0.000 0.000 0.257 160 K C -1.136 175.587 176.600 0.205 0.000 0.989 160 K CA -0.370 56.003 56.287 0.143 0.000 0.916 160 K CB 0.417 32.946 32.500 0.048 0.000 1.136 160 K HN 0.910 nan 8.250 nan 0.000 0.439 161 H N 0.631 119.861 119.070 0.267 0.000 2.499 161 H HA 0.499 5.056 4.556 0.000 0.000 0.352 161 H C -0.178 175.286 175.328 0.226 0.000 1.237 161 H CA -0.629 55.545 56.048 0.209 0.000 1.343 161 H CB 1.419 31.276 29.762 0.157 0.000 1.578 161 H HN 0.719 nan 8.280 nan 0.000 0.577 162 A N 2.596 125.724 122.820 0.512 0.000 2.511 162 A HA 0.080 4.400 4.320 0.000 0.000 0.242 162 A C -1.630 176.115 177.584 0.268 0.000 1.069 162 A CA -1.059 51.187 52.037 0.349 0.000 0.763 162 A CB -0.043 19.198 19.000 0.402 0.000 1.001 162 A HN 0.698 nan 8.150 nan 0.000 0.498 163 P HA -0.118 nan 4.420 nan 0.000 0.230 163 P C 0.493 177.878 177.300 0.141 0.000 1.158 163 P CA 0.949 64.216 63.100 0.278 0.000 0.769 163 P CB 0.006 31.961 31.700 0.425 0.000 0.807 164 N N 0.464 119.229 118.700 0.109 0.000 2.398 164 N HA -0.014 4.726 4.740 0.000 0.000 0.188 164 N C 0.855 176.356 175.510 -0.015 0.000 1.122 164 N CA 0.457 53.520 53.050 0.021 0.000 0.866 164 N CB -0.424 38.032 38.487 -0.051 0.000 0.970 164 N HN 0.135 nan 8.380 nan 0.000 0.462 165 V N -2.300 117.594 119.914 -0.035 0.000 2.838 165 V HA 0.304 4.424 4.120 0.000 0.000 0.363 165 V C 1.416 177.402 176.094 -0.179 0.000 1.324 165 V CA 0.091 62.309 62.300 -0.137 0.000 1.220 165 V CB -0.559 31.127 31.823 -0.229 0.000 1.328 165 V HN 0.190 nan 8.190 nan 0.000 0.595 166 T N -2.592 111.927 114.554 -0.060 0.000 2.995 166 T HA 0.014 4.365 4.350 0.000 0.000 0.269 166 T C 1.971 176.609 174.700 -0.103 0.000 1.091 166 T CA 1.579 63.661 62.100 -0.029 0.000 1.128 166 T CB -0.300 68.683 68.868 0.191 0.000 0.891 166 T HN 0.672 nan 8.240 nan 0.000 0.492 167 G N 0.699 109.459 108.800 -0.068 0.000 2.433 167 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 167 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 167 G C 1.839 176.672 174.900 -0.113 0.000 1.186 167 G CA 0.979 46.041 45.100 -0.064 0.000 0.779 167 G HN 0.614 nan 8.290 nan 0.000 0.543 168 C N 1.017 120.240 119.300 -0.128 0.000 2.413 168 C HA 0.086 4.546 4.460 0.000 0.000 0.276 168 C C 3.561 178.440 174.990 -0.185 0.000 1.236 168 C CA 0.937 59.881 59.018 -0.122 0.000 1.735 168 C CB -1.084 26.593 27.740 -0.105 0.000 2.031 168 C HN 0.582 nan 8.230 nan 0.000 0.474 169 A N -0.010 122.619 122.820 -0.319 0.000 1.883 169 A HA -0.170 4.150 4.320 0.000 0.000 0.217 169 A C 1.415 178.493 177.584 -0.844 0.000 1.186 169 A CA 1.280 52.958 52.037 -0.598 0.000 0.624 169 A CB -0.577 17.834 19.000 -0.982 0.000 0.822 169 A HN 0.789 nan 8.150 nan 0.000 0.444 173 A N 1.629 124.433 122.820 -0.028 0.000 1.883 173 A HA -0.161 4.159 4.320 0.000 0.000 0.217 173 A C 2.179 179.803 177.584 0.066 0.000 1.186 173 A CA 1.969 54.101 52.037 0.158 0.000 0.624 173 A CB -0.568 18.615 19.000 0.305 0.000 0.822 173 A HN 0.348 nan 8.150 nan 0.000 0.444 174 R N -0.694 119.812 120.500 0.010 0.000 2.091 174 R HA -0.094 4.246 4.340 0.000 0.000 0.238 174 R C 2.050 178.296 176.300 -0.090 0.000 1.136 174 R CA 1.687 57.769 56.100 -0.031 0.000 0.959 174 R CB -0.534 29.723 30.300 -0.073 0.000 0.856 174 R HN 0.595 nan 8.270 nan 0.000 0.437 175 I N 0.516 121.002 120.570 -0.139 0.000 2.202 175 I HA -0.274 3.896 4.170 0.000 0.000 0.242 175 I C 1.985 178.046 176.117 -0.093 0.000 1.091 175 I CA 1.033 62.249 61.300 -0.140 0.000 1.368 175 I CB -0.170 37.755 38.000 -0.126 0.000 1.058 175 I HN 0.078 nan 8.210 nan 0.000 0.410 176 L N 0.604 121.742 121.223 -0.142 0.000 2.141 176 L HA -0.132 4.208 4.340 0.000 0.000 0.209 176 L C 2.612 179.446 176.870 -0.061 0.000 1.094 176 L CA 1.869 56.612 54.840 -0.161 0.000 0.763 176 L CB -0.939 40.895 42.059 -0.375 0.000 0.908 176 L HN 0.187 nan 8.230 nan 0.000 0.437 177 A N -0.879 121.933 122.820 -0.014 0.000 1.898 177 A HA -0.236 4.085 4.320 0.000 0.000 0.216 177 A C 2.328 179.923 177.584 0.017 0.000 1.181 177 A CA 1.562 53.612 52.037 0.023 0.000 0.620 177 A CB -0.556 18.475 19.000 0.052 0.000 0.819 177 A HN 0.488 nan 8.150 nan 0.000 0.442 178 E N 0.182 120.387 120.200 0.007 0.000 2.118 178 E HA -0.158 4.192 4.350 0.000 0.000 0.195 178 E C 1.876 178.497 176.600 0.036 0.000 0.992 178 E CA 1.054 57.471 56.400 0.028 0.000 0.804 178 E CB -0.252 29.472 29.700 0.041 0.000 0.741 178 E HN 0.523 nan 8.360 nan 0.000 0.458 179 A N 0.151 122.983 122.820 0.021 0.000 2.172 179 A HA 0.095 4.415 4.320 0.000 0.000 0.216 179 A C 1.800 179.403 177.584 0.032 0.000 1.154 179 A CA 1.202 53.254 52.037 0.025 0.000 0.701 179 A CB -0.603 18.400 19.000 0.005 0.000 0.789 179 A HN 0.555 nan 8.150 nan 0.000 0.465 180 G N -1.645 107.173 108.800 0.029 0.000 2.132 180 G HA2 -0.213 3.747 3.960 0.000 0.000 0.234 180 G HA3 -0.213 3.747 3.960 0.000 0.000 0.234 180 G C 0.266 175.186 174.900 0.034 0.000 0.989 180 G CA 0.265 45.389 45.100 0.040 0.000 0.676 180 G HN 0.646 nan 8.290 nan 0.000 0.522 181 T N 2.780 117.334 114.554 -0.001 0.000 2.867 181 T HA 0.416 4.767 4.350 0.000 0.000 0.297 181 T C -1.615 173.051 174.700 -0.056 0.000 0.989 181 T CA -0.088 61.975 62.100 -0.060 0.000 1.159 181 T CB 1.169 69.980 68.868 -0.096 0.000 0.928 181 T HN 0.200 nan 8.240 nan 0.000 0.538 182 P HA 0.250 nan 4.420 nan 0.000 0.267 182 P C -0.432 176.840 177.300 -0.047 0.000 1.200 182 P CA -0.438 62.643 63.100 -0.032 0.000 0.772 182 P CB 0.326 32.031 31.700 0.010 0.000 0.855 183 A N 2.543 125.364 122.820 0.002 0.000 2.565 183 A HA 0.376 4.696 4.320 0.000 0.000 0.237 183 A C 1.650 179.222 177.584 -0.021 0.000 1.053 183 A CA 0.898 52.942 52.037 0.011 0.000 0.755 183 A CB -1.379 17.640 19.000 0.031 0.000 0.980 183 A HN 0.890 nan 8.150 nan 0.000 0.506 184 G N 0.987 109.768 108.800 -0.032 0.000 2.320 184 G HA2 -0.306 3.654 3.960 0.000 0.000 0.242 184 G HA3 -0.306 3.654 3.960 0.000 0.000 0.242 184 G C 1.092 175.944 174.900 -0.081 0.000 1.033 184 G CA 0.769 45.833 45.100 -0.061 0.000 0.620 184 G HN 1.289 nan 8.290 nan 0.000 0.517 185 V N -0.411 119.418 119.914 -0.142 0.000 2.343 185 V HA 0.147 4.267 4.120 0.000 0.000 0.247 185 V C 1.198 177.199 176.094 -0.155 0.000 1.051 185 V CA 2.145 64.258 62.300 -0.312 0.000 1.036 185 V CB -0.260 31.086 31.823 -0.795 0.000 0.654 185 V HN 0.601 nan 8.190 nan 0.000 0.451 186 Y N -0.485 119.714 120.300 -0.169 0.000 2.376 186 Y HA 0.684 5.234 4.550 0.000 0.000 0.340 186 Y C 0.031 175.956 175.900 0.042 0.000 0.965 186 Y CA -0.183 57.898 58.100 -0.031 0.000 1.078 186 Y CB 1.642 40.061 38.460 -0.067 0.000 1.193 186 Y HN 0.076 nan 8.280 nan 0.000 0.452 187 G N 4.276 112.738 108.800 -0.562 0.000 2.649 187 G HA2 0.523 4.483 3.960 0.000 0.000 0.290 187 G HA3 0.523 4.483 3.960 0.000 0.000 0.290 187 G C -2.261 172.491 174.900 -0.246 0.000 1.426 187 G CA -0.735 44.213 45.100 -0.254 0.000 0.794 187 G HN 0.833 nan 8.290 nan 0.000 0.483 188 W N -0.776 120.390 121.300 -0.222 0.000 3.075 188 W HA 0.783 5.444 4.660 0.000 0.000 0.334 188 W C -2.309 174.187 176.519 -0.039 0.000 1.243 188 W CA -1.509 55.755 57.345 -0.135 0.000 1.170 188 W CB 1.096 30.538 29.460 -0.030 0.000 1.452 188 W HN 0.995 nan 8.180 nan 0.000 0.572 189 V N 2.624 122.375 119.914 -0.270 0.000 2.851 189 V HA 0.292 4.412 4.120 0.000 0.000 0.307 189 V C -1.047 174.902 176.094 -0.242 0.000 1.129 189 V CA -0.608 61.422 62.300 -0.451 0.000 0.932 189 V CB 2.021 33.710 31.823 -0.223 0.000 1.024 189 V HN 0.632 nan 8.190 nan 0.000 0.426 190 N N 5.031 123.539 118.700 -0.320 0.000 3.254 190 N HA 0.438 5.178 4.740 0.000 0.000 0.308 190 N C 0.071 175.724 175.510 0.238 0.000 1.281 190 N CA 0.522 53.620 53.050 0.080 0.000 1.212 190 N CB 0.308 38.839 38.487 0.073 0.000 1.478 190 N HN 0.937 nan 8.380 nan 0.000 0.548 191 A N 1.780 124.682 122.820 0.137 0.000 2.388 191 A HA 0.311 4.631 4.320 0.000 0.000 0.257 191 A C 0.552 178.101 177.584 -0.059 0.000 1.095 191 A CA -0.724 51.345 52.037 0.054 0.000 0.791 191 A CB 0.128 19.113 19.000 -0.025 0.000 1.029 191 A HN 0.781 nan 8.150 nan 0.000 0.489 192 N N 1.926 120.433 118.700 -0.322 0.000 2.327 192 N HA 0.057 4.797 4.740 0.000 0.000 0.257 192 N C 0.415 175.682 175.510 -0.405 0.000 1.281 192 N CA -0.363 52.210 53.050 -0.796 0.000 0.942 192 N CB 0.027 37.766 38.487 -1.247 0.000 1.199 192 N HN 0.483 nan 8.380 nan 0.000 0.532 193 N N -0.093 118.378 118.700 -0.382 0.000 2.149 193 N HA -0.157 4.583 4.740 0.000 0.000 0.188 193 N C 1.015 176.429 175.510 -0.159 0.000 1.019 193 N CA 1.176 54.100 53.050 -0.211 0.000 0.857 193 N CB -0.251 38.134 38.487 -0.171 0.000 0.997 193 N HN 0.665 nan 8.380 nan 0.000 0.426 194 E N -0.251 119.846 120.200 -0.172 0.000 2.106 194 E HA -0.061 4.289 4.350 0.000 0.000 0.192 194 E C 2.026 178.566 176.600 -0.101 0.000 0.984 194 E CA 0.952 57.282 56.400 -0.117 0.000 0.806 194 E CB -0.234 29.401 29.700 -0.107 0.000 0.750 194 E HN 0.422 nan 8.360 nan 0.000 0.458 195 G N 1.013 109.742 108.800 -0.119 0.000 2.418 195 G HA2 -0.236 3.724 3.960 0.000 0.000 0.217 195 G HA3 -0.236 3.724 3.960 0.000 0.000 0.217 195 G C 1.746 176.598 174.900 -0.081 0.000 1.158 195 G CA 0.719 45.767 45.100 -0.087 0.000 0.771 195 G HN 0.111 nan 8.290 nan 0.000 0.545 196 V N 1.223 121.082 119.914 -0.092 0.000 2.287 196 V HA -0.221 3.899 4.120 0.000 0.000 0.248 196 V C 3.140 179.193 176.094 -0.068 0.000 1.053 196 V CA 2.343 64.597 62.300 -0.077 0.000 1.027 196 V CB -0.726 31.052 31.823 -0.075 0.000 0.646 196 V HN 0.376 nan 8.190 nan 0.000 0.447 197 S N -1.247 114.413 115.700 -0.066 0.000 2.370 197 S HA -0.204 4.266 4.470 0.000 0.000 0.226 197 S C 1.253 175.824 174.600 -0.048 0.000 1.033 197 S CA 1.040 59.209 58.200 -0.053 0.000 1.011 197 S CB -0.281 62.888 63.200 -0.051 0.000 0.852 197 S HN 0.727 nan 8.310 nan 0.000 0.457 201 N N 1.403 120.083 118.700 -0.034 0.000 2.461 201 N HA -0.017 4.724 4.740 0.000 0.000 0.188 201 N C 0.172 175.666 175.510 -0.027 0.000 1.134 201 N CA 0.220 53.255 53.050 -0.026 0.000 0.878 201 N CB 0.374 38.846 38.487 -0.024 0.000 0.972 201 N HN 0.260 nan 8.380 nan 0.000 0.456 202 D N 0.737 121.116 120.400 -0.035 0.000 2.225 202 D HA 0.081 4.721 4.640 0.000 0.000 0.248 202 D C -1.595 174.684 176.300 -0.035 0.000 1.096 202 D CA -2.196 51.784 54.000 -0.034 0.000 0.863 202 D CB 1.705 42.480 40.800 -0.041 0.000 1.156 202 D HN 0.007 nan 8.370 nan 0.000 0.450 203 P HA -0.091 nan 4.420 nan 0.000 0.225 203 P C 0.978 178.258 177.300 -0.033 0.000 1.148 203 P CA 0.695 63.781 63.100 -0.023 0.000 0.779 203 P CB 0.340 32.033 31.700 -0.011 0.000 0.780 204 R N -1.000 119.476 120.500 -0.040 0.000 2.235 204 R HA 0.041 4.381 4.340 0.000 0.000 0.213 204 R C 0.758 177.002 176.300 -0.094 0.000 1.059 204 R CA 0.356 56.423 56.100 -0.055 0.000 0.997 204 R CB -0.217 30.056 30.300 -0.046 0.000 0.884 204 R HN 0.167 nan 8.270 nan 0.000 0.462 205 I N 0.737 121.253 120.570 -0.089 0.000 2.337 205 I HA 0.077 4.247 4.170 0.000 0.000 0.291 205 I C 1.120 177.181 176.117 -0.093 0.000 1.046 205 I CA -0.135 61.100 61.300 -0.109 0.000 1.324 205 I CB 0.983 38.923 38.000 -0.100 0.000 1.409 205 I HN 0.071 nan 8.210 nan 0.000 0.494 206 A N 5.616 128.365 122.820 -0.118 0.000 1.935 206 A HA 0.581 4.901 4.320 0.000 0.000 0.214 206 A C 0.991 178.570 177.584 -0.007 0.000 1.178 206 A CA 1.060 53.054 52.037 -0.072 0.000 0.640 206 A CB 0.191 19.123 19.000 -0.113 0.000 0.825 206 A HN 0.776 nan 8.150 nan 0.000 0.447 207 A N -2.231 120.579 122.820 -0.017 0.000 2.564 207 A HA 0.612 4.932 4.320 0.000 0.000 0.291 207 A C -1.480 176.092 177.584 -0.020 0.000 1.102 207 A CA -0.266 51.818 52.037 0.078 0.000 0.660 207 A CB 0.674 19.852 19.000 0.297 0.000 1.283 207 A HN 0.593 nan 8.150 nan 0.000 0.430 208 V N 0.015 119.970 119.914 0.068 0.000 2.841 208 V HA 0.814 4.935 4.120 0.000 0.000 0.310 208 V C -0.245 175.871 176.094 0.036 0.000 1.090 208 V CA -0.328 61.953 62.300 -0.032 0.000 0.930 208 V CB 1.987 33.807 31.823 -0.006 0.000 1.014 208 V HN 1.113 nan 8.190 nan 0.000 0.425 209 T N 3.135 117.633 114.554 -0.093 0.000 2.861 209 T HA 0.756 5.106 4.350 0.000 0.000 0.287 209 T C -1.376 173.301 174.700 -0.038 0.000 1.003 209 T CA -0.294 61.817 62.100 0.019 0.000 0.977 209 T CB 1.412 70.283 68.868 0.006 0.000 0.996 209 T HN 0.465 nan 8.240 nan 0.000 0.448 210 V N 4.451 124.354 119.914 -0.018 0.000 2.588 210 V HA 0.628 4.748 4.120 0.000 0.000 0.304 210 V C -0.164 175.909 176.094 -0.035 0.000 1.042 210 V CA -0.778 61.496 62.300 -0.043 0.000 0.877 210 V CB 2.244 34.033 31.823 -0.057 0.000 0.996 210 V HN 1.012 nan 8.190 nan 0.000 0.425 211 T N 3.254 117.792 114.554 -0.027 0.000 2.840 211 T HA 0.858 5.208 4.350 0.000 0.000 0.287 211 T C 0.252 174.928 174.700 -0.040 0.000 0.991 211 T CA 0.091 62.181 62.100 -0.017 0.000 0.964 211 T CB 1.579 70.450 68.868 0.005 0.000 0.954 211 T HN 1.294 nan 8.240 nan 0.000 0.438 212 G N 1.800 110.563 108.800 -0.062 0.000 2.360 212 G HA2 0.475 4.435 3.960 0.000 0.000 0.276 212 G HA3 0.475 4.435 3.960 0.000 0.000 0.276 212 G C -0.630 174.196 174.900 -0.125 0.000 1.256 212 G CA -0.283 44.752 45.100 -0.107 0.000 0.890 212 G HN 0.911 nan 8.290 nan 0.000 0.486 213 S N -0.707 114.919 115.700 -0.123 0.000 2.614 213 S HA 0.453 4.923 4.470 0.000 0.000 0.265 213 S C 1.527 176.102 174.600 -0.041 0.000 1.303 213 S CA 0.229 58.366 58.200 -0.105 0.000 1.000 213 S CB 1.484 64.629 63.200 -0.091 0.000 0.935 213 S HN 1.205 nan 8.310 nan 0.000 0.551 214 V N 1.655 121.572 119.914 0.005 0.000 2.392 214 V HA -0.180 3.940 4.120 0.000 0.000 0.249 214 V C 2.901 178.988 176.094 -0.011 0.000 1.059 214 V CA 2.304 64.609 62.300 0.008 0.000 1.051 214 V CB -1.151 30.692 31.823 0.032 0.000 0.658 214 V HN 0.947 nan 8.190 nan 0.000 0.455 215 R N 0.183 120.679 120.500 -0.006 0.000 2.081 215 R HA -0.154 4.187 4.340 0.000 0.000 0.235 215 R C 2.331 178.624 176.300 -0.011 0.000 1.131 215 R CA 1.666 57.763 56.100 -0.006 0.000 0.960 215 R CB -0.410 29.891 30.300 0.003 0.000 0.856 215 R HN 0.488 nan 8.270 nan 0.000 0.436 216 A N 0.280 123.090 122.820 -0.017 0.000 1.902 216 A HA -0.075 4.245 4.320 0.000 0.000 0.217 216 A C 2.357 179.925 177.584 -0.027 0.000 1.181 216 A CA 1.730 53.755 52.037 -0.020 0.000 0.623 216 A CB -1.206 17.781 19.000 -0.022 0.000 0.818 216 A HN 0.572 nan 8.150 nan 0.000 0.443 217 G N -0.549 108.228 108.800 -0.038 0.000 2.418 217 G HA2 -0.005 3.955 3.960 0.000 0.000 0.217 217 G HA3 -0.005 3.955 3.960 0.000 0.000 0.217 217 G C 1.743 176.626 174.900 -0.029 0.000 1.158 217 G CA 1.515 46.582 45.100 -0.054 0.000 0.771 217 G HN 0.803 nan 8.290 nan 0.000 0.545 218 A N 1.109 123.920 122.820 -0.015 0.000 1.898 218 A HA 0.307 4.627 4.320 0.000 0.000 0.216 218 A C 2.819 180.406 177.584 0.005 0.000 1.181 218 A CA 2.221 54.260 52.037 0.004 0.000 0.620 218 A CB -0.783 18.216 19.000 -0.001 0.000 0.819 218 A HN 0.757 nan 8.150 nan 0.000 0.442 219 A N -0.156 122.661 122.820 -0.005 0.000 1.877 219 A HA -0.057 4.264 4.320 0.000 0.000 0.216 219 A C 2.119 179.699 177.584 -0.007 0.000 1.186 219 A CA 1.617 53.649 52.037 -0.007 0.000 0.620 219 A CB -0.570 18.422 19.000 -0.013 0.000 0.822 219 A HN 0.479 nan 8.150 nan 0.000 0.443 220 I N -0.496 120.068 120.570 -0.010 0.000 2.333 220 I HA -0.087 4.084 4.170 0.000 0.000 0.246 220 I C 2.697 178.821 176.117 0.011 0.000 1.106 220 I CA 0.953 62.247 61.300 -0.010 0.000 1.411 220 I CB -0.560 37.427 38.000 -0.022 0.000 1.082 220 I HN 0.364 nan 8.210 nan 0.000 0.420 221 G N 0.659 109.474 108.800 0.025 0.000 2.440 221 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 221 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 221 G C 1.866 176.810 174.900 0.074 0.000 1.154 221 G CA 0.889 46.035 45.100 0.077 0.000 0.767 221 G HN 0.480 nan 8.290 nan 0.000 0.552 222 A N 0.370 123.218 122.820 0.046 0.000 1.902 222 A HA -0.102 4.218 4.320 0.000 0.000 0.217 222 A C 2.348 179.945 177.584 0.022 0.000 1.181 222 A CA 1.954 54.010 52.037 0.032 0.000 0.623 222 A CB -0.394 18.616 19.000 0.018 0.000 0.818 222 A HN 0.478 nan 8.150 nan 0.000 0.443 223 Q N -0.797 119.011 119.800 0.014 0.000 2.123 223 Q HA -0.010 4.331 4.340 0.000 0.000 0.199 223 Q C 2.430 178.437 176.000 0.011 0.000 0.966 223 Q CA 1.112 56.918 55.803 0.005 0.000 0.845 223 Q CB -0.338 28.396 28.738 -0.007 0.000 0.907 223 Q HN 0.681 nan 8.270 nan 0.000 0.439 224 A N 1.115 123.949 122.820 0.024 0.000 1.873 224 A HA -0.098 4.222 4.320 0.000 0.000 0.215 224 A C 2.311 179.919 177.584 0.040 0.000 1.186 224 A CA 1.606 53.664 52.037 0.036 0.000 0.616 224 A CB -1.276 17.761 19.000 0.062 0.000 0.823 224 A HN 0.462 nan 8.150 nan 0.000 0.442 225 G N -0.366 108.462 108.800 0.047 0.000 2.446 225 G HA2 -0.050 3.910 3.960 0.000 0.000 0.217 225 G HA3 -0.050 3.910 3.960 0.000 0.000 0.217 225 G C 1.745 176.656 174.900 0.017 0.000 1.168 225 G CA 1.593 46.713 45.100 0.034 0.000 0.771 225 G HN 0.860 nan 8.290 nan 0.000 0.551 226 A N 0.790 123.618 122.820 0.013 0.000 1.978 226 A HA 0.315 4.635 4.320 0.000 0.000 0.220 226 A C 2.536 180.122 177.584 0.004 0.000 1.170 226 A CA 2.094 54.134 52.037 0.005 0.000 0.636 226 A CB -0.426 18.575 19.000 0.002 0.000 0.810 226 A HN 0.886 nan 8.150 nan 0.000 0.448 227 A N -1.314 121.510 122.820 0.006 0.000 2.275 227 A HA 0.515 4.835 4.320 0.000 0.000 0.212 227 A C 0.897 178.486 177.584 0.007 0.000 1.201 227 A CA 0.328 52.367 52.037 0.003 0.000 0.843 227 A CB -0.632 18.368 19.000 -0.001 0.000 0.873 227 A HN 0.873 nan 8.150 nan 0.000 0.492 228 L N -1.532 119.698 121.223 0.011 0.000 3.717 228 L HA -0.217 4.123 4.340 0.000 0.000 0.411 228 L C -0.362 176.521 176.870 0.023 0.000 1.233 228 L CA 0.674 55.522 54.840 0.014 0.000 0.917 228 L CB -1.892 40.172 42.059 0.008 0.000 1.902 228 L HN 0.382 nan 8.230 nan 0.000 0.894 229 K N 0.735 121.155 120.400 0.033 0.000 2.292 229 K HA 0.477 4.797 4.320 0.000 0.000 0.257 229 K C 0.068 176.718 176.600 0.083 0.000 0.940 229 K CA -0.885 55.432 56.287 0.051 0.000 0.811 229 K CB 2.400 34.923 32.500 0.037 0.000 1.120 229 K HN 0.001 nan 8.250 nan 0.000 0.428 230 K N 2.395 122.860 120.400 0.107 0.000 2.355 230 K HA 0.141 4.461 4.320 0.000 0.000 0.270 230 K C -0.450 176.285 176.600 0.225 0.000 1.003 230 K CA -0.249 56.122 56.287 0.140 0.000 0.957 230 K CB 0.362 32.930 32.500 0.113 0.000 0.939 230 K HN 0.829 nan 8.250 nan 0.000 0.482 231 C N 0.408 119.869 119.300 0.269 0.000 2.994 231 C HA 0.714 5.174 4.460 0.000 0.000 0.304 231 C C -0.576 174.593 174.990 0.298 0.000 1.273 231 C CA -1.131 58.066 59.018 0.298 0.000 1.537 231 C CB 0.803 28.663 27.740 0.201 0.000 2.001 231 C HN 0.437 nan 8.230 nan 0.000 0.471 232 V N 2.226 122.281 119.914 0.234 0.000 2.459 232 V HA 0.556 4.676 4.120 0.000 0.000 0.295 232 V C -0.323 175.705 176.094 -0.110 0.000 1.029 232 V CA -0.288 62.058 62.300 0.076 0.000 0.874 232 V CB 1.499 33.431 31.823 0.182 0.000 0.985 232 V HN 0.799 nan 8.190 nan 0.000 0.438 233 L N 4.918 125.891 121.223 -0.417 0.000 2.342 233 L HA 0.581 4.921 4.340 0.000 0.000 0.276 233 L C -0.284 176.429 176.870 -0.262 0.000 0.997 233 L CA -0.407 54.195 54.840 -0.397 0.000 0.838 233 L CB 1.729 43.385 42.059 -0.672 0.000 1.224 233 L HN 0.525 nan 8.230 nan 0.000 0.416 234 E N 5.620 125.755 120.200 -0.108 0.000 2.121 234 E HA 0.474 4.824 4.350 0.000 0.000 0.255 234 E C -0.544 176.048 176.600 -0.013 0.000 0.906 234 E CA -0.188 56.198 56.400 -0.023 0.000 0.745 234 E CB 2.024 31.776 29.700 0.085 0.000 1.155 234 E HN 0.524 nan 8.360 nan 0.000 0.424 235 L N 0.020 121.227 121.223 -0.027 0.000 2.664 235 L HA 0.606 4.946 4.340 0.000 0.000 0.253 235 L C 1.235 178.126 176.870 0.034 0.000 1.293 235 L CA -1.204 53.630 54.840 -0.010 0.000 1.280 235 L CB 0.161 42.208 42.059 -0.020 0.000 1.993 235 L HN 0.372 nan 8.230 nan 0.000 0.577 236 G N -1.348 107.491 108.800 0.065 0.000 2.684 236 G HA2 0.481 4.441 3.960 0.000 0.000 0.255 236 G HA3 0.481 4.441 3.960 0.000 0.000 0.255 236 G C -0.454 174.452 174.900 0.009 0.000 1.219 236 G CA 0.245 45.350 45.100 0.009 0.000 0.901 236 G HN 0.757 nan 8.290 nan 0.000 0.548 237 G N -2.229 106.431 108.800 -0.233 0.000 2.694 237 G HA2 0.478 4.438 3.960 0.000 0.000 0.290 237 G HA3 0.478 4.438 3.960 0.000 0.000 0.290 237 G C -0.835 173.674 174.900 -0.651 0.000 1.386 237 G CA 0.058 44.980 45.100 -0.298 0.000 0.872 237 G HN 1.033 nan 8.290 nan 0.000 0.475 238 S N 0.399 115.798 115.700 -0.502 0.000 2.359 238 S HA 0.307 4.777 4.470 0.000 0.000 0.148 238 S C -1.099 173.348 174.600 -0.255 0.000 1.610 238 S CA -0.633 57.310 58.200 -0.428 0.000 1.274 238 S CB -0.209 62.716 63.200 -0.458 0.000 1.380 238 S HN 0.438 nan 8.310 nan 0.000 0.380 239 D N 4.751 125.030 120.400 -0.201 0.000 2.425 239 D HA 0.258 4.898 4.640 0.000 0.000 0.247 239 D C -2.159 174.029 176.300 -0.187 0.000 1.147 239 D CA -0.982 52.935 54.000 -0.137 0.000 0.879 239 D CB 0.980 41.738 40.800 -0.070 0.000 1.179 239 D HN 0.327 nan 8.370 nan 0.000 0.456 240 P HA 0.241 nan 4.420 nan 0.000 0.278 240 P C -0.958 176.312 177.300 -0.051 0.000 1.238 240 P CA -0.526 62.486 63.100 -0.147 0.000 0.794 240 P CB 0.554 32.191 31.700 -0.105 0.000 0.955 241 F N 3.437 123.240 119.950 -0.245 0.000 2.610 241 F HA 0.479 5.006 4.527 0.000 0.000 0.355 241 F C -0.720 175.059 175.800 -0.035 0.000 1.140 241 F CA -0.951 56.987 58.000 -0.102 0.000 1.037 241 F CB 0.631 39.527 39.000 -0.174 0.000 1.287 241 F HN 0.089 nan 8.300 nan 0.000 0.457 242 I N 6.668 127.241 120.570 0.005 0.000 2.353 242 I HA 0.404 4.574 4.170 0.000 0.000 0.293 242 I C -0.859 175.282 176.117 0.039 0.000 0.992 242 I CA -0.952 60.358 61.300 0.016 0.000 1.268 242 I CB 1.586 39.571 38.000 -0.025 0.000 1.387 242 I HN 0.222 nan 8.210 nan 0.000 0.478 243 V N 7.399 127.326 119.914 0.022 0.000 2.407 243 V HA 0.424 4.545 4.120 0.000 0.000 0.291 243 V C 0.089 176.193 176.094 0.016 0.000 1.018 243 V CA -0.557 61.766 62.300 0.038 0.000 0.842 243 V CB 1.573 33.339 31.823 -0.095 0.000 0.996 243 V HN 0.511 nan 8.190 nan 0.000 0.426 244 L N 3.022 124.282 121.223 0.061 0.000 2.387 244 L HA 0.517 4.857 4.340 0.000 0.000 0.266 244 L C 1.361 178.268 176.870 0.061 0.000 1.059 244 L CA -0.791 54.077 54.840 0.047 0.000 0.801 244 L CB 0.973 43.058 42.059 0.044 0.000 1.223 244 L HN 0.503 nan 8.230 nan 0.000 0.456 245 N N 1.135 119.866 118.700 0.051 0.000 2.192 245 N HA -0.180 4.560 4.740 0.000 0.000 0.188 245 N C 0.821 176.369 175.510 0.065 0.000 1.013 245 N CA 1.311 54.394 53.050 0.055 0.000 0.863 245 N CB -0.292 38.222 38.487 0.045 0.000 0.990 245 N HN 0.634 nan 8.380 nan 0.000 0.430 246 D N -0.771 119.668 120.400 0.065 0.000 2.342 246 D HA 0.174 4.814 4.640 0.000 0.000 0.221 246 D C 0.256 176.612 176.300 0.092 0.000 1.101 246 D CA -0.295 53.746 54.000 0.068 0.000 0.837 246 D CB -0.453 40.378 40.800 0.052 0.000 0.938 246 D HN 0.091 nan 8.370 nan 0.000 0.508 247 A N 0.521 123.414 122.820 0.122 0.000 2.406 247 A HA 0.183 4.503 4.320 0.000 0.000 0.243 247 A C 0.310 177.999 177.584 0.175 0.000 1.082 247 A CA -0.340 51.810 52.037 0.188 0.000 0.786 247 A CB 0.199 19.342 19.000 0.238 0.000 1.029 247 A HN 0.152 nan 8.150 nan 0.000 0.495 248 D N 1.412 121.949 120.400 0.227 0.000 2.348 248 D HA 0.084 4.724 4.640 0.000 0.000 0.259 248 D C 0.879 177.268 176.300 0.150 0.000 1.296 248 D CA -0.276 53.834 54.000 0.183 0.000 0.931 248 D CB 0.438 41.365 40.800 0.212 0.000 1.067 248 D HN 0.365 nan 8.370 nan 0.000 0.503 249 L N 4.692 125.981 121.223 0.109 0.000 2.056 249 L HA -0.079 4.261 4.340 0.000 0.000 0.207 249 L C 1.933 178.828 176.870 0.042 0.000 1.078 249 L CA 1.808 56.705 54.840 0.095 0.000 0.749 249 L CB -0.531 41.587 42.059 0.097 0.000 0.901 249 L HN 0.397 nan 8.230 nan 0.000 0.433 250 E N -0.453 119.768 120.200 0.034 0.000 2.077 250 E HA -0.240 4.110 4.350 0.000 0.000 0.193 250 E C 2.070 178.669 176.600 -0.002 0.000 0.989 250 E CA 1.602 58.004 56.400 0.004 0.000 0.800 250 E CB -0.554 29.157 29.700 0.017 0.000 0.746 250 E HN 0.423 nan 8.360 nan 0.000 0.452 251 L N 0.216 121.467 121.223 0.047 0.000 2.046 251 L HA -0.016 4.324 4.340 0.000 0.000 0.208 251 L C 2.191 178.956 176.870 -0.176 0.000 1.077 251 L CA 2.156 57.046 54.840 0.083 0.000 0.747 251 L CB -1.066 41.162 42.059 0.281 0.000 0.896 251 L HN 0.190 nan 8.230 nan 0.000 0.432 252 A N -1.158 121.384 122.820 -0.464 0.000 1.908 252 A HA -0.191 4.129 4.320 0.000 0.000 0.218 252 A C 2.279 179.730 177.584 -0.223 0.000 1.181 252 A CA 2.205 53.681 52.037 -0.935 0.000 0.627 252 A CB -1.160 17.516 19.000 -0.540 0.000 0.818 252 A HN 0.309 nan 8.150 nan 0.000 0.445 253 V N 0.450 120.292 119.914 -0.121 0.000 2.343 253 V HA -0.240 3.880 4.120 0.000 0.000 0.247 253 V C 2.531 178.512 176.094 -0.188 0.000 1.051 253 V CA 2.155 64.335 62.300 -0.200 0.000 1.036 253 V CB -0.594 31.064 31.823 -0.275 0.000 0.654 253 V HN 0.463 nan 8.190 nan 0.000 0.451 254 K N 0.563 120.890 120.400 -0.122 0.000 2.057 254 K HA -0.087 4.234 4.320 0.000 0.000 0.207 254 K C 2.299 178.851 176.600 -0.081 0.000 1.049 254 K CA 1.633 57.894 56.287 -0.044 0.000 0.931 254 K CB -0.761 31.795 32.500 0.094 0.000 0.714 254 K HN 0.474 nan 8.250 nan 0.000 0.440 255 A N 1.582 124.236 122.820 -0.276 0.000 1.930 255 A HA -0.042 4.278 4.320 0.000 0.000 0.217 255 A C 2.443 179.965 177.584 -0.104 0.000 1.175 255 A CA 1.863 53.573 52.037 -0.545 0.000 0.627 255 A CB -0.536 18.227 19.000 -0.397 0.000 0.815 255 A HN 0.305 nan 8.150 nan 0.000 0.443 256 A N -0.478 122.218 122.820 -0.206 0.000 1.877 256 A HA -0.021 4.299 4.320 0.000 0.000 0.216 256 A C 2.238 179.829 177.584 0.012 0.000 1.186 256 A CA 1.860 53.642 52.037 -0.425 0.000 0.620 256 A CB -0.968 17.721 19.000 -0.519 0.000 0.822 256 A HN 0.380 nan 8.150 nan 0.000 0.443 257 V N -0.190 119.677 119.914 -0.079 0.000 2.295 257 V HA -0.229 3.891 4.120 0.000 0.000 0.246 257 V C 3.066 179.227 176.094 0.112 0.000 1.049 257 V CA 1.969 64.213 62.300 -0.093 0.000 1.024 257 V CB -1.241 30.399 31.823 -0.305 0.000 0.648 257 V HN 0.621 nan 8.190 nan 0.000 0.447 258 A N 0.485 123.366 122.820 0.103 0.000 1.902 258 A HA -0.089 4.232 4.320 0.000 0.000 0.217 258 A C 2.418 180.097 177.584 0.159 0.000 1.181 258 A CA 1.956 54.098 52.037 0.174 0.000 0.623 258 A CB -1.245 17.948 19.000 0.322 0.000 0.818 258 A HN 0.530 nan 8.150 nan 0.000 0.443 259 G N -0.552 108.336 108.800 0.147 0.000 2.418 259 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 259 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 259 G C 1.725 176.668 174.900 0.073 0.000 1.158 259 G CA 1.308 46.490 45.100 0.137 0.000 0.771 259 G HN 0.549 nan 8.290 nan 0.000 0.545 260 R N -0.516 120.021 120.500 0.061 0.000 2.075 260 R HA 0.072 4.412 4.340 0.000 0.000 0.226 260 R C 1.812 177.938 176.300 -0.290 0.000 1.114 260 R CA 1.044 57.056 56.100 -0.147 0.000 0.972 260 R CB -0.604 29.572 30.300 -0.207 0.000 0.869 260 R HN 0.413 nan 8.270 nan 0.000 0.437 261 Y N 0.574 120.918 120.300 0.074 0.000 2.462 261 Y HA 0.312 4.862 4.550 0.000 0.000 0.261 261 Y C 0.387 176.290 175.900 0.005 0.000 1.146 261 Y CA -0.290 57.824 58.100 0.023 0.000 1.283 261 Y CB 0.086 38.536 38.460 -0.015 0.000 1.090 261 Y HN -0.026 nan 8.280 nan 0.000 0.526 262 Q N 1.457 121.329 119.800 0.120 0.000 2.349 262 Q HA -0.091 4.249 4.340 0.000 0.000 0.287 262 Q C 0.465 176.483 176.000 0.031 0.000 1.044 262 Q CA 0.330 56.182 55.803 0.082 0.000 0.918 262 Q CB 0.309 29.103 28.738 0.092 0.000 1.242 262 Q HN 0.391 nan 8.270 nan 0.000 0.405 263 N N 1.076 119.774 118.700 -0.003 0.000 2.727 263 N HA -0.204 4.536 4.740 0.000 0.000 0.249 263 N C -0.977 174.492 175.510 -0.069 0.000 1.048 263 N CA 1.275 54.272 53.050 -0.089 0.000 0.714 263 N CB -1.236 37.113 38.487 -0.231 0.000 0.959 263 N HN 0.764 nan 8.380 nan 0.000 0.544 264 T N -1.667 112.888 114.554 0.001 0.000 3.897 264 T HA -0.105 4.245 4.350 0.000 0.000 0.353 264 T C 1.381 176.084 174.700 0.005 0.000 0.758 264 T CA 1.928 64.052 62.100 0.040 0.000 1.883 264 T CB -1.921 66.956 68.868 0.014 0.000 1.849 264 T HN 1.650 nan 8.240 nan 0.000 0.791 265 G N 0.135 108.914 108.800 -0.035 0.000 2.176 265 G HA2 -0.301 3.659 3.960 0.000 0.000 0.253 265 G HA3 -0.301 3.659 3.960 0.000 0.000 0.253 265 G C 0.041 174.721 174.900 -0.367 0.000 0.979 265 G CA 0.325 45.342 45.100 -0.139 0.000 0.641 265 G HN 0.688 nan 8.290 nan 0.000 0.530 266 Q N 0.430 119.970 119.800 -0.433 0.000 3.135 266 Q HA 0.522 4.862 4.340 0.000 0.000 0.344 266 Q C -0.495 174.993 176.000 -0.852 0.000 1.321 266 Q CA -0.090 55.144 55.803 -0.948 0.000 1.050 266 Q CB 1.165 29.688 28.738 -0.357 0.000 1.498 266 Q HN 0.286 nan 8.270 nan 0.000 0.503 267 V N 0.111 119.647 119.914 -0.629 0.000 2.686 267 V HA 0.039 4.159 4.120 0.000 0.000 0.306 267 V C 1.059 177.280 176.094 0.211 0.000 1.065 267 V CA -0.868 61.448 62.300 0.026 0.000 0.894 267 V CB 1.433 33.329 31.823 0.122 0.000 1.004 267 V HN 0.761 nan 8.190 nan 0.000 0.424 268 C N 2.200 121.742 119.300 0.403 0.000 2.413 268 C HA 0.009 4.469 4.460 0.000 0.000 0.276 268 C C 1.946 177.050 174.990 0.189 0.000 1.236 268 C CA 0.987 60.205 59.018 0.333 0.000 1.735 268 C CB -1.039 26.871 27.740 0.283 0.000 2.031 268 C HN 0.973 nan 8.230 nan 0.000 0.474 269 A N 0.935 123.888 122.820 0.222 0.000 2.476 269 A HA 0.682 5.002 4.320 0.000 0.000 0.263 269 A C 1.074 178.708 177.584 0.083 0.000 1.342 269 A CA 0.506 52.639 52.037 0.160 0.000 0.926 269 A CB -1.049 18.129 19.000 0.297 0.000 1.019 269 A HN 0.933 nan 8.150 nan 0.000 0.515 270 A N 0.097 122.944 122.820 0.045 0.000 2.466 270 A HA 0.521 4.841 4.320 0.000 0.000 0.238 270 A C 0.863 178.418 177.584 -0.049 0.000 1.074 270 A CA 0.299 52.331 52.037 -0.009 0.000 0.774 270 A CB -0.029 18.930 19.000 -0.068 0.000 1.015 270 A HN 1.479 nan 8.150 nan 0.000 0.498 271 A N 1.447 124.243 122.820 -0.041 0.000 2.444 271 A HA 0.421 4.741 4.320 0.000 0.000 0.273 271 A C 0.840 178.190 177.584 -0.389 0.000 1.136 271 A CA -0.056 51.883 52.037 -0.163 0.000 0.799 271 A CB -0.036 18.951 19.000 -0.022 0.000 1.081 271 A HN 0.849 nan 8.150 nan 0.000 0.509 272 K N 1.737 121.867 120.400 -0.450 0.000 2.436 272 K HA 0.112 4.432 4.320 0.000 0.000 0.198 272 K C 0.090 176.409 176.600 -0.468 0.000 1.174 272 K CA 0.364 56.422 56.287 -0.383 0.000 0.951 272 K CB 0.690 33.035 32.500 -0.257 0.000 1.040 272 K HN 0.647 nan 8.250 nan 0.000 0.536 273 R N 1.278 121.436 120.500 -0.570 0.000 2.310 273 R HA 0.282 4.623 4.340 0.000 0.000 0.316 273 R C -1.285 174.722 176.300 -0.488 0.000 1.004 273 R CA -0.462 55.377 56.100 -0.434 0.000 0.900 273 R CB 0.608 30.643 30.300 -0.442 0.000 1.152 273 R HN -0.119 nan 8.270 nan 0.000 0.513 274 F N 3.727 123.617 119.950 -0.101 0.000 2.424 274 F HA 0.338 4.865 4.527 0.000 0.000 0.356 274 F C 0.654 176.387 175.800 -0.112 0.000 1.110 274 F CA -0.392 57.526 58.000 -0.136 0.000 1.161 274 F CB 0.717 39.545 39.000 -0.287 0.000 1.115 274 F HN 0.258 nan 8.300 nan 0.000 0.507 275 I N 5.165 125.753 120.570 0.030 0.000 2.420 275 I HA 0.337 4.507 4.170 0.000 0.000 0.282 275 I C -0.998 175.079 176.117 -0.067 0.000 1.019 275 I CA -0.877 60.419 61.300 -0.007 0.000 1.130 275 I CB 1.241 39.243 38.000 0.003 0.000 1.262 275 I HN 0.317 nan 8.210 nan 0.000 0.454 276 V N 2.065 121.917 119.914 -0.103 0.000 2.487 276 V HA 0.505 4.625 4.120 0.000 0.000 0.298 276 V C -0.064 175.994 176.094 -0.060 0.000 1.028 276 V CA -0.772 61.436 62.300 -0.153 0.000 0.860 276 V CB 1.633 33.273 31.823 -0.304 0.000 0.991 276 V HN 0.752 nan 8.190 nan 0.000 0.427 277 E N 2.533 122.714 120.200 -0.032 0.000 2.442 277 E HA -0.013 4.337 4.350 0.000 0.000 0.262 277 E C 1.013 177.626 176.600 0.022 0.000 1.004 277 E CA 0.529 56.934 56.400 0.008 0.000 0.928 277 E CB 0.867 30.579 29.700 0.022 0.000 0.937 277 E HN 0.943 nan 8.360 nan 0.000 0.446 278 E N 2.708 122.930 120.200 0.038 0.000 2.114 278 E HA -0.249 4.101 4.350 0.000 0.000 0.199 278 E C 1.671 178.295 176.600 0.041 0.000 1.008 278 E CA 1.542 57.966 56.400 0.041 0.000 0.810 278 E CB -0.239 29.488 29.700 0.046 0.000 0.739 278 E HN 0.820 nan 8.360 nan 0.000 0.456 279 G N 0.725 109.549 108.800 0.040 0.000 2.422 279 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 279 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 279 G C 1.501 176.431 174.900 0.050 0.000 1.146 279 G CA 0.739 45.864 45.100 0.042 0.000 0.769 279 G HN 0.380 nan 8.290 nan 0.000 0.547 280 I N 0.200 120.804 120.570 0.057 0.000 4.057 280 I HA 0.348 4.518 4.170 0.000 0.000 0.334 280 I C 2.667 178.848 176.117 0.107 0.000 1.308 280 I CA 0.566 61.915 61.300 0.081 0.000 1.125 280 I CB 0.260 38.312 38.000 0.086 0.000 1.034 280 I HN 0.173 nan 8.210 nan 0.000 0.401 281 A N 0.578 123.445 122.820 0.078 0.000 1.892 281 A HA -0.319 4.001 4.320 0.000 0.000 0.218 281 A C 2.164 179.829 177.584 0.134 0.000 1.188 281 A CA 2.240 54.333 52.037 0.092 0.000 0.631 281 A CB -0.589 18.444 19.000 0.055 0.000 0.822 281 A HN 0.506 nan 8.150 nan 0.000 0.447 282 Q N -0.522 119.335 119.800 0.095 0.000 2.079 282 Q HA 0.030 4.370 4.340 0.000 0.000 0.200 282 Q C 2.112 178.163 176.000 0.085 0.000 0.974 282 Q CA 2.068 57.920 55.803 0.082 0.000 0.840 282 Q CB -0.621 28.150 28.738 0.055 0.000 0.898 282 Q HN 0.570 nan 8.270 nan 0.000 0.430 283 A N -0.393 122.481 122.820 0.090 0.000 1.902 283 A HA -0.156 4.164 4.320 0.000 0.000 0.217 283 A C 2.029 179.663 177.584 0.085 0.000 1.181 283 A CA 1.395 53.476 52.037 0.072 0.000 0.623 283 A CB -1.052 17.992 19.000 0.073 0.000 0.818 283 A HN 0.559 nan 8.150 nan 0.000 0.443 284 F N 1.404 121.356 119.950 0.002 0.000 2.069 284 F HA -0.195 4.332 4.527 0.000 0.000 0.298 284 F C 2.499 178.297 175.800 -0.003 0.000 1.113 284 F CA 2.453 60.447 58.000 -0.010 0.000 1.214 284 F CB -0.636 38.351 39.000 -0.022 0.000 0.978 284 F HN 0.217 nan 8.300 nan 0.000 0.474 285 T N 0.215 114.870 114.554 0.169 0.000 2.684 285 T HA -0.208 4.143 4.350 0.000 0.000 0.267 285 T C 1.446 176.138 174.700 -0.012 0.000 1.036 285 T CA 1.682 63.825 62.100 0.072 0.000 1.148 285 T CB -0.497 68.442 68.868 0.117 0.000 0.863 285 T HN 0.273 nan 8.240 nan 0.000 0.436 286 D N 0.891 121.286 120.400 -0.009 0.000 2.104 286 D HA -0.060 4.580 4.640 0.000 0.000 0.194 286 D C 2.423 178.676 176.300 -0.079 0.000 0.994 286 D CA 1.102 55.085 54.000 -0.028 0.000 0.830 286 D CB -0.229 40.562 40.800 -0.015 0.000 0.959 286 D HN 0.344 nan 8.370 nan 0.000 0.452 287 R N -0.667 119.760 120.500 -0.122 0.000 2.090 287 R HA -0.028 4.312 4.340 0.000 0.000 0.228 287 R C 2.321 178.468 176.300 -0.256 0.000 1.110 287 R CA 0.429 56.424 56.100 -0.176 0.000 0.973 287 R CB -0.431 29.761 30.300 -0.180 0.000 0.869 287 R HN 0.171 nan 8.270 nan 0.000 0.440 288 F N 1.211 120.850 119.950 -0.518 0.000 2.095 288 F HA -0.240 4.287 4.527 0.000 0.000 0.298 288 F C 2.072 177.685 175.800 -0.311 0.000 1.104 288 F CA 1.396 59.056 58.000 -0.567 0.000 1.232 288 F CB -0.149 38.315 39.000 -0.893 0.000 0.987 288 F HN -0.275 nan 8.300 nan 0.000 0.475 289 V N 0.377 120.288 119.914 -0.005 0.000 2.343 289 V HA -0.318 3.803 4.120 0.000 0.000 0.247 289 V C 2.677 178.687 176.094 -0.140 0.000 1.051 289 V CA 1.750 64.038 62.300 -0.019 0.000 1.036 289 V CB -1.495 30.346 31.823 0.030 0.000 0.654 289 V HN 0.495 nan 8.190 nan 0.000 0.451 290 A N -0.095 122.635 122.820 -0.150 0.000 1.902 290 A HA -0.085 4.235 4.320 0.000 0.000 0.217 290 A C 2.402 179.861 177.584 -0.208 0.000 1.181 290 A CA 2.037 53.983 52.037 -0.152 0.000 0.623 290 A CB -0.690 18.236 19.000 -0.123 0.000 0.818 290 A HN 0.562 nan 8.150 nan 0.000 0.443 291 A N -0.262 122.387 122.820 -0.286 0.000 1.897 291 A HA 0.251 4.571 4.320 0.000 0.000 0.215 291 A C 2.481 179.833 177.584 -0.388 0.000 1.181 291 A CA 1.805 53.650 52.037 -0.321 0.000 0.620 291 A CB -0.935 17.844 19.000 -0.368 0.000 0.821 291 A HN 1.000 nan 8.150 nan 0.000 0.443 292 A N -0.040 122.476 122.820 -0.507 0.000 1.933 292 A HA 0.172 4.492 4.320 0.000 0.000 0.218 292 A C 2.440 179.782 177.584 -0.403 0.000 1.175 292 A CA 1.947 53.636 52.037 -0.581 0.000 0.628 292 A CB -0.908 17.765 19.000 -0.544 0.000 0.814 292 A HN 1.042 nan 8.150 nan 0.000 0.444 293 A N -0.521 122.138 122.820 -0.269 0.000 2.015 293 A HA 0.268 4.588 4.320 0.000 0.000 0.219 293 A C 2.253 179.728 177.584 -0.182 0.000 1.163 293 A CA 1.683 53.606 52.037 -0.191 0.000 0.646 293 A CB -0.612 18.307 19.000 -0.136 0.000 0.806 293 A HN 1.015 nan 8.150 nan 0.000 0.448 294 A N -0.722 121.981 122.820 -0.196 0.000 2.178 294 A HA 0.412 4.732 4.320 0.000 0.000 0.211 294 A C 0.870 178.354 177.584 -0.167 0.000 1.157 294 A CA -0.262 51.678 52.037 -0.161 0.000 0.780 294 A CB -0.349 18.563 19.000 -0.147 0.000 0.828 294 A HN 0.422 nan 8.150 nan 0.000 0.476 295 L N 1.106 122.198 121.223 -0.219 0.000 2.490 295 L HA 0.046 4.387 4.340 0.000 0.000 0.274 295 L C 0.538 177.314 176.870 -0.157 0.000 1.201 295 L CA 0.232 54.949 54.840 -0.205 0.000 0.869 295 L CB 0.398 42.278 42.059 -0.298 0.000 1.123 295 L HN 0.286 nan 8.230 nan 0.000 0.484 299 D N 1.425 121.868 120.400 0.071 0.000 2.662 299 D HA 0.095 4.735 4.640 0.000 0.000 0.237 299 D C -0.755 175.595 176.300 0.084 0.000 1.154 299 D CA -0.934 53.136 54.000 0.116 0.000 0.861 299 D CB 1.398 42.225 40.800 0.046 0.000 1.146 299 D HN 0.068 nan 8.370 nan 0.000 0.518 300 P HA -0.041 nan 4.420 nan 0.000 0.241 300 P C 1.467 178.777 177.300 0.018 0.000 1.191 300 P CA 0.354 63.477 63.100 0.038 0.000 0.771 300 P CB 0.217 31.924 31.700 0.011 0.000 0.929 301 L N -0.919 120.316 121.223 0.020 0.000 2.465 301 L HA 0.032 4.373 4.340 0.000 0.000 0.224 301 L C 0.815 177.689 176.870 0.006 0.000 1.145 301 L CA 0.311 55.157 54.840 0.010 0.000 0.834 301 L CB -0.265 41.801 42.059 0.011 0.000 0.944 301 L HN -0.220 nan 8.230 nan 0.000 0.451 302 V N 0.595 120.513 119.914 0.007 0.000 2.385 302 V HA 0.032 4.152 4.120 0.000 0.000 0.269 302 V C 1.373 177.464 176.094 -0.004 0.000 1.043 302 V CA -0.184 62.115 62.300 -0.001 0.000 0.906 302 V CB 1.445 33.264 31.823 -0.006 0.000 0.995 302 V HN 0.202 nan 8.190 nan 0.000 0.467 303 E N 4.076 124.271 120.200 -0.007 0.000 2.153 303 E HA -0.215 4.135 4.350 0.000 0.000 0.194 303 E C 1.843 178.436 176.600 -0.012 0.000 0.988 303 E CA 1.688 58.083 56.400 -0.008 0.000 0.811 303 E CB 0.398 30.092 29.700 -0.009 0.000 0.746 303 E HN 0.952 nan 8.360 nan 0.000 0.466 304 E N -0.092 120.098 120.200 -0.016 0.000 2.481 304 E HA -0.023 4.327 4.350 0.000 0.000 0.195 304 E C 0.159 176.744 176.600 -0.026 0.000 1.047 304 E CA -0.216 56.171 56.400 -0.022 0.000 0.867 304 E CB -0.008 29.676 29.700 -0.026 0.000 0.858 304 E HN -0.049 nan 8.360 nan 0.000 0.513 305 N N 2.134 120.822 118.700 -0.020 0.000 2.497 305 N HA -0.003 4.737 4.740 0.000 0.000 0.268 305 N C 0.037 175.538 175.510 -0.015 0.000 1.171 305 N CA 0.064 53.102 53.050 -0.020 0.000 0.948 305 N CB 1.242 39.727 38.487 -0.004 0.000 1.069 305 N HN 0.181 nan 8.380 nan 0.000 0.460 306 D N 1.326 121.710 120.400 -0.027 0.000 2.271 306 D HA 0.072 4.712 4.640 0.000 0.000 0.206 306 D C 0.246 176.544 176.300 -0.004 0.000 0.967 306 D CA 0.822 54.807 54.000 -0.024 0.000 0.867 306 D CB 0.823 41.592 40.800 -0.052 0.000 0.960 306 D HN 0.355 nan 8.370 nan 0.000 0.509 307 L N 0.226 121.452 121.223 0.005 0.000 2.386 307 L HA 0.536 4.876 4.340 0.000 0.000 0.271 307 L C 0.647 177.568 176.870 0.084 0.000 0.993 307 L CA -0.824 54.038 54.840 0.037 0.000 0.819 307 L CB 2.557 44.633 42.059 0.029 0.000 1.294 307 L HN -0.156 nan 8.230 nan 0.000 0.414 308 G N 1.715 110.554 108.800 0.065 0.000 2.795 308 G HA2 0.702 4.662 3.960 0.000 0.000 0.267 308 G HA3 0.702 4.662 3.960 0.000 0.000 0.267 308 G C -2.749 172.126 174.900 -0.041 0.000 1.362 308 G CA -1.102 44.039 45.100 0.068 0.000 1.048 308 G HN 0.334 nan 8.290 nan 0.000 0.547 312 R N -0.868 119.270 120.500 -0.604 0.000 2.561 312 R HA 0.596 4.936 4.340 0.000 0.000 0.297 312 R C -0.161 175.981 176.300 -0.262 0.000 0.969 312 R CA -0.727 55.139 56.100 -0.391 0.000 0.879 312 R CB 1.011 31.104 30.300 -0.347 0.000 1.178 312 R HN 0.235 nan 8.270 nan 0.000 0.445 313 F N 1.388 121.265 119.950 -0.121 0.000 2.134 313 F HA -0.251 4.276 4.527 0.000 0.000 0.299 313 F C 2.310 178.092 175.800 -0.031 0.000 1.097 313 F CA 1.759 59.720 58.000 -0.065 0.000 1.264 313 F CB 0.023 38.994 39.000 -0.049 0.000 1.001 313 F HN 0.642 nan 8.300 nan 0.000 0.479 314 D N 0.449 120.941 120.400 0.153 0.000 2.178 314 D HA -0.185 4.455 4.640 0.000 0.000 0.201 314 D C 1.933 178.276 176.300 0.072 0.000 0.980 314 D CA 1.337 55.399 54.000 0.103 0.000 0.842 314 D CB -0.982 39.871 40.800 0.089 0.000 0.948 314 D HN 0.312 nan 8.370 nan 0.000 0.472 315 L N -0.393 120.856 121.223 0.043 0.000 2.156 315 L HA 0.040 4.380 4.340 0.000 0.000 0.208 315 L C 2.934 179.814 176.870 0.016 0.000 1.095 315 L CA 0.579 55.453 54.840 0.057 0.000 0.770 315 L CB -0.426 41.697 42.059 0.106 0.000 0.914 315 L HN 0.016 nan 8.230 nan 0.000 0.439 316 R N 0.411 120.892 120.500 -0.031 0.000 2.096 316 R HA -0.181 4.159 4.340 0.000 0.000 0.235 316 R C 1.812 178.106 176.300 -0.008 0.000 1.127 316 R CA 1.696 57.758 56.100 -0.063 0.000 0.968 316 R CB -0.082 30.188 30.300 -0.050 0.000 0.861 316 R HN 0.305 nan 8.270 nan 0.000 0.440 317 D N 0.292 120.726 120.400 0.057 0.000 2.097 317 D HA -0.199 4.441 4.640 0.000 0.000 0.195 317 D C 1.682 178.036 176.300 0.090 0.000 0.989 317 D CA 1.281 55.344 54.000 0.106 0.000 0.827 317 D CB -0.139 40.728 40.800 0.111 0.000 0.966 317 D HN 0.427 nan 8.370 nan 0.000 0.456 318 E N 0.163 120.399 120.200 0.061 0.000 2.077 318 E HA -0.184 4.166 4.350 0.000 0.000 0.193 318 E C 2.248 178.861 176.600 0.021 0.000 0.989 318 E CA 0.551 56.981 56.400 0.050 0.000 0.800 318 E CB -0.106 29.628 29.700 0.058 0.000 0.746 318 E HN 0.083 nan 8.360 nan 0.000 0.452 319 L N 0.709 121.918 121.223 -0.024 0.000 2.046 319 L HA -0.187 4.154 4.340 0.000 0.000 0.208 319 L C 2.409 179.207 176.870 -0.121 0.000 1.077 319 L CA 2.313 57.093 54.840 -0.100 0.000 0.747 319 L CB -0.679 41.247 42.059 -0.222 0.000 0.896 319 L HN 0.268 nan 8.230 nan 0.000 0.432 320 H N -0.658 118.280 119.070 -0.219 0.000 2.353 320 H HA -0.156 4.401 4.556 0.000 0.000 0.300 320 H C 2.187 177.543 175.328 0.046 0.000 1.090 320 H CA 2.165 58.190 56.048 -0.039 0.000 1.327 320 H CB 0.003 29.844 29.762 0.131 0.000 1.383 320 H HN 0.511 nan 8.280 nan 0.000 0.508 321 Q N -0.212 119.576 119.800 -0.019 0.000 2.124 321 Q HA -0.190 4.151 4.340 0.000 0.000 0.202 321 Q C 2.311 178.284 176.000 -0.045 0.000 0.977 321 Q CA 1.588 57.359 55.803 -0.053 0.000 0.850 321 Q CB -0.016 28.730 28.738 0.014 0.000 0.901 321 Q HN 0.688 nan 8.270 nan 0.000 0.429 322 Q N -0.194 119.596 119.800 -0.018 0.000 2.079 322 Q HA -0.126 4.215 4.340 0.000 0.000 0.200 322 Q C 2.241 178.244 176.000 0.005 0.000 0.974 322 Q CA 1.350 57.156 55.803 0.005 0.000 0.840 322 Q CB -0.003 28.747 28.738 0.021 0.000 0.898 322 Q HN 0.191 nan 8.270 nan 0.000 0.430 323 V N 1.176 121.088 119.914 -0.004 0.000 2.261 323 V HA -0.309 3.811 4.120 0.000 0.000 0.246 323 V C 2.184 178.262 176.094 -0.026 0.000 1.047 323 V CA 1.969 64.287 62.300 0.029 0.000 1.015 323 V CB -0.647 31.253 31.823 0.128 0.000 0.642 323 V HN 0.385 nan 8.190 nan 0.000 0.446 324 Q N -0.212 119.506 119.800 -0.136 0.000 2.077 324 Q HA -0.248 4.092 4.340 0.000 0.000 0.206 324 Q C 2.417 178.393 176.000 -0.040 0.000 0.989 324 Q CA 2.021 57.749 55.803 -0.124 0.000 0.853 324 Q CB -0.468 28.150 28.738 -0.199 0.000 0.907 324 Q HN 0.689 nan 8.270 nan 0.000 0.418 325 A N 0.441 123.247 122.820 -0.024 0.000 1.877 325 A HA -0.192 4.128 4.320 0.000 0.000 0.216 325 A C 2.282 179.877 177.584 0.019 0.000 1.186 325 A CA 1.784 53.824 52.037 0.004 0.000 0.620 325 A CB -0.577 18.431 19.000 0.014 0.000 0.822 325 A HN 0.283 nan 8.150 nan 0.000 0.443 326 S N -0.364 115.353 115.700 0.028 0.000 2.368 326 S HA -0.138 4.332 4.470 0.000 0.000 0.225 326 S C 1.885 176.509 174.600 0.040 0.000 1.030 326 S CA 1.461 59.687 58.200 0.045 0.000 0.999 326 S CB -0.527 62.710 63.200 0.062 0.000 0.844 326 S HN 0.342 nan 8.310 nan 0.000 0.459 327 V N 2.069 122.003 119.914 0.034 0.000 2.343 327 V HA -0.194 3.926 4.120 0.000 0.000 0.247 327 V C 2.665 178.774 176.094 0.026 0.000 1.051 327 V CA 1.675 63.995 62.300 0.033 0.000 1.036 327 V CB -1.228 30.615 31.823 0.034 0.000 0.654 327 V HN 0.551 nan 8.190 nan 0.000 0.451 328 A N -0.431 122.400 122.820 0.019 0.000 1.972 328 A HA -0.239 4.081 4.320 0.000 0.000 0.219 328 A C 2.098 179.693 177.584 0.019 0.000 1.169 328 A CA 1.823 53.870 52.037 0.017 0.000 0.635 328 A CB -0.434 18.574 19.000 0.013 0.000 0.810 328 A HN 0.657 nan 8.150 nan 0.000 0.446 329 E N -1.991 118.223 120.200 0.022 0.000 2.435 329 E HA 0.226 4.576 4.350 0.000 0.000 0.195 329 E C 1.150 177.762 176.600 0.021 0.000 1.029 329 E CA 0.371 56.784 56.400 0.022 0.000 0.865 329 E CB -0.000 29.716 29.700 0.027 0.000 0.833 329 E HN 0.739 nan 8.360 nan 0.000 0.510 330 G N 0.600 109.414 108.800 0.024 0.000 2.227 330 G HA2 -0.167 3.793 3.960 0.000 0.000 0.168 330 G HA3 -0.167 3.793 3.960 0.000 0.000 0.168 330 G C 0.303 175.220 174.900 0.029 0.000 1.006 330 G CA -0.238 44.876 45.100 0.023 0.000 0.684 330 G HN 0.401 nan 8.290 nan 0.000 0.489 331 A N 0.247 123.089 122.820 0.037 0.000 2.445 331 A HA 0.663 4.983 4.320 0.000 0.000 0.242 331 A C 0.690 178.302 177.584 0.048 0.000 1.075 331 A CA 0.564 52.630 52.037 0.047 0.000 0.777 331 A CB 0.278 19.315 19.000 0.062 0.000 1.013 331 A HN 0.696 nan 8.150 nan 0.000 0.493 332 R N 1.749 122.280 120.500 0.051 0.000 2.229 332 R HA 0.408 4.748 4.340 0.000 0.000 0.328 332 R C -1.113 175.223 176.300 0.061 0.000 1.009 332 R CA -0.651 55.478 56.100 0.049 0.000 0.864 332 R CB 0.457 30.784 30.300 0.045 0.000 1.085 332 R HN 0.611 nan 8.270 nan 0.000 0.453 333 L N 6.539 127.798 121.223 0.060 0.000 2.325 333 L HA 0.156 4.496 4.340 0.000 0.000 0.284 333 L C 0.187 177.094 176.870 0.061 0.000 1.089 333 L CA 0.444 55.326 54.840 0.070 0.000 0.836 333 L CB 0.856 42.957 42.059 0.071 0.000 1.184 333 L HN 0.844 nan 8.230 nan 0.000 0.444 334 L N 5.073 126.338 121.223 0.071 0.000 2.416 334 L HA 0.254 4.594 4.340 0.000 0.000 0.216 334 L C -0.245 176.655 176.870 0.050 0.000 1.098 334 L CA 0.109 54.984 54.840 0.058 0.000 0.840 334 L CB 0.156 42.256 42.059 0.068 0.000 0.981 334 L HN 0.517 nan 8.230 nan 0.000 0.462 335 L N -1.034 120.227 121.223 0.064 0.000 2.592 335 L HA 0.645 4.985 4.340 0.000 0.000 0.258 335 L C 0.093 176.993 176.870 0.050 0.000 0.926 335 L CA 0.397 55.262 54.840 0.042 0.000 0.885 335 L CB 1.571 43.655 42.059 0.042 0.000 1.380 335 L HN 0.135 nan 8.230 nan 0.000 0.415 336 G N 2.977 111.780 108.800 0.005 0.000 2.531 336 G HA2 0.203 4.163 3.960 0.000 0.000 0.274 336 G HA3 0.203 4.163 3.960 0.000 0.000 0.274 336 G C 0.908 175.800 174.900 -0.013 0.000 1.159 336 G CA 0.657 45.738 45.100 -0.031 0.000 0.969 336 G HN 2.448 nan 8.290 nan 0.000 0.554 337 G N -0.564 108.238 108.800 0.004 0.000 2.160 337 G HA2 0.050 4.010 3.960 0.000 0.000 0.244 337 G HA3 0.050 4.010 3.960 0.000 0.000 0.244 337 G C -0.041 174.905 174.900 0.076 0.000 1.022 337 G CA 1.731 46.918 45.100 0.145 0.000 0.741 337 G HN 1.306 nan 8.290 nan 0.000 0.508 338 E N -0.615 119.363 120.200 -0.371 0.000 2.356 338 E HA 0.425 4.775 4.350 0.000 0.000 0.275 338 E C -0.182 175.988 176.600 -0.717 0.000 0.904 338 E CA -1.022 55.159 56.400 -0.365 0.000 0.757 338 E CB 1.603 31.183 29.700 -0.201 0.000 1.232 338 E HN 0.245 nan 8.360 nan 0.000 0.442 339 K N 1.917 122.075 120.400 -0.405 0.000 2.350 339 K HA 0.211 4.531 4.320 0.000 0.000 0.279 339 K C -0.089 176.436 176.600 -0.125 0.000 1.027 339 K CA -0.347 55.845 56.287 -0.157 0.000 0.969 339 K CB 0.534 33.007 32.500 -0.045 0.000 0.954 339 K HN 0.267 nan 8.250 nan 0.000 0.474 340 I N 2.652 123.194 120.570 -0.048 0.000 2.441 340 I HA 0.065 4.235 4.170 0.000 0.000 0.287 340 I C 0.823 176.949 176.117 0.015 0.000 1.049 340 I CA -0.421 60.860 61.300 -0.032 0.000 1.381 340 I CB 0.533 38.522 38.000 -0.018 0.000 1.409 340 I HN 0.687 nan 8.210 nan 0.000 0.523 341 A N 4.873 127.688 122.820 -0.009 0.000 2.511 341 A HA 0.567 4.887 4.320 0.000 0.000 0.242 341 A C 0.742 178.344 177.584 0.030 0.000 1.069 341 A CA 0.761 52.805 52.037 0.011 0.000 0.763 341 A CB -0.079 18.917 19.000 -0.007 0.000 1.001 341 A HN 1.199 nan 8.150 nan 0.000 0.498 342 G N 0.885 109.720 108.800 0.058 0.000 2.369 342 G HA2 0.143 4.103 3.960 0.000 0.000 0.307 342 G HA3 0.143 4.103 3.960 0.000 0.000 0.307 342 G C -0.011 174.961 174.900 0.119 0.000 1.327 342 G CA -0.055 45.090 45.100 0.075 0.000 0.963 342 G HN 0.562 nan 8.290 nan 0.000 0.590 343 E N -0.563 119.710 120.200 0.121 0.000 2.371 343 E HA 0.144 4.494 4.350 0.000 0.000 0.194 343 E C 1.672 178.418 176.600 0.243 0.000 1.012 343 E CA 0.534 57.016 56.400 0.135 0.000 0.860 343 E CB 0.258 30.008 29.700 0.083 0.000 0.811 343 E HN 0.667 nan 8.360 nan 0.000 0.502 344 G N 0.951 109.909 108.800 0.263 0.000 2.588 344 G HA2 0.011 3.971 3.960 0.000 0.000 0.281 344 G HA3 0.011 3.971 3.960 0.000 0.000 0.281 344 G C -0.013 174.963 174.900 0.127 0.000 1.236 344 G CA -0.434 44.800 45.100 0.223 0.000 0.969 344 G HN 0.015 nan 8.290 nan 0.000 0.504 345 N N -0.934 117.558 118.700 -0.347 0.000 2.761 345 N HA 0.223 4.963 4.740 0.000 0.000 0.317 345 N C -1.315 173.973 175.510 -0.371 0.000 1.546 345 N CA -0.460 52.262 53.050 -0.547 0.000 1.015 345 N CB -0.240 37.460 38.487 -1.311 0.000 1.343 345 N HN 0.367 nan 8.380 nan 0.000 0.504 346 Y N 0.285 120.546 120.300 -0.066 0.000 2.310 346 Y HA 0.333 4.883 4.550 0.000 0.000 0.326 346 Y C -0.457 175.473 175.900 0.050 0.000 1.151 346 Y CA -0.509 57.578 58.100 -0.022 0.000 1.195 346 Y CB 0.817 39.257 38.460 -0.034 0.000 1.210 346 Y HN 0.143 nan 8.280 nan 0.000 0.483 347 Y N 1.739 122.096 120.300 0.096 0.000 2.376 347 Y HA 0.674 5.224 4.550 0.000 0.000 0.340 347 Y C -0.152 175.794 175.900 0.077 0.000 0.965 347 Y CA -1.512 56.627 58.100 0.065 0.000 1.078 347 Y CB 1.100 39.591 38.460 0.051 0.000 1.193 347 Y HN 0.768 nan 8.280 nan 0.000 0.452 348 A N 4.044 126.641 122.820 -0.372 0.000 2.531 348 A HA 0.465 4.785 4.320 0.000 0.000 0.236 348 A C 0.197 177.773 177.584 -0.015 0.000 1.062 348 A CA 0.132 52.053 52.037 -0.194 0.000 0.760 348 A CB -0.489 18.355 19.000 -0.260 0.000 0.995 348 A HN 1.120 nan 8.150 nan 0.000 0.501 349 A N 2.892 125.708 122.820 -0.006 0.000 2.548 349 A HA 0.486 4.806 4.320 0.000 0.000 0.247 349 A C 0.619 178.261 177.584 0.097 0.000 1.067 349 A CA 0.755 52.810 52.037 0.029 0.000 0.757 349 A CB -0.379 18.461 19.000 -0.266 0.000 0.996 349 A HN 0.914 nan 8.150 nan 0.000 0.504 350 T N 1.894 116.619 114.554 0.286 0.000 2.876 350 T HA 0.567 4.917 4.350 0.000 0.000 0.289 350 T C -0.784 174.111 174.700 0.325 0.000 1.014 350 T CA -0.385 61.876 62.100 0.269 0.000 0.986 350 T CB 1.586 70.658 68.868 0.340 0.000 1.021 350 T HN 0.531 nan 8.240 nan 0.000 0.458 351 V N 3.897 123.956 119.914 0.243 0.000 2.577 351 V HA 0.504 4.624 4.120 0.000 0.000 0.303 351 V C -0.747 175.443 176.094 0.161 0.000 1.042 351 V CA -0.809 61.633 62.300 0.236 0.000 0.872 351 V CB 1.677 33.651 31.823 0.251 0.000 0.998 351 V HN 0.714 nan 8.190 nan 0.000 0.423 352 L N 4.354 125.664 121.223 0.145 0.000 2.296 352 L HA 0.901 5.241 4.340 0.000 0.000 0.286 352 L C 0.346 177.274 176.870 0.097 0.000 1.023 352 L CA -0.211 54.697 54.840 0.114 0.000 0.812 352 L CB 1.719 43.847 42.059 0.115 0.000 1.223 352 L HN 0.791 nan 8.230 nan 0.000 0.421 353 A N 1.303 124.172 122.820 0.081 0.000 2.347 353 A HA 0.629 4.949 4.320 0.000 0.000 0.301 353 A C -0.251 177.370 177.584 0.061 0.000 1.163 353 A CA -0.423 51.657 52.037 0.071 0.000 0.860 353 A CB 0.794 19.832 19.000 0.064 0.000 1.367 353 A HN 0.800 nan 8.150 nan 0.000 0.461 354 D N -1.108 119.323 120.400 0.052 0.000 2.837 354 D HA -0.128 4.512 4.640 0.000 0.000 0.230 354 D C -0.238 176.081 176.300 0.033 0.000 1.152 354 D CA 1.094 55.116 54.000 0.037 0.000 0.736 354 D CB -1.818 39.002 40.800 0.033 0.000 1.084 354 D HN 0.319 nan 8.370 nan 0.000 0.429 355 V N 0.911 120.855 119.914 0.050 0.000 2.488 355 V HA 0.338 4.458 4.120 0.000 0.000 0.277 355 V C 1.258 177.338 176.094 -0.023 0.000 1.046 355 V CA 0.335 62.669 62.300 0.057 0.000 0.986 355 V CB 1.470 33.376 31.823 0.139 0.000 0.989 355 V HN 0.338 nan 8.190 nan 0.000 0.475 356 T N 2.994 117.497 114.554 -0.085 0.000 2.950 356 T HA 0.475 4.826 4.350 0.000 0.000 0.288 356 T C -2.010 172.439 174.700 -0.419 0.000 1.035 356 T CA -2.176 59.786 62.100 -0.230 0.000 1.028 356 T CB 1.892 70.684 68.868 -0.126 0.000 1.109 356 T HN 0.361 nan 8.240 nan 0.000 0.514 357 P HA -0.015 nan 4.420 nan 0.000 0.223 357 P C 0.469 177.653 177.300 -0.193 0.000 1.144 357 P CA 0.830 63.412 63.100 -0.864 0.000 0.783 357 P CB -0.055 31.283 31.700 -0.604 0.000 0.771 361 A N 0.253 123.143 122.820 0.117 0.000 2.125 361 A HA 0.174 4.495 4.320 0.000 0.000 0.219 361 A C 1.628 179.293 177.584 0.135 0.000 1.156 361 A CA 1.391 53.495 52.037 0.111 0.000 0.671 361 A CB -0.686 18.381 19.000 0.113 0.000 0.794 361 A HN 0.493 nan 8.150 nan 0.000 0.459 362 F N -0.718 119.250 119.950 0.029 0.000 2.505 362 F HA 0.158 4.686 4.527 0.000 0.000 0.289 362 F C 2.305 178.140 175.800 0.058 0.000 1.101 362 F CA 0.624 58.640 58.000 0.027 0.000 1.446 362 F CB 0.244 39.257 39.000 0.021 0.000 1.123 362 F HN 0.042 nan 8.300 nan 0.000 0.564 363 R N -0.568 120.073 120.500 0.236 0.000 2.237 363 R HA 0.148 4.488 4.340 0.000 0.000 0.195 363 R C 0.083 176.515 176.300 0.221 0.000 0.956 363 R CA 0.204 56.429 56.100 0.208 0.000 1.029 363 R CB 0.096 30.510 30.300 0.190 0.000 0.972 363 R HN 0.207 nan 8.270 nan 0.000 0.493 364 Q N 0.899 120.803 119.800 0.172 0.000 2.248 364 Q HA 0.183 4.523 4.340 0.000 0.000 0.263 364 Q C -0.681 175.353 176.000 0.055 0.000 1.007 364 Q CA -0.381 55.537 55.803 0.192 0.000 0.877 364 Q CB 1.604 30.416 28.738 0.124 0.000 1.315 364 Q HN 0.070 nan 8.270 nan 0.000 0.454 365 E N 1.819 121.996 120.200 -0.038 0.000 2.217 365 E HA 0.146 4.496 4.350 0.000 0.000 0.279 365 E C -0.813 175.767 176.600 -0.033 0.000 1.068 365 E CA -0.113 56.141 56.400 -0.243 0.000 0.882 365 E CB 0.289 29.758 29.700 -0.386 0.000 1.039 365 E HN 0.385 nan 8.360 nan 0.000 0.418 366 L N 6.244 127.452 121.223 -0.026 0.000 2.288 366 L HA 0.244 4.584 4.340 0.000 0.000 0.283 366 L C -0.202 176.722 176.870 0.090 0.000 1.072 366 L CA -0.545 54.317 54.840 0.036 0.000 0.862 366 L CB 0.118 42.183 42.059 0.010 0.000 1.245 366 L HN 0.652 nan 8.230 nan 0.000 0.432 367 F N 3.355 123.285 119.950 -0.034 0.000 2.640 367 F HA 0.570 5.097 4.527 0.000 0.000 0.331 367 F C 0.798 176.622 175.800 0.039 0.000 1.200 367 F CA -0.346 57.654 58.000 -0.000 0.000 1.278 367 F CB 0.207 39.227 39.000 0.032 0.000 1.571 367 F HN 0.423 nan 8.300 nan 0.000 0.576 368 G N 1.728 110.489 108.800 -0.065 0.000 2.430 368 G HA2 0.251 4.211 3.960 0.000 0.000 0.300 368 G HA3 0.251 4.211 3.960 0.000 0.000 0.300 368 G C -3.133 171.778 174.900 0.018 0.000 1.330 368 G CA -0.824 44.255 45.100 -0.034 0.000 0.813 368 G HN -0.155 nan 8.290 nan 0.000 0.487 369 P HA 0.378 nan 4.420 nan 0.000 0.220 369 P C -0.623 176.900 177.300 0.371 0.000 1.806 369 P CA -0.139 63.144 63.100 0.305 0.000 0.976 369 P CB 0.398 32.359 31.700 0.435 0.000 1.952 370 V N 1.529 121.551 119.914 0.179 0.000 2.419 370 V HA 0.529 4.649 4.120 0.000 0.000 0.287 370 V C 0.432 176.603 176.094 0.127 0.000 1.017 370 V CA -1.070 61.353 62.300 0.206 0.000 0.844 370 V CB 1.582 33.503 31.823 0.164 0.000 1.011 370 V HN 0.338 nan 8.190 nan 0.000 0.429 371 A N 3.931 126.873 122.820 0.203 0.000 2.354 371 A HA 0.874 5.194 4.320 0.000 0.000 0.269 371 A C 0.361 178.048 177.584 0.171 0.000 1.109 371 A CA 0.024 52.188 52.037 0.213 0.000 0.800 371 A CB 0.881 20.029 19.000 0.246 0.000 1.045 371 A HN 1.342 nan 8.150 nan 0.000 0.489 372 A N 2.540 125.457 122.820 0.161 0.000 2.303 372 A HA 0.699 5.020 4.320 0.000 0.000 0.320 372 A C -0.510 177.178 177.584 0.173 0.000 1.192 372 A CA -0.401 51.717 52.037 0.135 0.000 0.821 372 A CB 0.351 19.409 19.000 0.096 0.000 1.188 372 A HN 0.731 nan 8.150 nan 0.000 0.492 373 I N 1.968 122.618 120.570 0.134 0.000 2.406 373 I HA 0.419 4.590 4.170 0.000 0.000 0.290 373 I C -0.308 175.871 176.117 0.103 0.000 0.999 373 I CA -0.207 61.166 61.300 0.120 0.000 1.124 373 I CB 2.424 40.465 38.000 0.069 0.000 1.289 373 I HN 0.542 nan 8.210 nan 0.000 0.441 374 T N 5.172 119.783 114.554 0.096 0.000 2.848 374 T HA 0.416 4.766 4.350 0.000 0.000 0.285 374 T C -0.309 174.398 174.700 0.012 0.000 0.995 374 T CA -0.462 61.677 62.100 0.065 0.000 0.970 374 T CB 2.101 71.051 68.868 0.137 0.000 0.976 374 T HN 0.139 nan 8.240 nan 0.000 0.441 375 V N 2.820 122.734 119.914 0.001 0.000 2.498 375 V HA 0.676 4.796 4.120 0.000 0.000 0.279 375 V C 0.453 176.533 176.094 -0.023 0.000 1.048 375 V CA -0.681 61.619 62.300 -0.000 0.000 0.967 375 V CB 1.020 32.860 31.823 0.029 0.000 0.988 375 V HN 1.069 nan 8.190 nan 0.000 0.473 376 A N 4.783 127.584 122.820 -0.031 0.000 2.324 376 A HA 0.612 4.932 4.320 0.000 0.000 0.330 376 A C 0.978 178.661 177.584 0.165 0.000 1.165 376 A CA -0.677 51.338 52.037 -0.036 0.000 0.813 376 A CB 0.955 19.890 19.000 -0.109 0.000 1.197 376 A HN 0.721 nan 8.150 nan 0.000 0.484 377 K N 0.766 121.420 120.400 0.424 0.000 2.097 377 K HA -0.031 4.290 4.320 0.000 0.000 0.205 377 K C -0.084 176.586 176.600 0.116 0.000 1.050 377 K CA 1.826 58.229 56.287 0.193 0.000 0.938 377 K CB -0.264 32.284 32.500 0.080 0.000 0.718 377 K HN 0.975 nan 8.250 nan 0.000 0.442 378 D N -3.877 116.605 120.400 0.135 0.000 2.792 378 D HA 0.255 4.895 4.640 0.000 0.000 0.335 378 D C 0.330 176.678 176.300 0.080 0.000 1.353 378 D CA -0.058 53.991 54.000 0.082 0.000 0.839 378 D CB 0.049 40.884 40.800 0.058 0.000 1.396 378 D HN -0.145 nan 8.370 nan 0.000 0.479 379 A N -0.015 122.837 122.820 0.052 0.000 1.933 379 A HA 0.190 4.510 4.320 0.000 0.000 0.218 379 A C 2.140 179.753 177.584 0.048 0.000 1.175 379 A CA 2.843 54.903 52.037 0.039 0.000 0.628 379 A CB -1.330 17.685 19.000 0.025 0.000 0.814 379 A HN 0.815 nan 8.150 nan 0.000 0.444 380 A N -1.254 121.601 122.820 0.059 0.000 1.902 380 A HA -0.217 4.103 4.320 0.000 0.000 0.217 380 A C 2.088 179.741 177.584 0.115 0.000 1.181 380 A CA 1.765 53.841 52.037 0.065 0.000 0.623 380 A CB -1.013 18.016 19.000 0.048 0.000 0.818 380 A HN 0.796 nan 8.150 nan 0.000 0.443 381 H N -0.583 118.492 119.070 0.009 0.000 2.353 381 H HA -0.075 4.481 4.556 0.000 0.000 0.300 381 H C 2.353 177.695 175.328 0.024 0.000 1.090 381 H CA 1.054 57.109 56.048 0.012 0.000 1.327 381 H CB 0.012 29.777 29.762 0.006 0.000 1.383 381 H HN 0.470 nan 8.280 nan 0.000 0.508 382 A N 1.139 123.969 122.820 0.016 0.000 1.883 382 A HA -0.189 4.131 4.320 0.000 0.000 0.217 382 A C 2.388 179.966 177.584 -0.011 0.000 1.186 382 A CA 1.571 53.579 52.037 -0.049 0.000 0.624 382 A CB -0.836 18.153 19.000 -0.018 0.000 0.822 382 A HN 0.462 nan 8.150 nan 0.000 0.444 383 L N -0.275 120.959 121.223 0.018 0.000 2.017 383 L HA -0.074 4.266 4.340 0.000 0.000 0.208 383 L C 2.665 179.557 176.870 0.037 0.000 1.073 383 L CA 2.334 57.186 54.840 0.020 0.000 0.745 383 L CB -0.849 41.222 42.059 0.020 0.000 0.894 383 L HN 0.344 nan 8.230 nan 0.000 0.432 384 A N -0.585 122.273 122.820 0.063 0.000 1.902 384 A HA -0.153 4.167 4.320 0.000 0.000 0.217 384 A C 2.260 179.902 177.584 0.097 0.000 1.181 384 A CA 1.916 54.003 52.037 0.084 0.000 0.623 384 A CB -0.901 18.172 19.000 0.122 0.000 0.818 384 A HN 0.508 nan 8.150 nan 0.000 0.443 385 L N -0.676 120.592 121.223 0.074 0.000 2.012 385 L HA -0.227 4.113 4.340 0.000 0.000 0.210 385 L C 3.128 180.125 176.870 0.212 0.000 1.073 385 L CA 1.173 56.107 54.840 0.157 0.000 0.748 385 L CB -0.624 41.457 42.059 0.037 0.000 0.891 385 L HN 0.435 nan 8.230 nan 0.000 0.431 386 A N 0.233 123.101 122.820 0.080 0.000 1.892 386 A HA -0.231 4.089 4.320 0.000 0.000 0.218 386 A C 1.987 179.581 177.584 0.017 0.000 1.188 386 A CA 2.161 54.208 52.037 0.016 0.000 0.631 386 A CB -0.598 18.397 19.000 -0.009 0.000 0.822 386 A HN 0.462 nan 8.150 nan 0.000 0.447 387 N N 0.121 118.845 118.700 0.040 0.000 2.494 387 N HA -0.042 4.699 4.740 0.000 0.000 0.182 387 N C -0.067 175.480 175.510 0.062 0.000 1.076 387 N CA 0.650 53.721 53.050 0.036 0.000 0.908 387 N CB -0.212 38.292 38.487 0.029 0.000 0.967 387 N HN 0.443 nan 8.380 nan 0.000 0.449 388 D N 0.600 121.072 120.400 0.119 0.000 2.608 388 D HA 0.133 4.774 4.640 0.000 0.000 0.224 388 D C -0.888 175.520 176.300 0.180 0.000 1.123 388 D CA 0.068 54.169 54.000 0.168 0.000 1.030 388 D CB -0.252 40.693 40.800 0.241 0.000 1.093 388 D HN -0.119 nan 8.370 nan 0.000 0.497 389 S N 1.365 117.116 115.700 0.085 0.000 2.547 389 S HA 0.204 4.675 4.470 0.000 0.000 0.270 389 S C 0.460 175.063 174.600 0.005 0.000 1.150 389 S CA -0.670 57.567 58.200 0.063 0.000 0.850 389 S CB 1.276 64.501 63.200 0.043 0.000 1.118 389 S HN 0.233 nan 8.310 nan 0.000 0.461 390 E N 1.348 121.498 120.200 -0.083 0.000 2.481 390 E HA 0.107 4.457 4.350 0.000 0.000 0.195 390 E C -0.560 175.806 176.600 -0.390 0.000 1.047 390 E CA 0.569 56.807 56.400 -0.268 0.000 0.867 390 E CB 0.169 29.617 29.700 -0.420 0.000 0.858 390 E HN 0.490 nan 8.360 nan 0.000 0.513 391 F N -0.186 119.737 119.950 -0.045 0.000 2.450 391 F HA 0.541 5.068 4.527 0.000 0.000 0.328 391 F C 1.020 176.783 175.800 -0.061 0.000 1.068 391 F CA -0.722 57.246 58.000 -0.055 0.000 1.007 391 F CB 1.734 40.694 39.000 -0.066 0.000 1.251 391 F HN -0.233 nan 8.300 nan 0.000 0.492 392 G N 1.240 110.127 108.800 0.144 0.000 4.836 392 G HA2 0.289 4.249 3.960 0.000 0.000 0.222 392 G HA3 0.289 4.249 3.960 0.000 0.000 0.222 392 G C -0.420 174.472 174.900 -0.012 0.000 1.332 392 G CA -0.171 44.951 45.100 0.038 0.000 0.606 392 G HN 0.546 nan 8.290 nan 0.000 0.357 393 L N 0.242 121.452 121.223 -0.021 0.000 2.115 393 L HA 0.615 4.955 4.340 0.000 0.000 0.200 393 L C 0.932 177.727 176.870 -0.125 0.000 1.094 393 L CA 1.538 56.312 54.840 -0.109 0.000 0.769 393 L CB 0.042 42.042 42.059 -0.099 0.000 0.931 393 L HN 0.219 nan 8.230 nan 0.000 0.455 394 S N -2.021 113.647 115.700 -0.052 0.000 2.720 394 S HA 0.897 5.367 4.470 0.000 0.000 0.287 394 S C -1.253 173.367 174.600 0.033 0.000 1.168 394 S CA -0.236 57.977 58.200 0.020 0.000 0.832 394 S CB 1.752 65.025 63.200 0.123 0.000 1.166 394 S HN 0.538 nan 8.310 nan 0.000 0.493 395 A N 0.507 123.380 122.820 0.087 0.000 2.612 395 A HA 0.818 5.138 4.320 0.000 0.000 0.293 395 A C -1.233 176.393 177.584 0.070 0.000 1.075 395 A CA -0.636 51.424 52.037 0.038 0.000 0.680 395 A CB 1.493 20.485 19.000 -0.012 0.000 1.279 395 A HN 0.552 nan 8.150 nan 0.000 0.411 396 T N 1.018 115.545 114.554 -0.045 0.000 2.893 396 T HA 0.683 5.033 4.350 0.000 0.000 0.293 396 T C -0.818 173.724 174.700 -0.263 0.000 1.027 396 T CA -0.115 61.878 62.100 -0.178 0.000 0.988 396 T CB 0.941 69.536 68.868 -0.456 0.000 1.043 396 T HN 0.505 nan 8.240 nan 0.000 0.461 397 I N 2.295 122.719 120.570 -0.244 0.000 2.499 397 I HA 0.484 4.654 4.170 0.000 0.000 0.288 397 I C -1.286 174.689 176.117 -0.237 0.000 1.048 397 I CA -0.763 60.428 61.300 -0.183 0.000 1.062 397 I CB 1.770 39.695 38.000 -0.125 0.000 1.238 397 I HN 0.495 nan 8.210 nan 0.000 0.426 398 F N 3.862 123.697 119.950 -0.190 0.000 2.402 398 F HA 0.648 5.175 4.527 0.000 0.000 0.355 398 F C 0.340 176.119 175.800 -0.035 0.000 1.123 398 F CA -0.288 57.658 58.000 -0.089 0.000 1.021 398 F CB 1.939 40.919 39.000 -0.034 0.000 1.160 398 F HN 0.344 nan 8.300 nan 0.000 0.451 399 T N 1.612 116.205 114.554 0.065 0.000 2.977 399 T HA 0.510 4.860 4.350 0.000 0.000 0.345 399 T C 0.189 174.908 174.700 0.031 0.000 1.562 399 T CA -0.014 62.121 62.100 0.059 0.000 1.090 399 T CB 1.203 70.084 68.868 0.022 0.000 1.383 399 T HN 0.578 nan 8.240 nan 0.000 0.484 400 A N 2.145 124.993 122.820 0.048 0.000 2.168 400 A HA 0.188 4.508 4.320 0.000 0.000 0.215 400 A C 0.926 178.518 177.584 0.014 0.000 1.152 400 A CA 0.688 52.745 52.037 0.034 0.000 0.716 400 A CB -0.242 18.785 19.000 0.045 0.000 0.794 400 A HN 0.722 nan 8.150 nan 0.000 0.465 401 D N 0.582 120.987 120.400 0.009 0.000 2.453 401 D HA 0.103 4.743 4.640 0.000 0.000 0.223 401 D C -0.050 176.243 176.300 -0.013 0.000 1.183 401 D CA -0.237 53.764 54.000 0.001 0.000 0.933 401 D CB 0.257 41.060 40.800 0.005 0.000 1.038 401 D HN 0.235 nan 8.370 nan 0.000 0.513 402 D N 1.913 122.304 120.400 -0.016 0.000 2.144 402 D HA -0.128 4.512 4.640 0.000 0.000 0.199 402 D C 1.463 177.747 176.300 -0.028 0.000 0.984 402 D CA 1.071 55.055 54.000 -0.027 0.000 0.834 402 D CB 0.214 41.000 40.800 -0.023 0.000 0.955 402 D HN 0.398 nan 8.370 nan 0.000 0.465 403 T N 1.585 116.128 114.554 -0.019 0.000 2.737 403 T HA -0.123 4.227 4.350 0.000 0.000 0.265 403 T C 1.959 176.647 174.700 -0.019 0.000 1.038 403 T CA 0.419 62.508 62.100 -0.018 0.000 1.144 403 T CB -0.293 68.568 68.868 -0.011 0.000 0.866 403 T HN 0.016 nan 8.240 nan 0.000 0.434 404 L N 1.543 122.757 121.223 -0.016 0.000 2.017 404 L HA 0.036 4.377 4.340 0.000 0.000 0.208 404 L C 2.597 179.452 176.870 -0.026 0.000 1.073 404 L CA 1.989 56.820 54.840 -0.015 0.000 0.745 404 L CB -1.088 40.966 42.059 -0.008 0.000 0.894 404 L HN 0.221 nan 8.230 nan 0.000 0.432 405 A N -0.463 122.335 122.820 -0.036 0.000 1.908 405 A HA -0.159 4.162 4.320 0.000 0.000 0.218 405 A C 2.457 180.007 177.584 -0.058 0.000 1.181 405 A CA 2.045 54.050 52.037 -0.055 0.000 0.627 405 A CB -1.240 17.715 19.000 -0.075 0.000 0.818 405 A HN 0.598 nan 8.150 nan 0.000 0.445 406 A N -0.251 122.539 122.820 -0.051 0.000 1.933 406 A HA -0.040 4.280 4.320 0.000 0.000 0.218 406 A C 1.265 178.824 177.584 -0.042 0.000 1.175 406 A CA 1.139 53.145 52.037 -0.050 0.000 0.628 406 A CB -0.359 18.616 19.000 -0.042 0.000 0.814 406 A HN 0.676 nan 8.150 nan 0.000 0.444 410 A N 0.432 123.224 122.820 -0.048 0.000 2.019 410 A HA -0.030 4.290 4.320 0.000 0.000 0.219 410 A C 1.902 179.466 177.584 -0.032 0.000 1.164 410 A CA 1.713 53.726 52.037 -0.040 0.000 0.644 410 A CB -0.418 18.563 19.000 -0.032 0.000 0.805 410 A HN 0.490 nan 8.150 nan 0.000 0.449 411 R N -1.311 119.172 120.500 -0.029 0.000 2.334 411 R HA 0.331 4.671 4.340 0.000 0.000 0.212 411 R C -0.423 175.865 176.300 -0.021 0.000 0.897 411 R CA -0.283 55.804 56.100 -0.020 0.000 1.056 411 R CB 0.064 30.356 30.300 -0.013 0.000 1.046 411 R HN 0.353 nan 8.270 nan 0.000 0.513 412 L N 2.100 123.305 121.223 -0.030 0.000 2.360 412 L HA 0.079 4.419 4.340 0.000 0.000 0.276 412 L C 0.124 176.975 176.870 -0.032 0.000 1.121 412 L CA 0.168 54.990 54.840 -0.030 0.000 0.845 412 L CB 0.928 42.963 42.059 -0.040 0.000 1.143 412 L HN 0.017 nan 8.230 nan 0.000 0.452 413 E N 3.869 124.055 120.200 -0.023 0.000 1.979 413 E HA 0.195 4.545 4.350 0.000 0.000 0.285 413 E C -0.701 175.882 176.600 -0.028 0.000 1.188 413 E CA -0.308 56.078 56.400 -0.024 0.000 1.214 413 E CB 0.121 29.813 29.700 -0.013 0.000 1.210 413 E HN 0.597 nan 8.360 nan 0.000 0.477 414 C N -2.872 116.402 119.300 -0.044 0.000 3.321 414 C HA 0.681 5.141 4.460 0.000 0.000 0.329 414 C C 1.357 176.297 174.990 -0.084 0.000 1.394 414 C CA -0.769 58.215 59.018 -0.056 0.000 1.291 414 C CB 0.794 28.506 27.740 -0.047 0.000 1.606 414 C HN 0.471 nan 8.230 nan 0.000 0.463 415 G N -0.564 108.166 108.800 -0.116 0.000 3.042 415 G HA2 0.530 4.490 3.960 0.000 0.000 0.212 415 G HA3 0.530 4.490 3.960 0.000 0.000 0.212 415 G C 0.491 175.296 174.900 -0.158 0.000 1.166 415 G CA 0.535 45.542 45.100 -0.155 0.000 0.767 415 G HN 1.715 nan 8.290 nan 0.000 0.546 416 G N -0.741 107.991 108.800 -0.114 0.000 2.753 416 G HA2 0.479 4.440 3.960 0.000 0.000 0.295 416 G HA3 0.479 4.440 3.960 0.000 0.000 0.295 416 G C -1.858 172.994 174.900 -0.079 0.000 1.437 416 G CA -0.333 44.707 45.100 -0.101 0.000 1.094 416 G HN 0.250 nan 8.290 nan 0.000 0.540 417 V N 1.932 121.702 119.914 -0.240 0.000 2.531 417 V HA 0.550 4.670 4.120 0.000 0.000 0.301 417 V C -1.081 174.780 176.094 -0.389 0.000 1.034 417 V CA -0.722 61.474 62.300 -0.172 0.000 0.865 417 V CB 1.459 33.195 31.823 -0.145 0.000 0.995 417 V HN 0.627 nan 8.190 nan 0.000 0.424 418 F N 4.781 124.674 119.950 -0.095 0.000 2.411 418 F HA 0.611 5.138 4.527 0.000 0.000 0.352 418 F C 0.215 175.890 175.800 -0.207 0.000 1.123 418 F CA -0.451 57.482 58.000 -0.111 0.000 1.044 418 F CB 1.435 40.401 39.000 -0.058 0.000 1.135 418 F HN 0.261 nan 8.300 nan 0.000 0.461 419 I N 4.525 125.020 120.570 -0.126 0.000 2.321 419 I HA 0.211 4.382 4.170 0.000 0.000 0.291 419 I C -0.236 175.657 176.117 -0.372 0.000 0.998 419 I CA -0.655 60.498 61.300 -0.246 0.000 1.227 419 I CB 0.807 38.697 38.000 -0.185 0.000 1.368 419 I HN 0.596 nan 8.210 nan 0.000 0.466 420 N N 4.672 122.880 118.700 -0.820 0.000 2.725 420 N HA -0.157 4.584 4.740 0.000 0.000 0.251 420 N C -0.213 174.928 175.510 -0.615 0.000 1.031 420 N CA 1.065 53.406 53.050 -1.182 0.000 0.720 420 N CB -0.755 37.438 38.487 -0.490 0.000 0.930 420 N HN 1.025 nan 8.380 nan 0.000 0.543 421 G N -1.440 107.096 108.800 -0.440 0.000 2.561 421 G HA2 0.515 4.475 3.960 0.000 0.000 0.310 421 G HA3 0.515 4.475 3.960 0.000 0.000 0.310 421 G C -1.829 173.218 174.900 0.244 0.000 1.292 421 G CA -0.858 44.330 45.100 0.146 0.000 0.811 421 G HN 0.067 nan 8.290 nan 0.000 0.482 422 Y N 1.625 122.007 120.300 0.137 0.000 2.331 422 Y HA 0.483 5.033 4.550 0.000 0.000 0.338 422 Y C 1.135 176.847 175.900 -0.315 0.000 0.976 422 Y CA -0.499 57.631 58.100 0.050 0.000 1.137 422 Y CB 1.805 40.295 38.460 0.051 0.000 1.172 422 Y HN 0.588 nan 8.280 nan 0.000 0.478 423 S N 2.562 118.000 115.700 -0.437 0.000 2.576 423 S HA 0.829 5.299 4.470 0.000 0.000 0.276 423 S C -0.140 174.043 174.600 -0.694 0.000 1.339 423 S CA -0.246 57.117 58.200 -1.395 0.000 1.039 423 S CB 1.404 64.107 63.200 -0.829 0.000 0.902 423 S HN 0.895 nan 8.310 nan 0.000 0.516 424 A N 1.602 124.020 122.820 -0.670 0.000 2.586 424 A HA 0.682 5.003 4.320 0.000 0.000 0.291 424 A C -0.219 177.352 177.584 -0.022 0.000 1.062 424 A CA -0.560 51.347 52.037 -0.217 0.000 0.666 424 A CB 0.474 19.365 19.000 -0.181 0.000 1.281 424 A HN 1.665 nan 8.150 nan 0.000 0.421 425 S N 0.671 116.299 115.700 -0.121 0.000 2.610 425 S HA 0.717 5.187 4.470 0.000 0.000 0.273 425 S C -0.660 173.890 174.600 -0.084 0.000 1.274 425 S CA -0.251 57.893 58.200 -0.095 0.000 1.023 425 S CB 1.475 64.427 63.200 -0.413 0.000 0.962 425 S HN 0.871 nan 8.310 nan 0.000 0.523 426 D N -0.052 120.345 120.400 -0.005 0.000 2.886 426 D HA 0.369 5.009 4.640 0.000 0.000 0.216 426 D C 0.699 176.899 176.300 -0.166 0.000 1.256 426 D CA -0.413 53.530 54.000 -0.096 0.000 0.844 426 D CB 1.961 42.715 40.800 -0.076 0.000 1.669 426 D HN 0.570 nan 8.370 nan 0.000 0.513 427 A N 3.612 126.221 122.820 -0.352 0.000 2.032 427 A HA -0.190 4.130 4.320 0.000 0.000 0.221 427 A C 1.804 178.797 177.584 -0.986 0.000 1.165 427 A CA 1.348 52.953 52.037 -0.720 0.000 0.645 427 A CB -0.223 18.043 19.000 -1.225 0.000 0.807 427 A HN 0.637 nan 8.150 nan 0.000 0.453 428 R N -1.064 118.991 120.500 -0.741 0.000 2.276 428 R HA 0.127 4.467 4.340 0.000 0.000 0.203 428 R C 0.262 176.494 176.300 -0.114 0.000 1.017 428 R CA 0.783 56.638 56.100 -0.409 0.000 1.010 428 R CB -0.132 30.050 30.300 -0.196 0.000 0.900 428 R HN 0.546 nan 8.270 nan 0.000 0.469 429 V N -4.213 115.657 119.914 -0.073 0.000 3.040 429 V HA 0.788 4.908 4.120 0.000 0.000 0.312 429 V C -0.429 175.717 176.094 0.087 0.000 1.115 429 V CA -1.609 60.714 62.300 0.038 0.000 0.998 429 V CB 1.732 33.568 31.823 0.021 0.000 1.042 429 V HN -0.024 nan 8.190 nan 0.000 0.433 430 A N 2.223 125.068 122.820 0.043 0.000 2.445 430 A HA 0.718 5.038 4.320 0.000 0.000 0.242 430 A C -0.841 176.780 177.584 0.061 0.000 1.075 430 A CA 0.031 52.030 52.037 -0.064 0.000 0.777 430 A CB 0.071 18.719 19.000 -0.587 0.000 1.013 430 A HN 1.469 nan 8.150 nan 0.000 0.493 431 F N 0.939 120.853 119.950 -0.059 0.000 2.547 431 F HA 0.639 5.167 4.527 0.000 0.000 0.316 431 F C 0.274 176.058 175.800 -0.027 0.000 1.121 431 F CA 0.797 58.791 58.000 -0.010 0.000 0.911 431 F CB 1.915 40.942 39.000 0.045 0.000 1.179 431 F HN 1.222 nan 8.300 nan 0.000 0.443 432 G N 2.340 110.720 108.800 -0.699 0.000 2.353 432 G HA2 0.458 4.418 3.960 0.000 0.000 0.308 432 G HA3 0.458 4.418 3.960 0.000 0.000 0.308 432 G C -1.476 173.218 174.900 -0.343 0.000 1.418 432 G CA -0.221 44.620 45.100 -0.432 0.000 0.966 432 G HN 1.213 nan 8.290 nan 0.000 0.638 433 G N -1.813 106.858 108.800 -0.214 0.000 3.222 433 G HA2 1.078 5.038 3.960 0.000 0.000 0.263 433 G HA3 1.078 5.038 3.960 0.000 0.000 0.263 433 G C -0.158 174.706 174.900 -0.060 0.000 1.312 433 G CA 0.613 45.628 45.100 -0.143 0.000 0.934 433 G HN 2.107 nan 8.290 nan 0.000 0.577 434 V N -3.701 116.193 119.914 -0.032 0.000 3.156 434 V HA 0.854 4.974 4.120 0.000 0.000 0.311 434 V C 0.490 176.587 176.094 0.005 0.000 1.208 434 V CA -0.338 61.962 62.300 -0.001 0.000 1.063 434 V CB 1.011 32.825 31.823 -0.014 0.000 1.098 434 V HN 1.123 nan 8.190 nan 0.000 0.452 435 K N -0.806 119.598 120.400 0.006 0.000 1.939 435 K HA -0.260 4.060 4.320 0.000 0.000 0.165 435 K C 1.024 177.604 176.600 -0.034 0.000 1.508 435 K CA 1.795 58.069 56.287 -0.023 0.000 0.525 435 K CB -1.119 31.351 32.500 -0.049 0.000 0.615 435 K HN 0.828 nan 8.250 nan 0.000 0.888 436 K N 1.084 121.412 120.400 -0.120 0.000 2.525 436 K HA 0.055 4.376 4.320 0.000 0.000 0.192 436 K C 1.485 178.056 176.600 -0.048 0.000 1.029 436 K CA 0.730 56.927 56.287 -0.150 0.000 1.029 436 K CB 0.070 32.358 32.500 -0.353 0.000 0.814 436 K HN 0.275 nan 8.250 nan 0.000 0.503 437 S N 0.520 116.238 115.700 0.031 0.000 2.555 437 S HA 0.029 4.499 4.470 0.000 0.000 0.230 437 S C 0.979 175.563 174.600 -0.027 0.000 0.978 437 S CA 0.612 58.855 58.200 0.073 0.000 0.934 437 S CB 0.083 63.326 63.200 0.071 0.000 0.766 437 S HN 0.663 nan 8.310 nan 0.000 0.533 438 G N 1.086 109.858 108.800 -0.046 0.000 2.408 438 G HA2 0.079 4.039 3.960 0.000 0.000 0.204 438 G HA3 0.079 4.039 3.960 0.000 0.000 0.204 438 G C -0.913 173.964 174.900 -0.038 0.000 1.186 438 G CA -0.419 44.577 45.100 -0.173 0.000 1.139 438 G HN 0.752 nan 8.290 nan 0.000 0.563 439 F N -2.371 117.567 119.950 -0.019 0.000 2.807 439 F HA 0.756 5.283 4.527 0.000 0.000 0.316 439 F C 0.449 176.237 175.800 -0.020 0.000 1.162 439 F CA -0.014 57.969 58.000 -0.029 0.000 0.910 439 F CB 0.886 39.871 39.000 -0.025 0.000 1.314 439 F HN 2.548 nan 8.300 nan 0.000 0.454 440 G N 1.378 110.340 108.800 0.270 0.000 2.712 440 G HA2 0.307 4.268 3.960 0.000 0.000 0.686 440 G HA3 0.307 4.268 3.960 0.000 0.000 0.686 440 G C -1.702 173.225 174.900 0.046 0.000 1.321 440 G CA -1.060 44.127 45.100 0.145 0.000 0.813 440 G HN 0.833 nan 8.290 nan 0.000 0.599 441 R N 0.497 121.026 120.500 0.047 0.000 2.744 441 R HA 0.600 4.940 4.340 0.000 0.000 0.279 441 R C -0.027 176.350 176.300 0.129 0.000 0.977 441 R CA -0.729 55.387 56.100 0.028 0.000 0.906 441 R CB 1.936 32.172 30.300 -0.107 0.000 1.197 441 R HN 0.768 nan 8.270 nan 0.000 0.463 442 E N 1.638 121.942 120.200 0.174 0.000 2.264 442 E HA 0.574 4.924 4.350 0.000 0.000 0.260 442 E C -0.138 176.602 176.600 0.234 0.000 0.961 442 E CA -0.934 55.590 56.400 0.208 0.000 0.834 442 E CB 1.700 31.517 29.700 0.196 0.000 1.230 442 E HN 0.324 nan 8.360 nan 0.000 0.412 443 L N 0.177 121.539 121.223 0.231 0.000 0.596 443 L HA -0.349 3.992 4.340 0.000 0.000 0.356 443 L C 0.740 177.770 176.870 0.266 0.000 0.994 443 L CA 0.669 55.662 54.840 0.255 0.000 1.223 443 L CB -1.351 40.790 42.059 0.138 0.000 0.044 443 L HN 0.930 nan 8.230 nan 0.000 0.093 444 S N -0.163 115.609 115.700 0.121 0.000 3.144 444 S HA -0.323 4.147 4.470 0.000 0.000 0.629 444 S C 1.068 175.738 174.600 0.116 0.000 2.962 444 S CA 2.068 60.324 58.200 0.093 0.000 3.700 444 S CB -0.498 62.752 63.200 0.084 0.000 0.286 444 S HN 1.477 nan 8.310 nan 0.000 1.464 445 H N -0.094 118.881 119.070 -0.159 0.000 2.547 445 H HA 0.320 4.876 4.556 0.000 0.000 0.272 445 H C 1.696 176.718 175.328 -0.510 0.000 0.989 445 H CA 1.417 57.203 56.048 -0.437 0.000 1.214 445 H CB -0.560 28.848 29.762 -0.589 0.000 1.389 445 H HN 0.366 nan 8.280 nan 0.000 0.577 446 F N 1.483 121.278 119.950 -0.257 0.000 2.084 446 F HA 0.072 4.599 4.527 0.000 0.000 0.296 446 F C 2.810 178.613 175.800 0.005 0.000 1.111 446 F CA 1.316 59.262 58.000 -0.090 0.000 1.224 446 F CB -0.830 38.100 39.000 -0.117 0.000 0.991 446 F HN 0.392 nan 8.300 nan 0.000 0.471 447 G N -0.113 108.825 108.800 0.230 0.000 2.432 447 G HA2 -0.208 3.752 3.960 0.000 0.000 0.219 447 G HA3 -0.208 3.752 3.960 0.000 0.000 0.219 447 G C 1.620 176.612 174.900 0.153 0.000 1.135 447 G CA 0.746 45.964 45.100 0.196 0.000 0.767 447 G HN 0.280 nan 8.290 nan 0.000 0.550 448 L N -0.267 121.006 121.223 0.083 0.000 2.072 448 L HA 0.131 4.472 4.340 0.000 0.000 0.205 448 L C 2.465 179.402 176.870 0.113 0.000 1.079 448 L CA 1.740 56.602 54.840 0.037 0.000 0.752 448 L CB -0.445 41.594 42.059 -0.034 0.000 0.906 448 L HN 0.402 nan 8.230 nan 0.000 0.436 449 H N -1.695 117.424 119.070 0.082 0.000 2.544 449 H HA 0.039 4.596 4.556 0.000 0.000 0.269 449 H C 1.665 177.033 175.328 0.066 0.000 0.970 449 H CA 0.234 56.332 56.048 0.083 0.000 1.219 449 H CB 0.449 30.251 29.762 0.066 0.000 1.421 449 H HN 0.320 nan 8.280 nan 0.000 0.555 450 E N 0.742 120.989 120.200 0.079 0.000 2.118 450 E HA -0.150 4.200 4.350 0.000 0.000 0.195 450 E C 0.162 176.463 176.600 -0.497 0.000 0.992 450 E CA 1.074 57.319 56.400 -0.259 0.000 0.804 450 E CB 0.023 29.427 29.700 -0.495 0.000 0.741 450 E HN 0.480 nan 8.360 nan 0.000 0.458 451 F N -0.398 119.652 119.950 0.167 0.000 2.850 451 F HA 0.185 4.712 4.527 0.000 0.000 0.306 451 F C 0.214 176.109 175.800 0.159 0.000 1.162 451 F CA -0.571 57.511 58.000 0.137 0.000 1.327 451 F CB 0.283 39.348 39.000 0.109 0.000 0.953 451 F HN -0.192 nan 8.300 nan 0.000 0.507 452 C N 0.623 120.082 119.300 0.266 0.000 2.366 452 C HA 0.369 4.829 4.460 0.000 0.000 0.345 452 C C 0.694 175.796 174.990 0.186 0.000 1.209 452 C CA -0.982 58.195 59.018 0.266 0.000 2.050 452 C CB 0.837 28.794 27.740 0.361 0.000 2.359 452 C HN 0.436 nan 8.230 nan 0.000 0.527 453 N N 1.705 120.501 118.700 0.159 0.000 2.415 453 N HA 0.158 4.898 4.740 0.000 0.000 0.250 453 N C -0.657 174.876 175.510 0.038 0.000 1.127 453 N CA -0.000 53.107 53.050 0.094 0.000 0.945 453 N CB 0.495 39.040 38.487 0.095 0.000 1.196 453 N HN 0.423 nan 8.380 nan 0.000 0.499 454 V N 4.313 124.220 119.914 -0.011 0.000 2.415 454 V HA 0.097 4.218 4.120 0.000 0.000 0.267 454 V C 0.444 176.458 176.094 -0.134 0.000 1.042 454 V CA -0.045 62.159 62.300 -0.160 0.000 1.000 454 V CB 0.192 31.925 31.823 -0.150 0.000 1.015 454 V HN 0.645 nan 8.190 nan 0.000 0.478 455 Q N 3.569 123.269 119.800 -0.166 0.000 2.325 455 Q HA 0.347 4.687 4.340 0.000 0.000 0.270 455 Q C -0.544 175.398 176.000 -0.096 0.000 1.020 455 Q CA -0.533 55.218 55.803 -0.086 0.000 0.785 455 Q CB 1.695 30.408 28.738 -0.042 0.000 1.259 455 Q HN 0.715 nan 8.270 nan 0.000 0.452 456 T N 2.761 117.286 114.554 -0.048 0.000 2.851 456 T HA 0.261 4.611 4.350 0.000 0.000 0.298 456 T C -0.465 174.255 174.700 0.032 0.000 0.977 456 T CA -0.140 61.951 62.100 -0.015 0.000 1.126 456 T CB 0.632 69.528 68.868 0.048 0.000 0.916 456 T HN 0.346 nan 8.240 nan 0.000 0.529 457 V N 5.002 124.931 119.914 0.025 0.000 2.407 457 V HA 0.433 4.553 4.120 0.000 0.000 0.291 457 V C -0.924 175.249 176.094 0.132 0.000 1.018 457 V CA -0.981 61.359 62.300 0.068 0.000 0.842 457 V CB 1.443 33.281 31.823 0.025 0.000 0.996 457 V HN 0.823 nan 8.190 nan 0.000 0.426 458 W N 7.190 128.474 121.300 -0.026 0.000 2.647 458 W HA 0.549 5.209 4.660 0.000 0.000 0.328 458 W C -0.467 176.042 176.519 -0.017 0.000 1.018 458 W CA -1.545 55.787 57.345 -0.023 0.000 1.245 458 W CB 2.010 31.456 29.460 -0.023 0.000 1.356 458 W HN 0.660 nan 8.180 nan 0.000 0.443 459 K N 3.339 123.980 120.400 0.403 0.000 2.110 459 K HA 0.453 4.773 4.320 0.000 0.000 0.263 459 K C 0.178 176.923 176.600 0.242 0.000 0.975 459 K CA -0.563 55.861 56.287 0.228 0.000 0.895 459 K CB 1.055 33.630 32.500 0.125 0.000 1.060 459 K HN 0.541 nan 8.250 nan 0.000 0.448 460 N N 0.413 119.171 118.700 0.097 0.000 2.740 460 N HA -0.219 4.522 4.740 0.000 0.000 0.248 460 N C -0.928 174.604 175.510 0.036 0.000 1.062 460 N CA 0.441 53.525 53.050 0.056 0.000 0.704 460 N CB -0.941 37.591 38.487 0.075 0.000 0.968 460 N HN 0.601 nan 8.380 nan 0.000 0.547 461 R N 1.368 121.791 120.500 -0.129 0.000 2.351 461 R HA 0.298 4.639 4.340 0.000 0.000 0.321 461 R C 0.008 176.185 176.300 -0.204 0.000 1.182 461 R CA -0.224 55.682 56.100 -0.322 0.000 1.011 461 R CB 0.094 29.773 30.300 -1.036 0.000 1.048 461 R HN 0.221 nan 8.270 nan 0.000 0.490 462 V N 0.000 119.861 119.914 -0.089 0.000 2.409 462 V HA 0.000 4.120 4.120 0.000 0.000 0.244 462 V CA 0.000 62.261 62.300 -0.066 0.000 1.235 462 V CB 0.000 31.801 31.823 -0.037 0.000 1.184 462 V HN 0.000 nan 8.190 nan 0.000 0.556