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 1jbq_1_D DATA FIRST_RESID 43 DATA SEQUENCE WIRPDAPSRC TWQLGRPASE SPHHHTAPAK SPKILPDILK KIGDTPMVRI DATA SEQUENCE NKIGKKFGLK CELLAKCEFF NAGGSVKDRI SLRMIEDAER DGTLKPGDTI DATA SEQUENCE IEPTSGNTGI GLALAAAVRG YRCIIVMPEK MSSEKVDVLR ALGAEIVRTP DATA SEQUENCE TXXXXXXXES HVGVAWRLKN EIPNSHILDQ YRNASNPLAH YDTTADEILQ DATA SEQUENCE QCDGKLDMLV ASVGTGGTIT GIARKLKEKC PGCRIIGVDP EGSILAEPEE DATA SEQUENCE LNQTEQTTYE VEGIGYDFIP TVLDRTVVDK WFKSNDEEAF TFARMLIAQE DATA SEQUENCE GLLCGGSAGS TVAVAVKAAQ ELQEGQRCVV ILPDSVRNYM TKFLSDRWML DATA SEQUENCE QKGFL 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 43 W HA 0.000 nan 4.660 nan 0.000 0.303 43 W C 0.000 176.156 176.519 -0.606 0.000 1.175 43 W CA 0.000 56.527 57.345 -1.364 0.000 1.226 43 W CB 0.000 28.857 29.460 -1.005 0.000 1.126 44 I N 7.533 127.642 120.570 -0.768 0.000 2.495 44 I HA 0.262 4.432 4.170 -0.000 0.000 0.277 44 I C 0.516 176.049 176.117 -0.972 0.000 1.045 44 I CA -1.229 59.712 61.300 -0.598 0.000 1.135 44 I CB 0.931 38.750 38.000 -0.301 0.000 1.241 44 I HN 0.445 nan 8.210 nan 0.000 0.469 45 R N 5.099 124.679 120.500 -1.533 0.000 2.627 45 R HA -0.168 4.172 4.340 -0.000 0.000 0.251 45 R C -2.161 173.613 176.300 -0.877 0.000 0.897 45 R CA -0.376 54.709 56.100 -1.692 0.000 1.053 45 R CB -0.549 29.096 30.300 -1.093 0.000 0.878 45 R HN 0.272 nan 8.270 nan 0.000 0.420 46 P HA -0.114 nan 4.420 nan 0.000 0.236 46 P C -0.448 176.763 177.300 -0.148 0.000 1.172 46 P CA 1.669 64.621 63.100 -0.247 0.000 0.759 46 P CB 0.039 31.654 31.700 -0.143 0.000 0.843 47 D N -3.013 117.239 120.400 -0.246 0.000 2.479 47 D HA 0.234 4.874 4.640 -0.000 0.000 0.218 47 D C 0.233 176.472 176.300 -0.102 0.000 1.177 47 D CA -0.521 53.413 54.000 -0.110 0.000 0.830 47 D CB -0.330 40.424 40.800 -0.077 0.000 1.014 47 D HN -0.118 nan 8.370 nan 0.000 0.503 48 A N 2.684 125.411 122.820 -0.154 0.000 2.580 48 A HA 0.167 4.487 4.320 -0.000 0.000 0.244 48 A C -1.534 176.022 177.584 -0.047 0.000 1.045 48 A CA -0.775 51.194 52.037 -0.113 0.000 0.761 48 A CB -0.101 18.824 19.000 -0.124 0.000 0.962 48 A HN 0.221 nan 8.150 nan 0.000 0.512 49 P HA -0.020 nan 4.420 nan 0.000 0.240 49 P C 0.256 177.563 177.300 0.013 0.000 1.594 49 P CA 0.549 63.651 63.100 0.004 0.000 1.184 49 P CB -0.674 31.029 31.700 0.005 0.000 1.915 50 S N 2.381 118.092 115.700 0.017 0.000 3.658 50 S HA -0.208 4.262 4.470 -0.000 0.000 0.437 50 S C 1.019 175.640 174.600 0.035 0.000 1.120 50 S CA 0.531 58.748 58.200 0.028 0.000 0.854 50 S CB 0.090 63.314 63.200 0.040 0.000 0.724 50 S HN 0.446 nan 8.310 nan 0.000 0.438 51 R N 2.223 122.747 120.500 0.039 0.000 2.472 51 R HA 0.254 4.594 4.340 -0.000 0.000 0.279 51 R C 0.550 176.888 176.300 0.064 0.000 0.953 51 R CA 0.052 56.178 56.100 0.043 0.000 1.088 51 R CB -0.052 30.265 30.300 0.029 0.000 1.197 51 R HN 0.629 nan 8.270 nan 0.000 0.536 52 C N 1.692 121.044 119.300 0.086 0.000 2.634 52 C HA 0.025 4.485 4.460 -0.000 0.000 0.417 52 C C 1.949 177.022 174.990 0.139 0.000 1.334 52 C CA 0.614 59.710 59.018 0.130 0.000 1.829 52 C CB 0.190 28.016 27.740 0.144 0.000 2.665 52 C HN 0.718 nan 8.230 nan 0.000 0.614 53 T N 1.948 116.587 114.554 0.141 0.000 3.145 53 T HA 0.087 4.437 4.350 -0.000 0.000 0.255 53 T C 0.131 174.916 174.700 0.142 0.000 1.039 53 T CA -0.410 61.758 62.100 0.112 0.000 0.928 53 T CB -0.224 68.677 68.868 0.055 0.000 1.029 53 T HN 0.845 nan 8.240 nan 0.000 0.554 54 W N 2.823 124.136 121.300 0.023 0.000 2.209 54 W HA 0.320 4.980 4.660 0.000 0.000 0.344 54 W C -0.382 176.143 176.519 0.010 0.000 1.285 54 W CA 0.297 57.650 57.345 0.013 0.000 1.267 54 W CB 0.365 29.822 29.460 -0.006 0.000 1.167 54 W HN 0.230 nan 8.180 nan 0.000 0.574 55 Q N 5.578 124.771 119.800 -1.012 0.000 2.295 55 Q HA 0.194 4.534 4.340 -0.000 0.000 0.268 55 Q C -1.228 173.879 176.000 -1.490 0.000 1.010 55 Q CA -1.390 53.802 55.803 -1.019 0.000 0.856 55 Q CB 2.059 30.545 28.738 -0.421 0.000 1.349 55 Q HN 0.538 nan 8.270 nan 0.000 0.412 56 L N 1.528 121.916 121.223 -1.391 0.000 2.525 56 L HA 0.245 4.585 4.340 -0.000 0.000 0.278 56 L C 1.104 177.742 176.870 -0.387 0.000 1.218 56 L CA 2.612 57.026 54.840 -0.710 0.000 0.878 56 L CB 0.031 41.972 42.059 -0.197 0.000 1.127 56 L HN 0.958 nan 8.230 nan 0.000 0.492 57 G N 3.280 111.941 108.800 -0.230 0.000 2.213 57 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.236 57 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.236 57 G C 0.605 175.418 174.900 -0.145 0.000 0.991 57 G CA 0.257 45.272 45.100 -0.140 0.000 0.629 57 G HN 0.805 nan 8.290 nan 0.000 0.517 58 R N 1.549 121.911 120.500 -0.230 0.000 2.308 58 R HA 0.510 4.850 4.340 -0.000 0.000 0.305 58 R C -2.059 174.190 176.300 -0.084 0.000 1.053 58 R CA -1.500 54.496 56.100 -0.173 0.000 0.957 58 R CB 0.507 30.655 30.300 -0.253 0.000 1.022 58 R HN 0.088 nan 8.270 nan 0.000 0.461 59 P HA -0.052 nan 4.420 nan 0.000 0.266 59 P C -0.362 176.964 177.300 0.042 0.000 1.193 59 P CA 0.208 63.312 63.100 0.006 0.000 0.770 59 P CB 0.830 32.531 31.700 0.003 0.000 0.836 60 A N 2.272 125.131 122.820 0.064 0.000 2.066 60 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 60 A C 2.040 179.674 177.584 0.083 0.000 1.157 60 A CA 1.575 53.666 52.037 0.090 0.000 0.670 60 A CB -1.366 17.674 19.000 0.066 0.000 0.804 60 A HN 0.602 nan 8.150 nan 0.000 0.453 61 S N 0.094 115.830 115.700 0.060 0.000 2.469 61 S HA -0.156 4.314 4.470 -0.000 0.000 0.238 61 S C 1.230 175.867 174.600 0.062 0.000 0.998 61 S CA 1.354 59.589 58.200 0.058 0.000 0.957 61 S CB -0.369 62.853 63.200 0.037 0.000 0.764 61 S HN 0.698 nan 8.310 nan 0.000 0.514 62 E N 1.391 121.626 120.200 0.059 0.000 2.489 62 E HA 0.159 4.509 4.350 -0.000 0.000 0.193 62 E C 0.314 176.957 176.600 0.071 0.000 1.057 62 E CA -0.177 56.252 56.400 0.048 0.000 0.866 62 E CB 0.265 29.980 29.700 0.024 0.000 0.916 62 E HN 0.478 nan 8.360 nan 0.000 0.500 63 S N 1.927 117.705 115.700 0.129 0.000 2.549 63 S HA 0.108 4.578 4.470 -0.000 0.000 0.279 63 S C -1.514 173.132 174.600 0.078 0.000 1.321 63 S CA -1.268 57.040 58.200 0.179 0.000 1.054 63 S CB 0.814 64.262 63.200 0.414 0.000 0.899 63 S HN 0.003 nan 8.310 nan 0.000 0.497 64 P HA 0.215 nan 4.420 nan 0.000 0.268 64 P C -0.453 176.714 177.300 -0.221 0.000 1.329 64 P CA -0.076 62.923 63.100 -0.169 0.000 0.899 64 P CB 0.078 31.630 31.700 -0.247 0.000 1.378 65 H N 0.056 119.141 119.070 0.024 0.000 2.488 65 H HA 0.195 4.751 4.556 -0.000 0.000 0.347 65 H C 0.032 175.248 175.328 -0.187 0.000 1.174 65 H CA -0.216 55.751 56.048 -0.135 0.000 1.307 65 H CB 0.847 30.423 29.762 -0.310 0.000 1.517 65 H HN 0.164 nan 8.280 nan 0.000 0.554 66 H N 2.879 121.870 119.070 -0.133 0.000 2.723 66 H HA 0.112 4.668 4.556 -0.000 0.000 0.294 66 H C -0.598 174.588 175.328 -0.238 0.000 1.079 66 H CA -0.408 55.573 56.048 -0.111 0.000 1.411 66 H CB 0.154 29.885 29.762 -0.051 0.000 1.439 66 H HN 0.529 nan 8.280 nan 0.000 0.474 67 H N 3.760 122.707 119.070 -0.205 0.000 2.472 67 H HA 0.219 4.775 4.556 -0.000 0.000 0.338 67 H C -0.178 174.955 175.328 -0.325 0.000 1.133 67 H CA -0.465 55.473 56.048 -0.184 0.000 1.216 67 H CB 2.097 31.871 29.762 0.020 0.000 1.497 67 H HN 0.587 nan 8.280 nan 0.000 0.500 68 T N 1.327 115.820 114.554 -0.101 0.000 2.912 68 T HA 0.597 4.947 4.350 -0.000 0.000 0.288 68 T C -0.158 174.517 174.700 -0.041 0.000 1.030 68 T CA -0.622 61.412 62.100 -0.110 0.000 1.020 68 T CB 1.652 70.448 68.868 -0.120 0.000 1.056 68 T HN 0.703 nan 8.240 nan 0.000 0.480 69 A N 3.051 125.847 122.820 -0.040 0.000 2.312 69 A HA 0.818 5.138 4.320 -0.000 0.000 0.328 69 A C -2.479 175.082 177.584 -0.039 0.000 1.158 69 A CA -1.693 50.321 52.037 -0.039 0.000 0.821 69 A CB -0.063 18.920 19.000 -0.029 0.000 1.170 69 A HN 0.574 nan 8.150 nan 0.000 0.490 70 P HA 0.382 nan 4.420 nan 0.000 0.269 70 P C -0.580 176.700 177.300 -0.032 0.000 1.217 70 P CA 0.241 63.316 63.100 -0.041 0.000 0.783 70 P CB 0.657 32.329 31.700 -0.047 0.000 0.898 71 A N 1.248 124.050 122.820 -0.029 0.000 2.393 71 A HA 0.506 4.826 4.320 -0.000 0.000 0.306 71 A C -0.633 176.935 177.584 -0.026 0.000 1.050 71 A CA -0.694 51.328 52.037 -0.024 0.000 0.724 71 A CB 1.169 20.158 19.000 -0.018 0.000 1.248 71 A HN 0.399 nan 8.150 nan 0.000 0.424 72 K N 0.800 121.186 120.400 -0.025 0.000 2.098 72 K HA 0.439 4.759 4.320 -0.000 0.000 0.261 72 K C 0.368 176.954 176.600 -0.024 0.000 0.987 72 K CA -0.303 55.968 56.287 -0.027 0.000 0.916 72 K CB 1.526 34.010 32.500 -0.028 0.000 1.039 72 K HN 0.723 nan 8.250 nan 0.000 0.455 73 S N 3.395 119.079 115.700 -0.027 0.000 2.525 73 S HA 0.108 4.578 4.470 -0.000 0.000 0.285 73 S C -1.626 172.963 174.600 -0.019 0.000 1.283 73 S CA -1.225 56.962 58.200 -0.023 0.000 1.072 73 S CB 0.058 63.242 63.200 -0.027 0.000 0.867 73 S HN 0.363 nan 8.310 nan 0.000 0.492 74 P HA 0.284 nan 4.420 nan 0.000 0.279 74 P C 0.609 177.903 177.300 -0.011 0.000 1.276 74 P CA -0.695 62.398 63.100 -0.012 0.000 0.801 74 P CB 0.735 32.429 31.700 -0.009 0.000 1.127 75 K N -0.345 120.049 120.400 -0.010 0.000 1.977 75 K HA -0.040 4.280 4.320 -0.000 0.000 0.218 75 K C 0.743 177.339 176.600 -0.007 0.000 1.051 75 K CA 1.331 57.613 56.287 -0.009 0.000 0.953 75 K CB -0.294 32.201 32.500 -0.008 0.000 0.727 75 K HN 0.418 nan 8.250 nan 0.000 0.445 76 I N 2.258 122.825 120.570 -0.006 0.000 2.354 76 I HA 0.097 4.267 4.170 -0.000 0.000 0.292 76 I C -0.933 175.182 176.117 -0.004 0.000 0.989 76 I CA -0.909 60.389 61.300 -0.004 0.000 1.188 76 I CB 1.446 39.444 38.000 -0.004 0.000 1.342 76 I HN 0.029 nan 8.210 nan 0.000 0.457 77 L N 9.433 130.654 121.223 -0.003 0.000 2.281 77 L HA 0.281 4.621 4.340 -0.000 0.000 0.285 77 L C -0.927 175.942 176.870 -0.002 0.000 1.074 77 L CA -1.087 53.752 54.840 -0.002 0.000 0.817 77 L CB -0.005 42.054 42.059 -0.000 0.000 1.168 77 L HN 0.442 nan 8.230 nan 0.000 0.434 78 P HA -0.092 nan 4.420 nan 0.000 0.220 78 P C -0.513 176.785 177.300 -0.004 0.000 1.148 78 P CA 0.940 64.038 63.100 -0.004 0.000 0.803 78 P CB 0.153 31.850 31.700 -0.004 0.000 0.782 79 D N -3.400 116.999 120.400 -0.002 0.000 2.710 79 D HA 0.079 4.719 4.640 -0.000 0.000 0.276 79 D C 0.309 176.611 176.300 0.003 0.000 1.267 79 D CA -0.795 53.204 54.000 -0.001 0.000 0.772 79 D CB -0.078 40.719 40.800 -0.004 0.000 1.299 79 D HN -0.279 nan 8.370 nan 0.000 0.421 80 I N 0.442 121.016 120.570 0.005 0.000 2.493 80 I HA -0.002 4.168 4.170 -0.000 0.000 0.254 80 I C 1.623 177.747 176.117 0.012 0.000 1.160 80 I CA 1.005 62.311 61.300 0.010 0.000 1.445 80 I CB -0.325 37.682 38.000 0.012 0.000 1.086 80 I HN 0.563 nan 8.210 nan 0.000 0.433 81 L N -0.389 120.840 121.223 0.010 0.000 2.261 81 L HA -0.203 4.137 4.340 -0.000 0.000 0.216 81 L C 1.997 178.871 176.870 0.007 0.000 1.114 81 L CA 0.835 55.682 54.840 0.011 0.000 0.777 81 L CB -0.711 41.356 42.059 0.013 0.000 0.910 81 L HN 0.068 nan 8.230 nan 0.000 0.440 82 K N 0.310 120.713 120.400 0.005 0.000 2.504 82 K HA -0.097 4.223 4.320 -0.000 0.000 0.195 82 K C 1.144 177.745 176.600 0.002 0.000 1.036 82 K CA 0.653 56.941 56.287 0.001 0.000 0.984 82 K CB -0.114 32.386 32.500 -0.000 0.000 0.788 82 K HN -0.119 nan 8.250 nan 0.000 0.488 83 K N 0.939 121.344 120.400 0.008 0.000 2.965 83 K HA 0.300 4.620 4.320 -0.000 0.000 0.216 83 K C -1.046 175.565 176.600 0.019 0.000 1.164 83 K CA -0.055 56.240 56.287 0.013 0.000 1.153 83 K CB -0.288 32.225 32.500 0.023 0.000 1.045 83 K HN -0.048 nan 8.250 nan 0.000 0.460 84 I N 0.354 120.930 120.570 0.010 0.000 2.466 84 I HA 0.550 4.720 4.170 -0.000 0.000 0.289 84 I C 0.260 176.377 176.117 -0.001 0.000 1.026 84 I CA -0.508 60.798 61.300 0.010 0.000 1.078 84 I CB 1.901 39.904 38.000 0.005 0.000 1.249 84 I HN 0.414 nan 8.210 nan 0.000 0.429 85 G N 4.257 113.058 108.800 0.000 0.000 2.655 85 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.680 85 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.680 85 G C -0.111 174.776 174.900 -0.021 0.000 1.302 85 G CA -0.119 44.974 45.100 -0.011 0.000 0.872 85 G HN 0.980 nan 8.290 nan 0.000 0.540 86 D N -1.090 119.291 120.400 -0.031 0.000 2.723 86 D HA -0.103 4.537 4.640 -0.000 0.000 0.236 86 D C 0.921 177.181 176.300 -0.067 0.000 1.138 86 D CA 2.877 56.849 54.000 -0.047 0.000 0.676 86 D CB -1.292 39.481 40.800 -0.044 0.000 1.069 86 D HN 1.635 nan 8.370 nan 0.000 0.430 87 T N -1.694 112.823 114.554 -0.061 0.000 2.899 87 T HA 0.559 4.909 4.350 -0.000 0.000 0.295 87 T C -2.137 172.479 174.700 -0.140 0.000 1.033 87 T CA -1.365 60.679 62.100 -0.093 0.000 1.084 87 T CB 1.723 70.561 68.868 -0.049 0.000 0.979 87 T HN 0.056 nan 8.240 nan 0.000 0.532 88 P HA 0.250 nan 4.420 nan 0.000 0.275 88 P C -0.911 176.299 177.300 -0.149 0.000 1.227 88 P CA -0.629 62.325 63.100 -0.244 0.000 0.781 88 P CB 0.597 32.034 31.700 -0.438 0.000 0.906 89 M N 4.372 123.909 119.600 -0.104 0.000 2.061 89 M HA 0.275 4.755 4.480 -0.000 0.000 0.346 89 M C -1.391 174.882 176.300 -0.044 0.000 1.112 89 M CA -0.489 54.776 55.300 -0.059 0.000 1.021 89 M CB 0.373 32.944 32.600 -0.049 0.000 1.530 89 M HN 0.032 nan 8.290 nan 0.000 0.437 90 V N 5.242 125.149 119.914 -0.011 0.000 2.555 90 V HA 0.566 4.686 4.120 -0.000 0.000 0.302 90 V C -0.047 176.064 176.094 0.028 0.000 1.038 90 V CA -0.968 61.340 62.300 0.014 0.000 0.887 90 V CB 1.775 33.631 31.823 0.056 0.000 0.991 90 V HN 0.765 nan 8.190 nan 0.000 0.434 91 R N 3.874 124.388 120.500 0.023 0.000 2.340 91 R HA 0.370 4.710 4.340 -0.000 0.000 0.300 91 R C -0.831 175.493 176.300 0.039 0.000 1.069 91 R CA -0.595 55.519 56.100 0.024 0.000 0.984 91 R CB 0.580 30.890 30.300 0.016 0.000 1.003 91 R HN 0.548 nan 8.270 nan 0.000 0.459 92 I N 5.075 125.669 120.570 0.040 0.000 2.371 92 I HA 0.027 4.197 4.170 -0.000 0.000 0.290 92 I C 0.766 176.909 176.117 0.045 0.000 1.028 92 I CA 0.063 61.393 61.300 0.050 0.000 1.345 92 I CB 1.096 39.125 38.000 0.049 0.000 1.407 92 I HN 0.701 nan 8.210 nan 0.000 0.501 93 N N 4.796 123.524 118.700 0.047 0.000 2.407 93 N HA 0.073 4.813 4.740 -0.000 0.000 0.182 93 N C 1.101 176.637 175.510 0.045 0.000 1.079 93 N CA 0.388 53.462 53.050 0.041 0.000 0.882 93 N CB 1.040 39.547 38.487 0.034 0.000 1.106 93 N HN 0.549 nan 8.380 nan 0.000 0.461 94 K N 0.804 121.236 120.400 0.052 0.000 2.214 94 K HA 0.306 4.626 4.320 -0.000 0.000 0.210 94 K C 1.994 178.648 176.600 0.089 0.000 1.036 94 K CA -0.001 56.318 56.287 0.054 0.000 0.958 94 K CB 0.259 32.784 32.500 0.040 0.000 0.973 94 K HN -0.120 nan 8.250 nan 0.000 0.466 95 I N 1.798 122.435 120.570 0.112 0.000 2.113 95 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 95 I C 2.468 178.758 176.117 0.288 0.000 1.057 95 I CA 1.839 63.261 61.300 0.204 0.000 1.314 95 I CB -0.788 37.305 38.000 0.156 0.000 1.022 95 I HN 0.399 nan 8.210 nan 0.000 0.408 96 G N 0.745 109.645 108.800 0.166 0.000 2.446 96 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 96 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 96 G C 1.707 176.708 174.900 0.168 0.000 1.168 96 G CA 0.585 45.772 45.100 0.146 0.000 0.771 96 G HN 0.206 nan 8.290 nan 0.000 0.551 97 K N 0.715 121.185 120.400 0.118 0.000 2.057 97 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 97 K C 2.243 178.889 176.600 0.077 0.000 1.049 97 K CA 1.134 57.469 56.287 0.081 0.000 0.931 97 K CB -0.406 32.123 32.500 0.049 0.000 0.714 97 K HN 0.435 nan 8.250 nan 0.000 0.440 98 K N -0.005 120.447 120.400 0.086 0.000 2.360 98 K HA -0.092 4.228 4.320 -0.000 0.000 0.201 98 K C 0.660 177.157 176.600 -0.172 0.000 1.046 98 K CA 0.942 57.206 56.287 -0.039 0.000 0.945 98 K CB 0.032 32.497 32.500 -0.058 0.000 0.750 98 K HN -0.006 nan 8.250 nan 0.000 0.464 99 F N -0.530 119.434 119.950 0.023 0.000 2.654 99 F HA 0.291 4.818 4.527 -0.000 0.000 0.303 99 F C 1.212 177.026 175.800 0.023 0.000 1.099 99 F CA 0.252 58.271 58.000 0.033 0.000 1.270 99 F CB 1.365 40.401 39.000 0.060 0.000 1.024 99 F HN 0.192 nan 8.300 nan 0.000 0.548 100 G N 0.509 109.389 108.800 0.132 0.000 2.179 100 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 100 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 100 G C 0.103 175.052 174.900 0.082 0.000 0.977 100 G CA -0.386 44.766 45.100 0.086 0.000 0.641 100 G HN 0.131 nan 8.290 nan 0.000 0.533 101 L N 0.713 121.997 121.223 0.102 0.000 2.559 101 L HA 0.312 4.652 4.340 -0.000 0.000 0.274 101 L C 1.645 178.542 176.870 0.044 0.000 1.205 101 L CA 1.111 55.989 54.840 0.064 0.000 0.907 101 L CB 0.735 42.830 42.059 0.060 0.000 1.153 101 L HN 0.297 nan 8.230 nan 0.000 0.490 102 K N 2.704 123.122 120.400 0.029 0.000 2.352 102 K HA 0.100 4.420 4.320 -0.000 0.000 0.194 102 K C 0.746 177.355 176.600 0.015 0.000 1.038 102 K CA 0.210 56.510 56.287 0.022 0.000 1.023 102 K CB 0.058 32.569 32.500 0.019 0.000 0.840 102 K HN 0.803 nan 8.250 nan 0.000 0.519 103 C N 0.864 120.170 119.300 0.011 0.000 2.480 103 C HA 0.335 4.795 4.460 -0.000 0.000 0.344 103 C C 0.497 175.490 174.990 0.005 0.000 1.380 103 C CA -1.087 57.933 59.018 0.004 0.000 2.386 103 C CB 0.492 28.230 27.740 -0.004 0.000 2.210 103 C HN 0.372 nan 8.230 nan 0.000 0.640 104 E N 0.232 120.432 120.200 -0.000 0.000 2.200 104 E HA 0.441 4.791 4.350 -0.000 0.000 0.283 104 E C -1.318 175.280 176.600 -0.004 0.000 1.015 104 E CA -0.440 55.961 56.400 0.001 0.000 0.819 104 E CB 0.749 30.448 29.700 -0.001 0.000 1.081 104 E HN 0.726 nan 8.360 nan 0.000 0.397 105 L N 6.941 128.165 121.223 0.001 0.000 2.265 105 L HA 0.395 4.735 4.340 -0.000 0.000 0.289 105 L C -0.983 175.887 176.870 0.000 0.000 1.033 105 L CA -0.621 54.215 54.840 -0.006 0.000 0.814 105 L CB 0.618 42.677 42.059 0.000 0.000 1.203 105 L HN 0.625 nan 8.230 nan 0.000 0.423 106 L N 3.981 125.199 121.223 -0.008 0.000 2.334 106 L HA 0.718 5.058 4.340 -0.000 0.000 0.273 106 L C -0.098 176.774 176.870 0.003 0.000 1.013 106 L CA -0.623 54.217 54.840 -0.001 0.000 0.816 106 L CB 1.957 44.010 42.059 -0.011 0.000 1.278 106 L HN 0.598 nan 8.230 nan 0.000 0.431 107 A N 2.073 124.907 122.820 0.022 0.000 2.304 107 A HA 0.521 4.841 4.320 -0.000 0.000 0.314 107 A C -0.675 176.929 177.584 0.034 0.000 1.187 107 A CA -0.645 51.417 52.037 0.043 0.000 0.810 107 A CB 1.097 20.155 19.000 0.097 0.000 1.183 107 A HN 0.483 nan 8.150 nan 0.000 0.487 108 K N 2.248 122.660 120.400 0.020 0.000 2.250 108 K HA 0.221 4.541 4.320 -0.000 0.000 0.285 108 K C -0.883 175.727 176.600 0.017 0.000 1.097 108 K CA -0.111 56.176 56.287 -0.001 0.000 0.913 108 K CB 0.047 32.541 32.500 -0.011 0.000 1.179 108 K HN 0.729 nan 8.250 nan 0.000 0.462 109 C N 3.864 123.144 119.300 -0.033 0.000 2.218 109 C HA 0.158 4.618 4.460 -0.000 0.000 0.353 109 C C 1.625 176.472 174.990 -0.239 0.000 1.070 109 C CA -0.678 58.228 59.018 -0.187 0.000 1.497 109 C CB -0.984 26.533 27.740 -0.372 0.000 1.951 109 C HN 0.693 nan 8.230 nan 0.000 0.493 110 E N 1.169 121.336 120.200 -0.055 0.000 2.482 110 E HA -0.008 4.342 4.350 -0.000 0.000 0.196 110 E C 1.312 177.928 176.600 0.026 0.000 1.047 110 E CA 0.482 56.888 56.400 0.010 0.000 0.869 110 E CB -0.145 29.601 29.700 0.076 0.000 0.836 110 E HN 0.849 nan 8.360 nan 0.000 0.520 111 F N -2.584 117.400 119.950 0.057 0.000 2.771 111 F HA 0.149 4.676 4.527 0.000 0.000 0.299 111 F C 0.905 176.606 175.800 -0.165 0.000 1.177 111 F CA 0.030 57.991 58.000 -0.065 0.000 1.450 111 F CB -0.548 38.373 39.000 -0.131 0.000 1.114 111 F HN -0.089 nan 8.300 nan 0.000 0.587 112 F N 0.302 120.109 119.950 -0.237 0.000 2.727 112 F HA 0.174 4.701 4.527 0.000 0.000 0.302 112 F C 1.002 176.769 175.800 -0.055 0.000 1.097 112 F CA -0.458 57.457 58.000 -0.142 0.000 1.330 112 F CB -0.409 38.448 39.000 -0.239 0.000 1.084 112 F HN -0.125 nan 8.300 nan 0.000 0.578 113 N N 0.692 119.454 118.700 0.103 0.000 2.416 113 N HA 0.048 4.788 4.740 -0.000 0.000 0.246 113 N C 1.424 176.973 175.510 0.065 0.000 1.260 113 N CA 0.684 53.778 53.050 0.073 0.000 0.897 113 N CB 0.868 39.388 38.487 0.056 0.000 1.110 113 N HN 0.145 nan 8.380 nan 0.000 0.439 114 A N 2.066 124.917 122.820 0.051 0.000 1.954 114 A HA -0.204 4.116 4.320 -0.000 0.000 0.222 114 A C 1.802 179.407 177.584 0.036 0.000 1.199 114 A CA 2.397 54.459 52.037 0.042 0.000 0.657 114 A CB -0.998 18.021 19.000 0.031 0.000 0.823 114 A HN 0.737 nan 8.150 nan 0.000 0.463 115 G N -3.146 105.675 108.800 0.034 0.000 3.042 115 G HA2 0.396 4.356 3.960 -0.000 0.000 0.212 115 G HA3 0.396 4.356 3.960 -0.000 0.000 0.212 115 G C 1.138 176.056 174.900 0.030 0.000 1.166 115 G CA 0.722 45.838 45.100 0.027 0.000 0.767 115 G HN 1.759 nan 8.290 nan 0.000 0.546 116 G N -0.644 108.183 108.800 0.046 0.000 2.157 116 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.239 116 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.239 116 G C 0.324 175.283 174.900 0.098 0.000 0.982 116 G CA 0.722 45.859 45.100 0.063 0.000 0.650 116 G HN 1.668 nan 8.290 nan 0.000 0.527 117 S N -2.227 113.524 115.700 0.085 0.000 2.618 117 S HA 0.669 5.139 4.470 -0.000 0.000 0.277 117 S C 0.714 175.369 174.600 0.091 0.000 1.138 117 S CA 0.300 58.561 58.200 0.102 0.000 0.844 117 S CB 1.763 65.014 63.200 0.085 0.000 1.127 117 S HN 1.393 nan 8.310 nan 0.000 0.474 118 V N 1.436 121.412 119.914 0.103 0.000 2.913 118 V HA -0.018 4.102 4.120 -0.000 0.000 0.260 118 V C 1.709 177.869 176.094 0.111 0.000 1.098 118 V CA 1.500 63.868 62.300 0.113 0.000 1.121 118 V CB -0.890 31.000 31.823 0.112 0.000 0.714 118 V HN 0.814 nan 8.190 nan 0.000 0.487 119 K N 0.183 120.630 120.400 0.079 0.000 2.365 119 K HA -0.074 4.246 4.320 -0.000 0.000 0.199 119 K C 1.603 178.217 176.600 0.023 0.000 1.045 119 K CA 1.137 57.453 56.287 0.049 0.000 0.962 119 K CB -0.452 32.070 32.500 0.037 0.000 0.759 119 K HN 0.538 nan 8.250 nan 0.000 0.469 120 D N 0.696 121.113 120.400 0.029 0.000 2.218 120 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 120 D C 1.943 178.238 176.300 -0.008 0.000 0.976 120 D CA 0.811 54.820 54.000 0.014 0.000 0.853 120 D CB 0.024 40.839 40.800 0.025 0.000 0.939 120 D HN 0.192 nan 8.370 nan 0.000 0.481 121 R N 0.409 120.899 120.500 -0.017 0.000 2.061 121 R HA -0.032 4.308 4.340 -0.000 0.000 0.230 121 R C 2.661 178.893 176.300 -0.113 0.000 1.140 121 R CA 1.191 57.248 56.100 -0.073 0.000 0.940 121 R CB -0.520 29.709 30.300 -0.118 0.000 0.839 121 R HN 0.307 nan 8.270 nan 0.000 0.429 122 I N -1.043 119.451 120.570 -0.127 0.000 2.454 122 I HA -0.156 4.014 4.170 -0.000 0.000 0.254 122 I C 1.723 177.792 176.117 -0.079 0.000 1.156 122 I CA 1.450 62.675 61.300 -0.125 0.000 1.433 122 I CB -0.175 37.766 38.000 -0.098 0.000 1.082 122 I HN -0.059 nan 8.210 nan 0.000 0.432 123 S N 1.657 117.326 115.700 -0.052 0.000 2.345 123 S HA -0.102 4.368 4.470 -0.000 0.000 0.220 123 S C 1.885 176.463 174.600 -0.038 0.000 1.031 123 S CA 1.595 59.772 58.200 -0.039 0.000 0.996 123 S CB -0.613 62.577 63.200 -0.017 0.000 0.882 123 S HN 0.517 nan 8.310 nan 0.000 0.445 124 L N 2.145 123.351 121.223 -0.029 0.000 2.012 124 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 124 L C 2.260 179.111 176.870 -0.031 0.000 1.073 124 L CA 1.825 56.655 54.840 -0.018 0.000 0.748 124 L CB -0.596 41.454 42.059 -0.014 0.000 0.891 124 L HN 0.077 nan 8.230 nan 0.000 0.431 125 R N -0.737 119.730 120.500 -0.055 0.000 2.092 125 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 125 R C 2.147 178.411 176.300 -0.060 0.000 1.119 125 R CA 1.919 57.982 56.100 -0.061 0.000 0.970 125 R CB -0.444 29.799 30.300 -0.096 0.000 0.864 125 R HN 0.454 nan 8.270 nan 0.000 0.440 126 M N -0.788 118.770 119.600 -0.070 0.000 2.254 126 M HA -0.051 4.429 4.480 -0.000 0.000 0.265 126 M C 1.954 178.201 176.300 -0.089 0.000 1.066 126 M CA 1.349 56.603 55.300 -0.076 0.000 1.123 126 M CB -0.095 32.458 32.600 -0.078 0.000 1.388 126 M HN 0.140 nan 8.290 nan 0.000 0.425 127 I N -0.168 120.351 120.570 -0.085 0.000 2.233 127 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 127 I C 2.142 178.217 176.117 -0.070 0.000 1.093 127 I CA 1.355 62.589 61.300 -0.111 0.000 1.380 127 I CB -0.327 37.635 38.000 -0.064 0.000 1.067 127 I HN 0.309 nan 8.210 nan 0.000 0.413 128 E N 0.700 120.884 120.200 -0.026 0.000 2.077 128 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 128 E C 1.665 178.263 176.600 -0.004 0.000 0.989 128 E CA 1.386 57.786 56.400 0.001 0.000 0.800 128 E CB -0.006 29.702 29.700 0.013 0.000 0.746 128 E HN 0.406 nan 8.360 nan 0.000 0.452 129 D N -0.046 120.346 120.400 -0.014 0.000 2.178 129 D HA -0.093 4.547 4.640 -0.000 0.000 0.202 129 D C 1.716 177.991 176.300 -0.042 0.000 0.974 129 D CA 1.086 55.084 54.000 -0.003 0.000 0.841 129 D CB -0.122 40.674 40.800 -0.006 0.000 0.953 129 D HN 0.160 nan 8.370 nan 0.000 0.478 130 A N 0.540 123.311 122.820 -0.083 0.000 2.014 130 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 130 A C 2.000 179.509 177.584 -0.126 0.000 1.163 130 A CA 1.003 52.961 52.037 -0.132 0.000 0.652 130 A CB -0.231 18.639 19.000 -0.217 0.000 0.808 130 A HN 0.168 nan 8.150 nan 0.000 0.449 131 E N -0.671 119.478 120.200 -0.084 0.000 2.051 131 E HA -0.103 4.247 4.350 -0.000 0.000 0.189 131 E C 2.273 178.853 176.600 -0.032 0.000 0.979 131 E CA 0.682 57.059 56.400 -0.039 0.000 0.803 131 E CB -0.160 29.551 29.700 0.018 0.000 0.761 131 E HN 0.521 nan 8.360 nan 0.000 0.451 132 R N 1.020 121.500 120.500 -0.034 0.000 2.105 132 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 132 R C 1.649 177.908 176.300 -0.067 0.000 1.135 132 R CA 1.453 57.521 56.100 -0.053 0.000 0.967 132 R CB -0.035 30.223 30.300 -0.070 0.000 0.861 132 R HN 0.080 nan 8.270 nan 0.000 0.442 133 D N -1.207 119.156 120.400 -0.062 0.000 2.218 133 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 133 D C 1.182 177.454 176.300 -0.046 0.000 0.976 133 D CA 1.618 55.584 54.000 -0.057 0.000 0.853 133 D CB 0.076 40.842 40.800 -0.057 0.000 0.939 133 D HN 0.560 nan 8.370 nan 0.000 0.481 134 G N -1.271 107.502 108.800 -0.045 0.000 2.213 134 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.236 134 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.236 134 G C 1.379 176.260 174.900 -0.031 0.000 0.991 134 G CA 0.913 45.995 45.100 -0.028 0.000 0.629 134 G HN 0.365 nan 8.290 nan 0.000 0.517 135 T N 0.037 114.552 114.554 -0.065 0.000 2.668 135 T HA 0.080 4.430 4.350 -0.000 0.000 0.262 135 T C 1.022 175.591 174.700 -0.219 0.000 1.045 135 T CA 1.396 63.438 62.100 -0.096 0.000 1.152 135 T CB -0.019 68.766 68.868 -0.139 0.000 0.864 135 T HN 0.419 nan 8.240 nan 0.000 0.419 136 L N 2.957 123.992 121.223 -0.313 0.000 2.295 136 L HA 0.307 4.647 4.340 -0.000 0.000 0.288 136 L C -0.297 176.529 176.870 -0.072 0.000 1.079 136 L CA -0.179 54.433 54.840 -0.381 0.000 0.830 136 L CB 0.002 41.778 42.059 -0.473 0.000 1.200 136 L HN -0.009 nan 8.230 nan 0.000 0.438 137 K N 5.892 126.319 120.400 0.044 0.000 2.098 137 K HA 0.469 4.789 4.320 -0.000 0.000 0.261 137 K C -2.367 174.379 176.600 0.243 0.000 0.987 137 K CA -1.788 54.575 56.287 0.127 0.000 0.916 137 K CB 0.404 32.969 32.500 0.108 0.000 1.039 137 K HN 0.369 nan 8.250 nan 0.000 0.455 138 P HA -0.101 nan 4.420 nan 0.000 0.264 138 P C 0.539 177.895 177.300 0.094 0.000 1.183 138 P CA 1.126 64.274 63.100 0.079 0.000 0.763 138 P CB 0.408 32.110 31.700 0.003 0.000 0.807 139 G N 1.625 110.452 108.800 0.045 0.000 2.184 139 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.264 139 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.264 139 G C 0.213 175.228 174.900 0.192 0.000 0.975 139 G CA -0.062 45.087 45.100 0.083 0.000 0.642 139 G HN 0.477 nan 8.290 nan 0.000 0.536 140 D N 0.497 121.092 120.400 0.325 0.000 2.363 140 D HA 0.520 5.160 4.640 -0.000 0.000 0.240 140 D C 0.777 177.214 176.300 0.229 0.000 1.236 140 D CA 0.712 54.864 54.000 0.253 0.000 0.927 140 D CB 0.539 41.496 40.800 0.260 0.000 1.150 140 D HN 0.089 nan 8.370 nan 0.000 0.458 141 T N 0.724 115.359 114.554 0.134 0.000 2.824 141 T HA 0.552 4.902 4.350 -0.000 0.000 0.280 141 T C 0.150 174.875 174.700 0.042 0.000 0.995 141 T CA -0.503 61.643 62.100 0.076 0.000 1.009 141 T CB 0.596 69.477 68.868 0.022 0.000 0.955 141 T HN 0.120 nan 8.240 nan 0.000 0.452 142 I N 3.781 124.357 120.570 0.010 0.000 2.355 142 I HA 0.443 4.613 4.170 -0.000 0.000 0.288 142 I C -0.425 175.668 176.117 -0.039 0.000 0.999 142 I CA -0.659 60.622 61.300 -0.033 0.000 1.163 142 I CB 1.209 39.165 38.000 -0.074 0.000 1.316 142 I HN 0.428 nan 8.210 nan 0.000 0.454 143 I N 5.754 126.280 120.570 -0.073 0.000 2.354 143 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 143 I C -0.354 175.702 176.117 -0.102 0.000 0.989 143 I CA -0.419 60.828 61.300 -0.089 0.000 1.188 143 I CB 1.772 39.691 38.000 -0.135 0.000 1.342 143 I HN 0.506 nan 8.210 nan 0.000 0.457 144 E N 8.957 129.121 120.200 -0.060 0.000 2.260 144 E HA 0.418 4.768 4.350 -0.000 0.000 0.266 144 E C -2.669 173.922 176.600 -0.015 0.000 0.887 144 E CA -2.128 54.247 56.400 -0.042 0.000 0.777 144 E CB 2.250 31.941 29.700 -0.015 0.000 1.205 144 E HN 0.128 nan 8.360 nan 0.000 0.414 145 P HA 0.241 nan 4.420 nan 0.000 0.262 145 P C -0.983 176.313 177.300 -0.006 0.000 1.620 145 P CA -0.264 62.795 63.100 -0.069 0.000 1.089 145 P CB 0.676 32.294 31.700 -0.136 0.000 1.601 146 T N 0.978 115.586 114.554 0.089 0.000 3.401 146 T HA 0.180 4.530 4.350 -0.000 0.000 0.405 146 T C 0.501 175.298 174.700 0.162 0.000 1.688 146 T CA -0.262 61.945 62.100 0.179 0.000 1.143 146 T CB 0.259 69.225 68.868 0.163 0.000 1.526 146 T HN 0.141 nan 8.240 nan 0.000 0.472 147 S N 1.761 117.574 115.700 0.190 0.000 2.557 147 S HA 0.427 4.897 4.470 -0.000 0.000 0.223 147 S C 1.197 175.865 174.600 0.113 0.000 0.969 147 S CA 0.161 58.443 58.200 0.137 0.000 0.927 147 S CB 0.373 63.656 63.200 0.139 0.000 0.806 147 S HN 0.943 nan 8.310 nan 0.000 0.489 148 G N 2.018 110.895 108.800 0.129 0.000 2.504 148 G HA2 0.226 4.186 3.960 -0.000 0.000 0.257 148 G HA3 0.226 4.186 3.960 -0.000 0.000 0.257 148 G C 0.638 175.580 174.900 0.069 0.000 1.451 148 G CA -0.541 44.626 45.100 0.110 0.000 1.059 148 G HN 0.285 nan 8.290 nan 0.000 0.550 149 N N -0.645 118.094 118.700 0.065 0.000 2.396 149 N HA -0.078 4.662 4.740 -0.000 0.000 0.180 149 N C 2.245 177.775 175.510 0.034 0.000 1.028 149 N CA 1.126 54.203 53.050 0.045 0.000 0.893 149 N CB -0.155 38.367 38.487 0.057 0.000 0.967 149 N HN 0.352 nan 8.380 nan 0.000 0.440 150 T N -0.106 114.467 114.554 0.031 0.000 2.915 150 T HA -0.032 4.318 4.350 -0.000 0.000 0.269 150 T C 1.884 176.594 174.700 0.017 0.000 1.071 150 T CA 1.153 63.260 62.100 0.011 0.000 1.132 150 T CB -0.321 68.539 68.868 -0.013 0.000 0.878 150 T HN 0.348 nan 8.240 nan 0.000 0.479 151 G N 1.400 110.219 108.800 0.032 0.000 2.404 151 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.215 151 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.215 151 G C 1.493 176.407 174.900 0.024 0.000 1.174 151 G CA 0.398 45.517 45.100 0.032 0.000 0.780 151 G HN 0.482 nan 8.290 nan 0.000 0.537 152 I N 1.279 121.862 120.570 0.022 0.000 2.226 152 I HA -0.069 4.101 4.170 -0.000 0.000 0.245 152 I C 3.097 179.224 176.117 0.017 0.000 1.100 152 I CA 0.967 62.276 61.300 0.015 0.000 1.374 152 I CB -0.509 37.496 38.000 0.008 0.000 1.057 152 I HN 0.242 nan 8.210 nan 0.000 0.413 153 G N 1.250 110.060 108.800 0.017 0.000 2.446 153 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 153 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 153 G C 1.713 176.622 174.900 0.015 0.000 1.168 153 G CA 0.654 45.764 45.100 0.015 0.000 0.771 153 G HN 0.262 nan 8.290 nan 0.000 0.551 154 L N 0.696 121.925 121.223 0.011 0.000 2.046 154 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 154 L C 3.432 180.320 176.870 0.029 0.000 1.077 154 L CA 0.986 55.833 54.840 0.011 0.000 0.747 154 L CB -0.442 41.615 42.059 -0.003 0.000 0.896 154 L HN 0.303 nan 8.230 nan 0.000 0.432 155 A N 0.197 123.033 122.820 0.026 0.000 1.883 155 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 155 A C 2.208 179.813 177.584 0.034 0.000 1.186 155 A CA 1.975 54.031 52.037 0.031 0.000 0.624 155 A CB -0.811 18.203 19.000 0.023 0.000 0.822 155 A HN 0.327 nan 8.150 nan 0.000 0.444 156 L N -0.043 121.196 121.223 0.028 0.000 1.970 156 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 156 L C 2.618 179.508 176.870 0.034 0.000 1.071 156 L CA 2.654 57.509 54.840 0.026 0.000 0.751 156 L CB -1.159 40.912 42.059 0.021 0.000 0.889 156 L HN 0.340 nan 8.230 nan 0.000 0.432 157 A N -0.600 122.245 122.820 0.042 0.000 1.972 157 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 157 A C 2.425 180.070 177.584 0.103 0.000 1.169 157 A CA 1.829 53.903 52.037 0.060 0.000 0.635 157 A CB -1.136 17.899 19.000 0.058 0.000 0.810 157 A HN 0.666 nan 8.150 nan 0.000 0.446 158 A N -0.054 122.835 122.820 0.114 0.000 1.873 158 A HA 0.187 4.507 4.320 -0.000 0.000 0.215 158 A C 2.499 180.133 177.584 0.082 0.000 1.186 158 A CA 1.943 54.084 52.037 0.174 0.000 0.616 158 A CB -1.029 18.056 19.000 0.142 0.000 0.823 158 A HN 1.064 nan 8.150 nan 0.000 0.442 159 A N -0.636 122.211 122.820 0.045 0.000 1.972 159 A HA 0.048 4.368 4.320 -0.000 0.000 0.219 159 A C 2.176 179.754 177.584 -0.010 0.000 1.169 159 A CA 1.771 53.816 52.037 0.013 0.000 0.635 159 A CB -0.704 18.304 19.000 0.013 0.000 0.810 159 A HN 0.380 nan 8.150 nan 0.000 0.446 160 V N 0.090 120.002 119.914 -0.003 0.000 2.346 160 V HA -0.137 3.983 4.120 -0.000 0.000 0.244 160 V C 2.405 178.465 176.094 -0.058 0.000 1.037 160 V CA 1.665 63.954 62.300 -0.019 0.000 1.029 160 V CB -0.691 31.131 31.823 -0.002 0.000 0.663 160 V HN 0.466 nan 8.190 nan 0.000 0.454 161 R N 0.496 120.949 120.500 -0.078 0.000 2.275 161 R HA 0.183 4.523 4.340 -0.000 0.000 0.199 161 R C 1.549 177.593 176.300 -0.427 0.000 0.989 161 R CA 0.839 56.810 56.100 -0.214 0.000 1.016 161 R CB -0.439 29.761 30.300 -0.167 0.000 0.918 161 R HN 0.627 nan 8.270 nan 0.000 0.473 162 G N 0.884 109.501 108.800 -0.305 0.000 2.165 162 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.226 162 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.226 162 G C -0.491 174.204 174.900 -0.342 0.000 1.035 162 G CA -0.287 44.639 45.100 -0.289 0.000 0.744 162 G HN 0.339 nan 8.290 nan 0.000 0.501 163 Y N -0.661 119.640 120.300 0.000 0.000 2.420 163 Y HA 0.638 5.188 4.550 -0.000 0.000 0.334 163 Y C 0.942 176.846 175.900 0.005 0.000 1.094 163 Y CA -1.147 56.956 58.100 0.005 0.000 1.126 163 Y CB 1.156 39.617 38.460 0.003 0.000 1.217 163 Y HN 0.206 nan 8.280 nan 0.000 0.462 164 R N 1.670 122.284 120.500 0.190 0.000 2.441 164 R HA 0.481 4.821 4.340 -0.000 0.000 0.284 164 R C -1.428 174.926 176.300 0.091 0.000 1.070 164 R CA -0.200 55.961 56.100 0.101 0.000 1.047 164 R CB 0.720 31.062 30.300 0.071 0.000 1.016 164 R HN 0.799 nan 8.270 nan 0.000 0.477 165 C N 6.487 125.822 119.300 0.059 0.000 2.396 165 C HA 0.601 5.061 4.460 -0.000 0.000 0.321 165 C C -0.737 174.266 174.990 0.023 0.000 1.233 165 C CA -0.634 58.408 59.018 0.040 0.000 1.440 165 C CB 0.239 28.006 27.740 0.044 0.000 2.110 165 C HN 0.835 nan 8.230 nan 0.000 0.473 166 I N 6.966 127.541 120.570 0.009 0.000 2.439 166 I HA 0.398 4.568 4.170 -0.000 0.000 0.283 166 I C -0.739 175.380 176.117 0.004 0.000 1.023 166 I CA -0.316 60.988 61.300 0.006 0.000 1.100 166 I CB 1.340 39.337 38.000 -0.004 0.000 1.238 166 I HN 0.423 nan 8.210 nan 0.000 0.445 167 I N 7.010 127.590 120.570 0.018 0.000 2.428 167 I HA 0.350 4.520 4.170 -0.000 0.000 0.296 167 I C -0.172 175.970 176.117 0.043 0.000 0.985 167 I CA -0.521 60.796 61.300 0.029 0.000 1.260 167 I CB 1.845 39.868 38.000 0.039 0.000 1.389 167 I HN 0.139 nan 8.210 nan 0.000 0.484 168 V N 7.288 127.234 119.914 0.054 0.000 2.407 168 V HA 0.608 4.728 4.120 -0.000 0.000 0.291 168 V C -0.077 176.121 176.094 0.173 0.000 1.018 168 V CA -0.561 61.791 62.300 0.087 0.000 0.842 168 V CB 1.125 32.984 31.823 0.060 0.000 0.996 168 V HN 0.777 nan 8.190 nan 0.000 0.426 169 M N 4.642 124.361 119.600 0.198 0.000 2.631 169 M HA 0.792 5.272 4.480 -0.000 0.000 0.288 169 M C -3.011 173.380 176.300 0.152 0.000 1.260 169 M CA -2.105 53.354 55.300 0.265 0.000 0.842 169 M CB 2.216 34.917 32.600 0.169 0.000 1.743 169 M HN 0.181 nan 8.290 nan 0.000 0.461 170 P HA -0.051 nan 4.420 nan 0.000 0.282 170 P C -0.249 177.061 177.300 0.015 0.000 1.273 170 P CA 0.202 63.283 63.100 -0.031 0.000 0.809 170 P CB 0.200 31.849 31.700 -0.086 0.000 1.246 171 E N -1.168 119.035 120.200 0.004 0.000 2.474 171 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 171 E C 0.389 177.002 176.600 0.021 0.000 1.039 171 E CA 0.246 56.656 56.400 0.015 0.000 0.881 171 E CB -0.010 29.696 29.700 0.009 0.000 0.970 171 E HN 0.131 nan 8.360 nan 0.000 0.486 172 K N 0.228 120.642 120.400 0.024 0.000 3.215 172 K HA 0.314 4.634 4.320 -0.000 0.000 0.171 172 K C -0.010 176.617 176.600 0.045 0.000 1.127 172 K CA -0.265 56.043 56.287 0.035 0.000 1.421 172 K CB -0.078 32.446 32.500 0.040 0.000 1.962 172 K HN -0.089 nan 8.250 nan 0.000 0.478 173 M N 0.823 120.457 119.600 0.057 0.000 4.047 173 M HA -0.160 4.320 4.480 -0.000 0.000 0.157 173 M C -0.853 175.476 176.300 0.048 0.000 1.532 173 M CA 0.101 55.438 55.300 0.061 0.000 1.097 173 M CB -1.488 31.148 32.600 0.060 0.000 1.346 173 M HN 0.442 nan 8.290 nan 0.000 0.190 174 S N 2.902 118.629 115.700 0.045 0.000 2.558 174 S HA 0.123 4.593 4.470 -0.000 0.000 0.287 174 S C 1.275 175.875 174.600 -0.001 0.000 1.321 174 S CA -0.016 58.195 58.200 0.019 0.000 1.048 174 S CB 0.633 63.827 63.200 -0.009 0.000 0.844 174 S HN 0.722 nan 8.310 nan 0.000 0.512 175 S N 1.555 117.249 115.700 -0.010 0.000 2.406 175 S HA -0.076 4.394 4.470 -0.000 0.000 0.228 175 S C 1.785 176.364 174.600 -0.035 0.000 1.020 175 S CA 0.706 58.897 58.200 -0.015 0.000 0.965 175 S CB -0.274 62.919 63.200 -0.012 0.000 0.798 175 S HN 0.668 nan 8.310 nan 0.000 0.488 176 E N 1.689 121.852 120.200 -0.061 0.000 2.097 176 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 176 E C 1.954 178.505 176.600 -0.080 0.000 1.000 176 E CA 1.366 57.712 56.400 -0.090 0.000 0.804 176 E CB -0.081 29.529 29.700 -0.150 0.000 0.740 176 E HN 0.450 nan 8.360 nan 0.000 0.454 177 K N -0.642 119.717 120.400 -0.068 0.000 2.098 177 K HA 0.037 4.357 4.320 -0.000 0.000 0.203 177 K C 2.106 178.695 176.600 -0.017 0.000 1.051 177 K CA 0.798 57.057 56.287 -0.046 0.000 0.957 177 K CB 0.050 32.530 32.500 -0.033 0.000 0.738 177 K HN -0.037 nan 8.250 nan 0.000 0.447 178 V N 2.373 122.282 119.914 -0.008 0.000 2.358 178 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 178 V C 1.644 177.737 176.094 -0.002 0.000 1.047 178 V CA 1.853 64.155 62.300 0.004 0.000 1.035 178 V CB -0.346 31.483 31.823 0.010 0.000 0.658 178 V HN 0.299 nan 8.190 nan 0.000 0.452 179 D N -0.206 120.188 120.400 -0.010 0.000 2.178 179 D HA -0.099 4.541 4.640 -0.000 0.000 0.202 179 D C 2.146 178.439 176.300 -0.012 0.000 0.974 179 D CA 1.067 55.061 54.000 -0.010 0.000 0.841 179 D CB 0.089 40.880 40.800 -0.015 0.000 0.953 179 D HN 0.334 nan 8.370 nan 0.000 0.478 180 V N 1.230 121.133 119.914 -0.018 0.000 2.379 180 V HA -0.176 3.943 4.120 -0.000 0.000 0.245 180 V C 2.644 178.735 176.094 -0.006 0.000 1.044 180 V CA 0.912 63.202 62.300 -0.016 0.000 1.036 180 V CB -0.299 31.508 31.823 -0.027 0.000 0.664 180 V HN 0.171 nan 8.190 nan 0.000 0.453 181 L N -0.448 120.774 121.223 -0.001 0.000 2.017 181 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 181 L C 2.793 179.668 176.870 0.009 0.000 1.073 181 L CA 1.759 56.603 54.840 0.008 0.000 0.745 181 L CB -0.542 41.526 42.059 0.014 0.000 0.894 181 L HN 0.241 nan 8.230 nan 0.000 0.432 182 R N -0.271 120.233 120.500 0.007 0.000 2.120 182 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 182 R C 2.310 178.613 176.300 0.005 0.000 1.123 182 R CA 1.159 57.264 56.100 0.007 0.000 0.975 182 R CB -0.428 29.876 30.300 0.006 0.000 0.866 182 R HN 0.355 nan 8.270 nan 0.000 0.446 183 A N 1.050 123.871 122.820 0.002 0.000 1.968 183 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 183 A C 1.965 179.551 177.584 0.003 0.000 1.169 183 A CA 0.852 52.889 52.037 0.001 0.000 0.638 183 A CB -0.231 18.768 19.000 -0.003 0.000 0.812 183 A HN 0.176 nan 8.150 nan 0.000 0.446 184 L N -0.994 120.232 121.223 0.006 0.000 2.610 184 L HA 0.160 4.500 4.340 -0.000 0.000 0.232 184 L C 1.638 178.515 176.870 0.012 0.000 1.149 184 L CA 0.561 55.407 54.840 0.009 0.000 0.872 184 L CB -0.197 41.869 42.059 0.012 0.000 0.992 184 L HN 0.580 nan 8.230 nan 0.000 0.447 185 G N -0.138 108.669 108.800 0.011 0.000 2.141 185 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.242 185 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.242 185 G C 0.349 175.259 174.900 0.017 0.000 0.982 185 G CA -0.023 45.085 45.100 0.013 0.000 0.662 185 G HN 0.489 nan 8.290 nan 0.000 0.527 186 A N 0.171 123.002 122.820 0.018 0.000 2.409 186 A HA 0.608 4.928 4.320 -0.000 0.000 0.262 186 A C 0.463 178.059 177.584 0.019 0.000 1.113 186 A CA -0.011 52.039 52.037 0.021 0.000 0.790 186 A CB 0.322 19.335 19.000 0.022 0.000 1.046 186 A HN 0.491 nan 8.150 nan 0.000 0.496 187 E N 1.695 121.907 120.200 0.019 0.000 2.289 187 E HA 0.350 4.700 4.350 -0.000 0.000 0.278 187 E C -0.793 175.820 176.600 0.021 0.000 1.032 187 E CA 0.121 56.532 56.400 0.018 0.000 0.854 187 E CB 0.987 30.696 29.700 0.016 0.000 1.046 187 E HN 0.567 nan 8.360 nan 0.000 0.409 188 I N 2.733 123.317 120.570 0.022 0.000 2.412 188 I HA 0.270 4.440 4.170 -0.000 0.000 0.296 188 I C -0.493 175.642 176.117 0.031 0.000 0.987 188 I CA -0.998 60.319 61.300 0.029 0.000 1.180 188 I CB 1.678 39.696 38.000 0.030 0.000 1.340 188 I HN 0.187 nan 8.210 nan 0.000 0.455 189 V N 6.404 126.342 119.914 0.039 0.000 2.407 189 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 189 V C -0.118 176.009 176.094 0.055 0.000 1.018 189 V CA -0.795 61.530 62.300 0.041 0.000 0.842 189 V CB 1.653 33.500 31.823 0.039 0.000 0.996 189 V HN 0.604 nan 8.190 nan 0.000 0.426 190 R N 2.770 123.298 120.500 0.046 0.000 2.312 190 R HA 0.568 4.908 4.340 -0.000 0.000 0.311 190 R C 0.136 176.463 176.300 0.046 0.000 1.004 190 R CA -0.322 55.806 56.100 0.047 0.000 0.902 190 R CB 1.780 32.100 30.300 0.034 0.000 1.073 190 R HN 0.841 nan 8.270 nan 0.000 0.457 191 T N -0.429 114.156 114.554 0.051 0.000 2.895 191 T HA 0.392 4.742 4.350 -0.000 0.000 0.283 191 T C -1.527 173.183 174.700 0.017 0.000 1.014 191 T CA -1.776 60.350 62.100 0.043 0.000 1.037 191 T CB 2.164 71.076 68.868 0.072 0.000 1.006 191 T HN 0.215 nan 8.240 nan 0.000 0.468 192 P HA 0.023 nan 4.420 nan 0.000 0.199 192 P C 1.224 178.516 177.300 -0.013 0.000 1.118 192 P CA 2.076 65.176 63.100 -0.000 0.000 0.913 192 P CB -1.142 30.558 31.700 -0.001 0.000 0.738 202 S N -1.192 114.536 115.700 0.046 0.000 2.431 202 S HA 0.004 4.474 4.470 -0.000 0.000 0.210 202 S C 1.935 176.627 174.600 0.153 0.000 1.013 202 S CA 1.676 59.907 58.200 0.052 0.000 0.920 202 S CB -0.978 62.227 63.200 0.008 0.000 0.882 202 S HN 1.185 nan 8.310 nan 0.000 0.567 203 H N 0.498 119.583 119.070 0.025 0.000 2.462 203 H HA 0.227 4.783 4.556 -0.000 0.000 0.292 203 H C 1.814 177.196 175.328 0.091 0.000 1.049 203 H CA 0.830 56.912 56.048 0.056 0.000 1.334 203 H CB -0.339 29.468 29.762 0.074 0.000 1.404 203 H HN 0.260 nan 8.280 nan 0.000 0.544 204 V N 1.469 121.448 119.914 0.109 0.000 2.427 204 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 204 V C 2.822 179.001 176.094 0.141 0.000 1.051 204 V CA 1.694 64.034 62.300 0.067 0.000 1.048 204 V CB -0.797 31.081 31.823 0.091 0.000 0.666 204 V HN 0.749 nan 8.190 nan 0.000 0.456 205 G N 0.026 108.834 108.800 0.012 0.000 2.408 205 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 205 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 205 G C 1.618 176.574 174.900 0.094 0.000 1.150 205 G CA 1.184 46.278 45.100 -0.009 0.000 0.776 205 G HN 0.402 nan 8.290 nan 0.000 0.542 206 V N 1.464 121.430 119.914 0.087 0.000 2.515 206 V HA -0.066 4.054 4.120 -0.000 0.000 0.250 206 V C 3.249 179.389 176.094 0.077 0.000 1.058 206 V CA 1.711 64.058 62.300 0.077 0.000 1.064 206 V CB -0.734 31.133 31.823 0.073 0.000 0.675 206 V HN 0.473 nan 8.190 nan 0.000 0.461 207 A N -0.409 122.465 122.820 0.091 0.000 1.851 207 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 207 A C 2.116 179.694 177.584 -0.010 0.000 1.195 207 A CA 1.838 53.886 52.037 0.018 0.000 0.622 207 A CB -0.842 18.163 19.000 0.009 0.000 0.831 207 A HN 0.644 nan 8.150 nan 0.000 0.444 208 W N 0.154 121.466 121.300 0.020 0.000 2.392 208 W HA -0.095 4.565 4.660 -0.000 0.000 0.279 208 W C 2.559 179.087 176.519 0.015 0.000 1.225 208 W CA 1.581 58.947 57.345 0.035 0.000 1.233 208 W CB -0.252 29.249 29.460 0.068 0.000 1.122 208 W HN 0.471 nan 8.180 nan 0.000 0.561 209 R N 0.577 121.184 120.500 0.178 0.000 2.062 209 R HA -0.158 4.182 4.340 -0.000 0.000 0.231 209 R C 2.350 178.678 176.300 0.046 0.000 1.136 209 R CA 1.341 57.502 56.100 0.101 0.000 0.948 209 R CB -0.802 29.540 30.300 0.070 0.000 0.845 209 R HN 0.158 nan 8.270 nan 0.000 0.430 210 L N 1.159 122.392 121.223 0.016 0.000 2.079 210 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 210 L C 2.767 179.607 176.870 -0.050 0.000 1.081 210 L CA 1.555 56.385 54.840 -0.016 0.000 0.752 210 L CB -0.459 41.586 42.059 -0.024 0.000 0.896 210 L HN 0.264 nan 8.230 nan 0.000 0.433 211 K N 0.258 120.603 120.400 -0.092 0.000 2.103 211 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 211 K C 1.729 178.278 176.600 -0.085 0.000 1.048 211 K CA 1.522 57.722 56.287 -0.146 0.000 0.930 211 K CB 0.025 32.361 32.500 -0.274 0.000 0.716 211 K HN 0.364 nan 8.250 nan 0.000 0.444 212 N N 0.787 119.474 118.700 -0.022 0.000 2.409 212 N HA -0.079 4.661 4.740 -0.000 0.000 0.179 212 N C 0.850 176.357 175.510 -0.006 0.000 1.032 212 N CA 0.867 53.920 53.050 0.004 0.000 0.898 212 N CB 0.255 38.771 38.487 0.049 0.000 0.971 212 N HN 0.409 nan 8.380 nan 0.000 0.441 213 E N 0.128 120.322 120.200 -0.010 0.000 2.400 213 E HA 0.178 4.528 4.350 -0.000 0.000 0.195 213 E C 0.113 176.701 176.600 -0.020 0.000 1.012 213 E CA 0.256 56.651 56.400 -0.009 0.000 0.875 213 E CB 0.731 30.431 29.700 -0.001 0.000 0.859 213 E HN 0.272 nan 8.360 nan 0.000 0.498 214 I N 2.456 123.004 120.570 -0.037 0.000 2.382 214 I HA 0.260 4.430 4.170 -0.000 0.000 0.286 214 I C -2.491 173.589 176.117 -0.060 0.000 1.002 214 I CA -2.723 58.552 61.300 -0.042 0.000 1.135 214 I CB 1.482 39.456 38.000 -0.044 0.000 1.288 214 I HN -0.304 nan 8.210 nan 0.000 0.448 215 P HA 0.077 nan 4.420 nan 0.000 0.268 215 P C -0.309 176.951 177.300 -0.067 0.000 1.205 215 P CA 0.118 63.188 63.100 -0.050 0.000 0.771 215 P CB 0.275 31.961 31.700 -0.024 0.000 0.858 216 N N -1.107 117.533 118.700 -0.100 0.000 2.754 216 N HA -0.135 4.605 4.740 -0.000 0.000 0.248 216 N C -0.702 174.664 175.510 -0.240 0.000 1.093 216 N CA 0.932 53.912 53.050 -0.117 0.000 0.699 216 N CB -1.716 36.776 38.487 0.008 0.000 1.016 216 N HN 0.290 nan 8.380 nan 0.000 0.552 217 S N 0.130 115.609 115.700 -0.369 0.000 2.578 217 S HA 0.516 4.986 4.470 -0.000 0.000 0.283 217 S C -0.243 173.942 174.600 -0.693 0.000 1.195 217 S CA -0.440 57.542 58.200 -0.363 0.000 1.050 217 S CB 1.587 64.654 63.200 -0.221 0.000 1.012 217 S HN 0.220 nan 8.310 nan 0.000 0.511 218 H N 1.132 120.122 119.070 -0.133 0.000 2.954 218 H HA 0.385 4.941 4.556 -0.000 0.000 0.361 218 H C -1.141 174.065 175.328 -0.204 0.000 1.122 218 H CA -0.457 55.496 56.048 -0.157 0.000 1.217 218 H CB 1.154 30.828 29.762 -0.146 0.000 1.776 218 H HN 0.402 nan 8.280 nan 0.000 0.533 219 I N 4.100 124.576 120.570 -0.158 0.000 2.359 219 I HA 0.055 4.225 4.170 -0.000 0.000 0.284 219 I C 1.478 177.513 176.117 -0.135 0.000 1.018 219 I CA -0.244 60.901 61.300 -0.259 0.000 1.173 219 I CB 1.298 38.916 38.000 -0.638 0.000 1.326 219 I HN 0.443 nan 8.210 nan 0.000 0.462 220 L N 3.846 125.017 121.223 -0.086 0.000 1.989 220 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 220 L C 0.500 177.362 176.870 -0.014 0.000 1.071 220 L CA 1.050 55.858 54.840 -0.055 0.000 0.749 220 L CB -0.251 41.766 42.059 -0.070 0.000 0.890 220 L HN 0.735 nan 8.230 nan 0.000 0.431 221 D N -0.102 120.301 120.400 0.004 0.000 4.161 221 D HA -0.177 4.463 4.640 -0.000 0.000 0.246 221 D C 1.103 177.432 176.300 0.048 0.000 1.064 221 D CA 0.781 54.837 54.000 0.092 0.000 1.187 221 D CB -0.153 40.762 40.800 0.192 0.000 0.871 221 D HN 0.599 nan 8.370 nan 0.000 0.413 222 Q N 1.370 121.150 119.800 -0.033 0.000 2.291 222 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 222 Q C 1.252 177.112 176.000 -0.233 0.000 0.976 222 Q CA 1.189 56.890 55.803 -0.171 0.000 0.875 222 Q CB -0.283 28.280 28.738 -0.293 0.000 0.927 222 Q HN 0.702 nan 8.270 nan 0.000 0.450 223 Y N 0.677 120.982 120.300 0.007 0.000 2.457 223 Y HA 0.091 4.641 4.550 -0.000 0.000 0.292 223 Y C 1.946 177.838 175.900 -0.014 0.000 1.125 223 Y CA 0.786 58.874 58.100 -0.021 0.000 1.254 223 Y CB 0.366 38.820 38.460 -0.011 0.000 1.012 223 Y HN 0.061 nan 8.280 nan 0.000 0.555 224 R N -1.451 119.120 120.500 0.118 0.000 2.435 224 R HA 0.083 4.423 4.340 -0.000 0.000 0.221 224 R C 0.135 176.450 176.300 0.026 0.000 0.885 224 R CA -0.128 56.010 56.100 0.063 0.000 1.018 224 R CB 0.177 30.513 30.300 0.060 0.000 1.259 224 R HN -0.014 nan 8.270 nan 0.000 0.597 225 N N 1.868 120.576 118.700 0.014 0.000 2.427 225 N HA 0.021 4.761 4.740 -0.000 0.000 0.269 225 N C 0.749 176.229 175.510 -0.049 0.000 1.235 225 N CA 0.149 53.191 53.050 -0.014 0.000 0.934 225 N CB 1.470 39.943 38.487 -0.023 0.000 1.121 225 N HN 0.162 nan 8.380 nan 0.000 0.480 226 A N 3.310 126.093 122.820 -0.062 0.000 2.032 226 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 226 A C 2.167 179.660 177.584 -0.151 0.000 1.165 226 A CA 1.666 53.625 52.037 -0.130 0.000 0.645 226 A CB -0.364 18.528 19.000 -0.180 0.000 0.807 226 A HN 0.714 nan 8.150 nan 0.000 0.453 227 S N 0.272 115.906 115.700 -0.111 0.000 2.419 227 S HA -0.202 4.268 4.470 -0.000 0.000 0.235 227 S C 1.970 176.498 174.600 -0.120 0.000 1.019 227 S CA 1.248 59.383 58.200 -0.109 0.000 0.982 227 S CB -0.457 62.693 63.200 -0.083 0.000 0.789 227 S HN 0.810 nan 8.310 nan 0.000 0.490 228 N N 2.246 120.883 118.700 -0.105 0.000 2.048 228 N HA -0.047 4.693 4.740 -0.000 0.000 0.193 228 N C -0.964 174.507 175.510 -0.064 0.000 1.061 228 N CA 1.603 54.596 53.050 -0.094 0.000 0.849 228 N CB -1.235 37.211 38.487 -0.070 0.000 1.044 228 N HN 0.201 nan 8.380 nan 0.000 0.429 229 P HA -0.106 nan 4.420 nan 0.000 0.219 229 P C 1.776 179.064 177.300 -0.021 0.000 1.146 229 P CA 1.020 64.121 63.100 0.003 0.000 0.808 229 P CB -0.039 31.615 31.700 -0.077 0.000 0.779 230 L N -0.462 120.706 121.223 -0.093 0.000 2.093 230 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 230 L C 2.851 179.715 176.870 -0.010 0.000 1.085 230 L CA 1.442 56.253 54.840 -0.049 0.000 0.755 230 L CB -1.177 40.796 42.059 -0.144 0.000 0.904 230 L HN -0.046 nan 8.230 nan 0.000 0.435 231 A N -0.439 122.302 122.820 -0.132 0.000 1.892 231 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 231 A C 2.101 179.567 177.584 -0.197 0.000 1.188 231 A CA 1.794 53.702 52.037 -0.215 0.000 0.631 231 A CB -0.841 17.931 19.000 -0.379 0.000 0.822 231 A HN 0.450 nan 8.150 nan 0.000 0.447 232 H N -3.001 116.070 119.070 0.003 0.000 2.457 232 H HA -0.097 4.459 4.556 -0.000 0.000 0.294 232 H C 1.880 177.227 175.328 0.032 0.000 1.064 232 H CA 1.685 57.733 56.048 0.001 0.000 1.330 232 H CB -0.409 29.343 29.762 -0.017 0.000 1.395 232 H HN 0.748 nan 8.280 nan 0.000 0.541 233 Y N 1.751 122.061 120.300 0.018 0.000 2.337 233 Y HA -0.084 4.466 4.550 -0.000 0.000 0.293 233 Y C 1.505 177.394 175.900 -0.018 0.000 1.123 233 Y CA 0.990 59.077 58.100 -0.022 0.000 1.201 233 Y CB 0.280 38.709 38.460 -0.051 0.000 1.011 233 Y HN -0.019 nan 8.280 nan 0.000 0.545 234 D N -1.143 119.288 120.400 0.053 0.000 2.162 234 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 234 D C 2.062 178.318 176.300 -0.073 0.000 0.964 234 D CA 1.974 55.955 54.000 -0.032 0.000 0.847 234 D CB -0.124 40.707 40.800 0.053 0.000 0.988 234 D HN 0.523 nan 8.370 nan 0.000 0.480 235 T N -2.738 111.786 114.554 -0.049 0.000 3.205 235 T HA 0.008 4.358 4.350 -0.000 0.000 0.238 235 T C 2.013 176.696 174.700 -0.028 0.000 0.974 235 T CA 0.939 63.011 62.100 -0.047 0.000 1.246 235 T CB -0.627 68.213 68.868 -0.047 0.000 1.007 235 T HN -0.124 nan 8.240 nan 0.000 0.414 236 T N 2.942 117.507 114.554 0.018 0.000 2.635 236 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 236 T C 2.397 177.101 174.700 0.006 0.000 1.040 236 T CA 1.781 63.913 62.100 0.053 0.000 1.156 236 T CB -1.060 67.926 68.868 0.198 0.000 0.863 236 T HN 0.593 nan 8.240 nan 0.000 0.430 237 A N 1.926 124.743 122.820 -0.005 0.000 1.877 237 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 237 A C 2.198 179.737 177.584 -0.075 0.000 1.186 237 A CA 1.894 53.903 52.037 -0.047 0.000 0.620 237 A CB -0.811 18.146 19.000 -0.070 0.000 0.822 237 A HN 0.361 nan 8.150 nan 0.000 0.443 238 D N -0.400 119.940 120.400 -0.099 0.000 2.117 238 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 238 D C 2.027 178.285 176.300 -0.069 0.000 0.987 238 D CA 1.432 55.371 54.000 -0.101 0.000 0.829 238 D CB -0.324 40.407 40.800 -0.116 0.000 0.961 238 D HN 0.653 nan 8.370 nan 0.000 0.460 239 E N 0.203 120.371 120.200 -0.055 0.000 2.051 239 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 239 E C 2.403 178.975 176.600 -0.045 0.000 0.991 239 E CA 0.517 56.889 56.400 -0.047 0.000 0.799 239 E CB -0.056 29.620 29.700 -0.039 0.000 0.748 239 E HN 0.313 nan 8.360 nan 0.000 0.449 240 I N 1.141 121.686 120.570 -0.042 0.000 2.118 240 I HA -0.343 3.827 4.170 -0.000 0.000 0.241 240 I C 2.459 178.550 176.117 -0.042 0.000 1.070 240 I CA 1.304 62.580 61.300 -0.041 0.000 1.327 240 I CB -0.380 37.596 38.000 -0.040 0.000 1.034 240 I HN 0.138 nan 8.210 nan 0.000 0.405 241 L N 0.013 121.208 121.223 -0.047 0.000 2.046 241 L HA -0.260 4.080 4.340 -0.000 0.000 0.208 241 L C 2.690 179.535 176.870 -0.041 0.000 1.077 241 L CA 1.435 56.249 54.840 -0.045 0.000 0.747 241 L CB -0.642 41.386 42.059 -0.052 0.000 0.896 241 L HN 0.300 nan 8.230 nan 0.000 0.432 242 Q N 0.455 120.229 119.800 -0.045 0.000 2.084 242 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 242 Q C 2.130 178.108 176.000 -0.038 0.000 0.978 242 Q CA 1.765 57.543 55.803 -0.041 0.000 0.844 242 Q CB -0.159 28.552 28.738 -0.044 0.000 0.898 242 Q HN 0.469 nan 8.270 nan 0.000 0.426 243 Q N -1.562 118.214 119.800 -0.040 0.000 2.369 243 Q HA -0.023 4.317 4.340 -0.000 0.000 0.206 243 Q C 1.330 177.310 176.000 -0.033 0.000 0.963 243 Q CA 1.021 56.801 55.803 -0.039 0.000 0.894 243 Q CB 0.224 28.936 28.738 -0.043 0.000 0.965 243 Q HN 0.424 nan 8.270 nan 0.000 0.475 244 C N 0.535 119.816 119.300 -0.032 0.000 3.038 244 C HA 0.103 4.563 4.460 -0.000 0.000 0.279 244 C C -0.050 174.925 174.990 -0.025 0.000 1.276 244 C CA -0.563 58.438 59.018 -0.027 0.000 1.697 244 C CB -0.264 27.459 27.740 -0.028 0.000 2.032 244 C HN 0.501 nan 8.230 nan 0.000 0.636 245 D N 0.403 120.787 120.400 -0.026 0.000 2.837 245 D HA -0.180 4.460 4.640 -0.000 0.000 0.230 245 D C 1.334 177.621 176.300 -0.022 0.000 1.152 245 D CA 1.470 55.456 54.000 -0.024 0.000 0.736 245 D CB -1.350 39.438 40.800 -0.020 0.000 1.084 245 D HN 0.782 nan 8.370 nan 0.000 0.429 246 G N -0.264 108.521 108.800 -0.025 0.000 2.184 246 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.264 246 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.264 246 G C 0.203 175.091 174.900 -0.019 0.000 0.975 246 G CA 0.840 45.926 45.100 -0.023 0.000 0.642 246 G HN 0.459 nan 8.290 nan 0.000 0.536 247 K N 0.054 120.443 120.400 -0.019 0.000 2.263 247 K HA 0.789 5.109 4.320 -0.000 0.000 0.272 247 K C -0.358 176.232 176.600 -0.018 0.000 1.033 247 K CA -0.474 55.803 56.287 -0.016 0.000 0.884 247 K CB 2.066 34.558 32.500 -0.014 0.000 1.107 247 K HN 0.283 nan 8.250 nan 0.000 0.460 248 L N 1.895 123.108 121.223 -0.017 0.000 2.556 248 L HA 0.309 4.649 4.340 -0.000 0.000 0.257 248 L C -1.021 175.839 176.870 -0.018 0.000 0.955 248 L CA -0.294 54.534 54.840 -0.020 0.000 0.850 248 L CB 2.217 44.261 42.059 -0.025 0.000 1.398 248 L HN 0.675 nan 8.230 nan 0.000 0.412 249 D N 3.616 124.004 120.400 -0.020 0.000 2.498 249 D HA 0.230 4.870 4.640 -0.000 0.000 0.223 249 D C -0.273 176.014 176.300 -0.022 0.000 1.125 249 D CA 0.329 54.319 54.000 -0.016 0.000 0.835 249 D CB 1.756 42.548 40.800 -0.013 0.000 1.086 249 D HN 0.376 nan 8.370 nan 0.000 0.510 250 M N 1.250 120.831 119.600 -0.032 0.000 2.471 250 M HA 0.344 4.824 4.480 -0.000 0.000 0.284 250 M C -2.460 173.805 176.300 -0.058 0.000 1.203 250 M CA -0.745 54.529 55.300 -0.043 0.000 0.915 250 M CB 2.908 35.480 32.600 -0.047 0.000 1.734 250 M HN -0.117 nan 8.290 nan 0.000 0.485 251 L N 4.628 125.808 121.223 -0.071 0.000 2.409 251 L HA 0.787 5.127 4.340 -0.000 0.000 0.272 251 L C -1.942 174.859 176.870 -0.115 0.000 0.980 251 L CA -0.402 54.386 54.840 -0.087 0.000 0.826 251 L CB 2.152 44.161 42.059 -0.082 0.000 1.268 251 L HN 0.518 nan 8.230 nan 0.000 0.407 252 V N 4.665 124.504 119.914 -0.126 0.000 2.409 252 V HA 0.941 5.061 4.120 -0.000 0.000 0.291 252 V C -0.098 175.907 176.094 -0.149 0.000 1.020 252 V CA -0.095 62.111 62.300 -0.156 0.000 0.848 252 V CB 1.212 32.926 31.823 -0.182 0.000 0.990 252 V HN 0.956 nan 8.190 nan 0.000 0.430 253 A N 3.550 126.272 122.820 -0.164 0.000 2.486 253 A HA 0.840 5.160 4.320 -0.000 0.000 0.300 253 A C -0.119 177.380 177.584 -0.142 0.000 1.048 253 A CA -0.485 51.462 52.037 -0.148 0.000 0.696 253 A CB 1.889 20.794 19.000 -0.158 0.000 1.278 253 A HN 0.958 nan 8.150 nan 0.000 0.405 254 S N 0.559 116.194 115.700 -0.108 0.000 2.601 254 S HA 0.654 5.124 4.470 -0.000 0.000 0.271 254 S C -0.131 174.448 174.600 -0.036 0.000 1.305 254 S CA -0.494 57.664 58.200 -0.070 0.000 1.022 254 S CB 1.138 64.293 63.200 -0.075 0.000 0.940 254 S HN 1.054 nan 8.310 nan 0.000 0.525 255 V N 2.186 122.123 119.914 0.039 0.000 2.495 255 V HA 0.724 4.844 4.120 -0.000 0.000 0.298 255 V C 0.927 177.092 176.094 0.118 0.000 1.031 255 V CA -0.109 62.244 62.300 0.089 0.000 0.871 255 V CB 1.125 33.082 31.823 0.223 0.000 0.988 255 V HN 1.135 nan 8.190 nan 0.000 0.432 256 G N 2.238 111.089 108.800 0.085 0.000 2.485 256 G HA2 0.073 4.033 3.960 -0.000 0.000 0.192 256 G HA3 0.073 4.033 3.960 -0.000 0.000 0.192 256 G C 1.238 176.174 174.900 0.060 0.000 1.368 256 G CA 0.939 46.100 45.100 0.102 0.000 0.685 256 G HN 0.681 nan 8.290 nan 0.000 0.608 257 T N -2.501 112.027 114.554 -0.043 0.000 3.009 257 T HA 0.380 4.730 4.350 -0.000 0.000 0.258 257 T C 1.942 176.639 174.700 -0.005 0.000 1.063 257 T CA 1.329 63.357 62.100 -0.120 0.000 1.139 257 T CB 0.264 68.938 68.868 -0.324 0.000 0.890 257 T HN 1.709 nan 8.240 nan 0.000 0.471 258 G N 0.205 109.007 108.800 0.004 0.000 2.195 258 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.224 258 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.224 258 G C 1.164 176.050 174.900 -0.023 0.000 0.990 258 G CA 0.137 45.251 45.100 0.024 0.000 0.639 258 G HN 0.867 nan 8.290 nan 0.000 0.514 259 G N 0.489 109.274 108.800 -0.026 0.000 2.545 259 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.217 259 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.217 259 G C 1.750 176.641 174.900 -0.015 0.000 1.218 259 G CA 2.633 47.752 45.100 0.032 0.000 0.787 259 G HN 0.784 nan 8.290 nan 0.000 0.571 260 T N 0.993 115.378 114.554 -0.281 0.000 2.570 260 T HA -0.204 4.146 4.350 -0.000 0.000 0.266 260 T C 2.287 176.804 174.700 -0.304 0.000 1.071 260 T CA 1.372 63.068 62.100 -0.674 0.000 1.172 260 T CB -0.314 68.198 68.868 -0.593 0.000 0.864 260 T HN 0.228 nan 8.240 nan 0.000 0.421 261 I N 0.554 121.001 120.570 -0.205 0.000 2.286 261 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 261 I C 2.327 178.366 176.117 -0.130 0.000 1.115 261 I CA 1.316 62.516 61.300 -0.167 0.000 1.392 261 I CB -0.207 37.680 38.000 -0.188 0.000 1.065 261 I HN 0.284 nan 8.210 nan 0.000 0.418 262 T N 0.161 114.652 114.554 -0.106 0.000 2.777 262 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 262 T C 1.681 176.309 174.700 -0.120 0.000 1.040 262 T CA 1.225 63.257 62.100 -0.114 0.000 1.141 262 T CB -0.690 68.119 68.868 -0.098 0.000 0.868 262 T HN 0.590 nan 8.240 nan 0.000 0.444 263 G N 1.489 110.261 108.800 -0.046 0.000 2.433 263 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 263 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 263 G C 1.522 176.474 174.900 0.086 0.000 1.186 263 G CA 0.541 45.672 45.100 0.052 0.000 0.779 263 G HN 0.484 nan 8.290 nan 0.000 0.543 264 I N 1.427 122.008 120.570 0.018 0.000 2.252 264 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 264 I C 3.288 179.396 176.117 -0.015 0.000 1.102 264 I CA 0.898 62.195 61.300 -0.005 0.000 1.385 264 I CB -0.240 37.727 38.000 -0.056 0.000 1.064 264 I HN 0.241 nan 8.210 nan 0.000 0.414 265 A N 0.906 123.696 122.820 -0.049 0.000 1.902 265 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 265 A C 2.419 179.994 177.584 -0.015 0.000 1.181 265 A CA 1.462 53.471 52.037 -0.047 0.000 0.623 265 A CB -0.556 18.395 19.000 -0.082 0.000 0.818 265 A HN 0.301 nan 8.150 nan 0.000 0.443 266 R N -0.958 119.493 120.500 -0.081 0.000 2.115 266 R HA -0.113 4.227 4.340 -0.000 0.000 0.230 266 R C 2.189 178.619 176.300 0.218 0.000 1.111 266 R CA 1.536 57.557 56.100 -0.131 0.000 0.976 266 R CB -0.118 29.776 30.300 -0.677 0.000 0.870 266 R HN 0.417 nan 8.270 nan 0.000 0.445 267 K N 0.507 121.056 120.400 0.247 0.000 2.167 267 K HA -0.048 4.272 4.320 -0.000 0.000 0.203 267 K C 1.639 178.264 176.600 0.043 0.000 1.052 267 K CA 0.925 57.269 56.287 0.095 0.000 0.956 267 K CB -0.075 32.303 32.500 -0.203 0.000 0.735 267 K HN -0.031 nan 8.250 nan 0.000 0.451 268 L N 1.269 122.516 121.223 0.040 0.000 2.044 268 L HA 0.045 4.385 4.340 -0.000 0.000 0.205 268 L C 1.843 178.747 176.870 0.056 0.000 1.075 268 L CA 1.686 56.539 54.840 0.022 0.000 0.747 268 L CB -0.535 41.523 42.059 -0.000 0.000 0.903 268 L HN 0.112 nan 8.230 nan 0.000 0.435 269 K N -0.460 119.998 120.400 0.096 0.000 2.280 269 K HA -0.174 4.146 4.320 -0.000 0.000 0.202 269 K C 1.794 178.476 176.600 0.136 0.000 1.047 269 K CA 1.148 57.508 56.287 0.122 0.000 0.942 269 K CB 0.034 32.642 32.500 0.180 0.000 0.739 269 K HN 0.500 nan 8.250 nan 0.000 0.457 270 E N 0.289 120.590 120.200 0.168 0.000 2.060 270 E HA -0.080 4.270 4.350 -0.000 0.000 0.189 270 E C 1.884 178.527 176.600 0.072 0.000 0.974 270 E CA 0.677 57.167 56.400 0.149 0.000 0.808 270 E CB 0.227 30.059 29.700 0.220 0.000 0.768 270 E HN 0.105 nan 8.360 nan 0.000 0.453 271 K N 0.302 120.729 120.400 0.044 0.000 2.099 271 K HA 0.049 4.369 4.320 -0.000 0.000 0.203 271 K C 1.161 177.766 176.600 0.009 0.000 1.047 271 K CA 0.337 56.631 56.287 0.011 0.000 0.963 271 K CB -0.278 32.212 32.500 -0.018 0.000 0.759 271 K HN 0.087 nan 8.250 nan 0.000 0.451 272 C N 5.227 124.534 119.300 0.012 0.000 2.185 272 C HA 0.341 4.801 4.460 -0.000 0.000 0.357 272 C C -1.245 173.756 174.990 0.017 0.000 1.053 272 C CA -2.248 56.775 59.018 0.007 0.000 1.552 272 C CB -0.072 27.666 27.740 -0.003 0.000 1.679 272 C HN 0.233 nan 8.230 nan 0.000 0.453 273 P HA -0.092 nan 4.420 nan 0.000 0.215 273 P C 1.479 178.790 177.300 0.019 0.000 1.157 273 P CA 2.140 65.255 63.100 0.026 0.000 0.874 273 P CB -0.056 31.656 31.700 0.020 0.000 0.790 274 G N -0.840 107.967 108.800 0.011 0.000 2.807 274 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.207 274 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.207 274 G C 0.356 175.258 174.900 0.004 0.000 1.151 274 G CA -0.201 44.903 45.100 0.007 0.000 0.800 274 G HN 0.303 nan 8.290 nan 0.000 0.523 275 C N 1.167 120.469 119.300 0.004 0.000 2.482 275 C HA 0.440 4.900 4.460 -0.000 0.000 0.378 275 C C 0.836 175.823 174.990 -0.006 0.000 1.284 275 C CA -0.975 58.040 59.018 -0.005 0.000 1.826 275 C CB -0.446 27.289 27.740 -0.008 0.000 2.473 275 C HN 0.426 nan 8.230 nan 0.000 0.562 276 R N 3.475 123.967 120.500 -0.013 0.000 2.308 276 R HA 0.526 4.866 4.340 -0.000 0.000 0.305 276 R C -0.332 175.945 176.300 -0.038 0.000 1.053 276 R CA -0.216 55.875 56.100 -0.016 0.000 0.957 276 R CB 0.472 30.768 30.300 -0.007 0.000 1.022 276 R HN 0.525 nan 8.270 nan 0.000 0.461 277 I N 4.790 125.329 120.570 -0.052 0.000 2.336 277 I HA 0.310 4.480 4.170 -0.000 0.000 0.292 277 I C -0.206 175.828 176.117 -0.137 0.000 0.991 277 I CA -0.615 60.626 61.300 -0.099 0.000 1.227 277 I CB 1.273 39.209 38.000 -0.107 0.000 1.366 277 I HN 0.474 nan 8.210 nan 0.000 0.466 278 I N 5.191 125.664 120.570 -0.162 0.000 2.436 278 I HA 0.451 4.621 4.170 -0.000 0.000 0.289 278 I C 0.573 176.518 176.117 -0.286 0.000 1.010 278 I CA -0.429 60.773 61.300 -0.164 0.000 1.098 278 I CB 1.527 39.474 38.000 -0.088 0.000 1.266 278 I HN 0.555 nan 8.210 nan 0.000 0.434 279 G N 5.370 113.880 108.800 -0.483 0.000 2.379 279 G HA2 0.559 4.519 3.960 -0.000 0.000 0.327 279 G HA3 0.559 4.519 3.960 -0.000 0.000 0.327 279 G C -0.884 173.915 174.900 -0.168 0.000 1.145 279 G CA -0.340 44.362 45.100 -0.663 0.000 0.905 279 G HN 0.314 nan 8.290 nan 0.000 0.466 280 V N 2.741 122.628 119.914 -0.044 0.000 2.347 280 V HA 0.314 4.434 4.120 -0.000 0.000 0.280 280 V C -0.773 175.426 176.094 0.175 0.000 1.021 280 V CA -0.547 61.803 62.300 0.082 0.000 0.847 280 V CB 1.375 33.164 31.823 -0.056 0.000 0.990 280 V HN 0.779 nan 8.190 nan 0.000 0.444 281 D N 6.953 127.504 120.400 0.252 0.000 2.375 281 D HA 0.522 5.162 4.640 -0.000 0.000 0.247 281 D C -2.674 173.624 176.300 -0.005 0.000 1.061 281 D CA -1.790 52.309 54.000 0.165 0.000 0.834 281 D CB 3.038 43.954 40.800 0.192 0.000 1.247 281 D HN 0.261 nan 8.370 nan 0.000 0.489 282 P HA 0.159 nan 4.420 nan 0.000 0.279 282 P C -0.675 176.514 177.300 -0.185 0.000 1.239 282 P CA -0.378 62.542 63.100 -0.301 0.000 0.789 282 P CB 0.835 32.093 31.700 -0.737 0.000 0.933 283 E N 1.097 121.236 120.200 -0.101 0.000 2.480 283 E HA 0.254 4.604 4.350 -0.000 0.000 0.258 283 E C 1.099 177.786 176.600 0.144 0.000 0.984 283 E CA 0.864 57.272 56.400 0.015 0.000 0.930 283 E CB -0.326 29.393 29.700 0.031 0.000 0.936 283 E HN 0.832 nan 8.360 nan 0.000 0.466 284 G N 2.301 111.189 108.800 0.147 0.000 2.192 284 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.193 284 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.193 284 G C 0.173 175.208 174.900 0.225 0.000 0.999 284 G CA 0.056 45.284 45.100 0.214 0.000 0.659 284 G HN 0.533 nan 8.290 nan 0.000 0.503 285 S N -0.561 115.237 115.700 0.164 0.000 2.607 285 S HA 0.750 5.220 4.470 -0.000 0.000 0.303 285 S C 1.226 175.828 174.600 0.003 0.000 1.086 285 S CA -0.218 58.053 58.200 0.119 0.000 0.995 285 S CB 1.204 64.482 63.200 0.130 0.000 1.084 285 S HN 1.040 nan 8.310 nan 0.000 0.507 286 I N 1.559 122.113 120.570 -0.027 0.000 4.082 286 I HA 0.303 4.473 4.170 -0.000 0.000 0.337 286 I C 0.957 176.981 176.117 -0.156 0.000 1.352 286 I CA -0.030 61.216 61.300 -0.090 0.000 1.097 286 I CB -0.077 37.871 38.000 -0.087 0.000 1.048 286 I HN 0.467 nan 8.210 nan 0.000 0.393 287 L N 2.035 123.163 121.223 -0.160 0.000 2.017 287 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 287 L C 2.013 178.330 176.870 -0.921 0.000 1.073 287 L CA 0.916 55.564 54.840 -0.320 0.000 0.745 287 L CB -0.713 41.280 42.059 -0.109 0.000 0.894 287 L HN 0.410 nan 8.230 nan 0.000 0.432 288 A N 0.660 122.866 122.820 -1.024 0.000 2.492 288 A HA 0.152 4.472 4.320 -0.000 0.000 0.236 288 A C 0.041 176.996 177.584 -1.048 0.000 1.078 288 A CA 0.276 51.390 52.037 -1.538 0.000 0.773 288 A CB 0.086 18.767 19.000 -0.531 0.000 1.023 288 A HN 0.383 nan 8.150 nan 0.000 0.504 289 E N 0.964 120.525 120.200 -1.065 0.000 2.317 289 E HA 0.445 4.795 4.350 -0.000 0.000 0.270 289 E C -2.687 173.824 176.600 -0.149 0.000 0.885 289 E CA -1.832 54.325 56.400 -0.404 0.000 0.760 289 E CB 1.620 31.189 29.700 -0.218 0.000 1.227 289 E HN 0.456 nan 8.360 nan 0.000 0.434 290 P HA 0.020 nan 4.420 nan 0.000 0.286 290 P C 0.689 177.917 177.300 -0.119 0.000 1.293 290 P CA -0.360 62.687 63.100 -0.089 0.000 0.770 290 P CB 0.672 32.343 31.700 -0.049 0.000 1.206 291 E N 0.372 120.517 120.200 -0.091 0.000 2.049 291 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 291 E C 1.666 178.219 176.600 -0.078 0.000 1.007 291 E CA 1.736 58.084 56.400 -0.087 0.000 0.809 291 E CB -0.546 29.117 29.700 -0.060 0.000 0.749 291 E HN 0.453 nan 8.360 nan 0.000 0.450 292 E N 1.012 121.175 120.200 -0.062 0.000 2.136 292 E HA -0.215 4.135 4.350 -0.000 0.000 0.208 292 E C 2.096 178.661 176.600 -0.058 0.000 1.035 292 E CA 0.890 57.259 56.400 -0.052 0.000 0.838 292 E CB -0.388 29.286 29.700 -0.045 0.000 0.748 292 E HN 0.142 nan 8.360 nan 0.000 0.459 293 L N 0.893 122.070 121.223 -0.075 0.000 2.137 293 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 293 L C 1.069 177.898 176.870 -0.068 0.000 1.085 293 L CA 1.629 56.423 54.840 -0.077 0.000 0.760 293 L CB -1.045 40.952 42.059 -0.103 0.000 0.893 293 L HN 0.271 nan 8.230 nan 0.000 0.434 294 N N 0.183 118.835 118.700 -0.080 0.000 2.276 294 N HA 0.020 4.760 4.740 -0.000 0.000 0.212 294 N C 0.142 175.627 175.510 -0.043 0.000 1.127 294 N CA 0.064 53.075 53.050 -0.066 0.000 0.834 294 N CB 0.243 38.676 38.487 -0.090 0.000 1.014 294 N HN 0.506 nan 8.380 nan 0.000 0.491 295 Q N 0.907 120.685 119.800 -0.036 0.000 2.381 295 Q HA 0.228 4.568 4.340 -0.000 0.000 0.243 295 Q C -0.385 175.607 176.000 -0.013 0.000 1.154 295 Q CA 0.451 56.239 55.803 -0.025 0.000 0.899 295 Q CB 0.345 29.069 28.738 -0.024 0.000 1.396 295 Q HN 0.036 nan 8.270 nan 0.000 0.485 296 T N 0.263 114.811 114.554 -0.010 0.000 2.722 296 T HA 0.095 4.445 4.350 -0.000 0.000 0.314 296 T C 0.139 174.838 174.700 -0.002 0.000 1.675 296 T CA -0.759 61.341 62.100 0.000 0.000 1.003 296 T CB 1.357 70.234 68.868 0.014 0.000 1.602 296 T HN 0.366 nan 8.240 nan 0.000 0.496 297 E N 0.117 120.319 120.200 0.003 0.000 2.415 297 E HA 0.066 4.416 4.350 -0.000 0.000 0.197 297 E C 0.131 176.733 176.600 0.004 0.000 1.007 297 E CA 0.214 56.612 56.400 -0.003 0.000 0.890 297 E CB 0.382 30.080 29.700 -0.004 0.000 0.891 297 E HN 0.418 nan 8.360 nan 0.000 0.496 298 Q N 0.504 120.319 119.800 0.024 0.000 2.269 298 Q HA -0.033 4.307 4.340 -0.000 0.000 0.300 298 Q C 0.620 176.641 176.000 0.035 0.000 1.070 298 Q CA 0.697 56.528 55.803 0.045 0.000 0.957 298 Q CB 0.965 29.757 28.738 0.090 0.000 1.131 298 Q HN -0.047 nan 8.270 nan 0.000 0.377 299 T N 0.617 115.171 114.554 -0.000 0.000 2.958 299 T HA 0.063 4.413 4.350 -0.000 0.000 0.256 299 T C 0.102 174.726 174.700 -0.127 0.000 0.983 299 T CA 0.587 62.660 62.100 -0.044 0.000 0.924 299 T CB 0.599 69.427 68.868 -0.066 0.000 1.136 299 T HN 0.744 nan 8.240 nan 0.000 0.506 300 T N 0.786 115.273 114.554 -0.111 0.000 2.887 300 T HA 0.763 5.113 4.350 -0.000 0.000 0.288 300 T C -1.171 173.477 174.700 -0.086 0.000 1.021 300 T CA -0.772 61.186 62.100 -0.236 0.000 1.000 300 T CB 1.870 70.667 68.868 -0.118 0.000 1.034 300 T HN 0.256 nan 8.240 nan 0.000 0.467 301 Y N -1.007 119.367 120.300 0.123 0.000 2.638 301 Y HA 0.676 5.226 4.550 -0.000 0.000 0.335 301 Y C 0.422 176.466 175.900 0.239 0.000 1.155 301 Y CA -1.450 56.750 58.100 0.167 0.000 1.046 301 Y CB 0.692 39.215 38.460 0.105 0.000 1.303 301 Y HN 0.451 nan 8.280 nan 0.000 0.460 302 E N 0.600 121.153 120.200 0.587 0.000 2.318 302 E HA 0.077 4.427 4.350 -0.000 0.000 0.193 302 E C 0.398 177.382 176.600 0.640 0.000 0.998 302 E CA 0.620 57.422 56.400 0.670 0.000 0.859 302 E CB 0.290 30.597 29.700 1.012 0.000 0.812 302 E HN 0.527 nan 8.360 nan 0.000 0.492 303 V N 1.289 121.450 119.914 0.413 0.000 2.529 303 V HA 0.091 4.211 4.120 -0.000 0.000 0.292 303 V C 0.273 176.552 176.094 0.309 0.000 1.028 303 V CA -0.353 62.050 62.300 0.172 0.000 1.074 303 V CB 0.156 31.844 31.823 -0.224 0.000 0.958 303 V HN -0.058 nan 8.190 nan 0.000 0.481 304 E N 3.318 123.706 120.200 0.314 0.000 2.277 304 E HA 0.599 4.949 4.350 -0.000 0.000 0.274 304 E C 1.109 177.867 176.600 0.263 0.000 1.022 304 E CA -0.168 56.435 56.400 0.339 0.000 0.853 304 E CB 1.423 31.369 29.700 0.409 0.000 1.086 304 E HN 1.179 nan 8.360 nan 0.000 0.397 305 G N 1.779 110.734 108.800 0.257 0.000 2.225 305 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 305 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 305 G C 0.246 175.248 174.900 0.171 0.000 0.988 305 G CA 0.468 45.688 45.100 0.200 0.000 0.625 305 G HN 0.569 nan 8.290 nan 0.000 0.527 306 I N -2.662 118.013 120.570 0.175 0.000 2.740 306 I HA 0.843 5.013 4.170 -0.000 0.000 0.303 306 I C 0.682 176.916 176.117 0.194 0.000 1.044 306 I CA -0.746 60.629 61.300 0.126 0.000 1.064 306 I CB 2.078 40.081 38.000 0.005 0.000 1.249 306 I HN 1.672 nan 8.210 nan 0.000 0.433 307 G N 1.580 110.500 108.800 0.201 0.000 2.746 307 G HA2 0.027 3.987 3.960 -0.000 0.000 0.685 307 G HA3 0.027 3.987 3.960 -0.000 0.000 0.685 307 G C -1.608 173.574 174.900 0.470 0.000 1.350 307 G CA -0.232 45.036 45.100 0.280 0.000 0.837 307 G HN 1.315 nan 8.290 nan 0.000 0.564 308 Y N -0.503 119.917 120.300 0.200 0.000 2.717 308 Y HA 0.411 4.961 4.550 -0.000 0.000 0.345 308 Y C -0.046 175.876 175.900 0.036 0.000 1.187 308 Y CA -0.106 58.087 58.100 0.155 0.000 1.128 308 Y CB 0.938 39.517 38.460 0.199 0.000 1.360 308 Y HN 0.773 nan 8.280 nan 0.000 0.467 309 D N 1.019 121.199 120.400 -0.367 0.000 2.358 309 D HA 0.268 4.908 4.640 -0.000 0.000 0.224 309 D C -0.689 175.161 176.300 -0.750 0.000 1.123 309 D CA 0.460 54.150 54.000 -0.518 0.000 0.833 309 D CB 0.033 40.434 40.800 -0.667 0.000 0.946 309 D HN 0.138 nan 8.370 nan 0.000 0.505 310 F N -0.124 119.805 119.950 -0.036 0.000 2.619 310 F HA 0.409 4.936 4.527 -0.000 0.000 0.308 310 F C -0.313 175.653 175.800 0.277 0.000 1.097 310 F CA -1.454 56.606 58.000 0.100 0.000 0.953 310 F CB 1.864 40.908 39.000 0.074 0.000 1.287 310 F HN -0.297 nan 8.300 nan 0.000 0.446 311 I N 4.180 124.968 120.570 0.364 0.000 2.294 311 I HA 0.217 4.387 4.170 -0.000 0.000 0.295 311 I C -2.299 173.959 176.117 0.234 0.000 1.098 311 I CA -1.731 59.717 61.300 0.248 0.000 1.277 311 I CB 0.378 38.466 38.000 0.145 0.000 1.434 311 I HN 0.145 nan 8.210 nan 0.000 0.498 312 P HA -0.078 nan 4.420 nan 0.000 0.266 312 P C 1.040 178.419 177.300 0.131 0.000 1.193 312 P CA 0.232 63.450 63.100 0.198 0.000 0.770 312 P CB 0.642 32.477 31.700 0.225 0.000 0.836 313 T N 0.126 114.738 114.554 0.097 0.000 2.995 313 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 313 T C 1.313 176.040 174.700 0.045 0.000 1.091 313 T CA 1.457 63.590 62.100 0.055 0.000 1.128 313 T CB -0.760 68.121 68.868 0.022 0.000 0.891 313 T HN 0.190 nan 8.240 nan 0.000 0.492 314 V N -0.202 119.740 119.914 0.047 0.000 3.217 314 V HA 0.357 4.477 4.120 -0.000 0.000 0.264 314 V C 1.003 177.101 176.094 0.007 0.000 1.135 314 V CA 0.008 62.312 62.300 0.008 0.000 1.142 314 V CB -1.216 30.599 31.823 -0.013 0.000 0.754 314 V HN 0.443 nan 8.190 nan 0.000 0.484 315 L N 2.341 123.593 121.223 0.047 0.000 2.290 315 L HA 0.600 4.940 4.340 -0.000 0.000 0.284 315 L C -0.499 176.413 176.870 0.068 0.000 1.078 315 L CA 0.093 54.972 54.840 0.065 0.000 0.815 315 L CB 0.849 42.983 42.059 0.125 0.000 1.162 315 L HN 0.243 nan 8.230 nan 0.000 0.435 316 D N 3.934 124.362 120.400 0.046 0.000 2.479 316 D HA 0.245 4.885 4.640 -0.000 0.000 0.247 316 D C 0.821 177.184 176.300 0.106 0.000 1.119 316 D CA -0.310 53.723 54.000 0.056 0.000 0.922 316 D CB 0.602 41.390 40.800 -0.020 0.000 1.014 316 D HN 0.620 nan 8.370 nan 0.000 0.510 317 R N 0.934 121.540 120.500 0.177 0.000 2.341 317 R HA -0.042 4.298 4.340 -0.000 0.000 0.213 317 R C 1.602 178.036 176.300 0.223 0.000 1.082 317 R CA 0.839 57.110 56.100 0.285 0.000 1.017 317 R CB 0.060 30.546 30.300 0.310 0.000 0.860 317 R HN 0.276 nan 8.270 nan 0.000 0.473 318 T N 0.255 114.905 114.554 0.161 0.000 2.915 318 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 318 T C 1.691 176.473 174.700 0.137 0.000 1.071 318 T CA 1.408 63.599 62.100 0.152 0.000 1.132 318 T CB 0.091 69.059 68.868 0.168 0.000 0.878 318 T HN 0.255 nan 8.240 nan 0.000 0.479 319 V N -0.974 119.002 119.914 0.103 0.000 3.649 319 V HA 0.332 4.452 4.120 -0.000 0.000 0.275 319 V C 0.675 176.767 176.094 -0.003 0.000 1.281 319 V CA -0.283 62.057 62.300 0.067 0.000 1.143 319 V CB -0.531 31.305 31.823 0.022 0.000 0.892 319 V HN 0.071 nan 8.190 nan 0.000 0.441 320 V N 2.462 122.362 119.914 -0.024 0.000 2.389 320 V HA 0.265 4.385 4.120 -0.000 0.000 0.264 320 V C 1.043 177.082 176.094 -0.092 0.000 1.049 320 V CA -0.067 62.128 62.300 -0.175 0.000 0.932 320 V CB 0.829 32.399 31.823 -0.422 0.000 1.011 320 V HN 0.385 nan 8.190 nan 0.000 0.475 321 D N 3.344 123.691 120.400 -0.089 0.000 2.219 321 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 321 D C 0.816 177.114 176.300 -0.004 0.000 0.970 321 D CA 1.198 55.186 54.000 -0.021 0.000 0.851 321 D CB 0.512 41.305 40.800 -0.012 0.000 0.943 321 D HN 0.577 nan 8.370 nan 0.000 0.488 322 K N -0.807 119.552 120.400 -0.067 0.000 2.598 322 K HA 0.212 4.532 4.320 -0.000 0.000 0.271 322 K C -2.022 174.551 176.600 -0.044 0.000 0.947 322 K CA -0.637 55.656 56.287 0.009 0.000 0.854 322 K CB 1.051 33.570 32.500 0.031 0.000 1.401 322 K HN -0.224 nan 8.250 nan 0.000 0.415 323 W N 2.516 123.781 121.300 -0.059 0.000 2.655 323 W HA 0.655 5.315 4.660 -0.000 0.000 0.358 323 W C -0.725 175.694 176.519 -0.166 0.000 1.100 323 W CA -0.404 56.934 57.345 -0.011 0.000 1.195 323 W CB 1.082 30.524 29.460 -0.031 0.000 1.403 323 W HN 0.293 nan 8.180 nan 0.000 0.589 324 F N 1.608 121.682 119.950 0.208 0.000 2.591 324 F HA 0.404 4.931 4.527 -0.000 0.000 0.309 324 F C 0.067 175.907 175.800 0.066 0.000 1.098 324 F CA -1.366 56.679 58.000 0.076 0.000 0.937 324 F CB 1.591 40.582 39.000 -0.015 0.000 1.250 324 F HN -0.109 nan 8.300 nan 0.000 0.447 325 K N 1.385 121.891 120.400 0.177 0.000 2.098 325 K HA 0.761 5.081 4.320 -0.000 0.000 0.258 325 K C -0.373 176.247 176.600 0.034 0.000 0.973 325 K CA -0.455 55.878 56.287 0.077 0.000 0.898 325 K CB 1.916 34.431 32.500 0.026 0.000 1.057 325 K HN 0.758 nan 8.250 nan 0.000 0.447 326 S N -0.039 115.633 115.700 -0.046 0.000 2.697 326 S HA 0.636 5.106 4.470 -0.000 0.000 0.289 326 S C -0.762 173.761 174.600 -0.128 0.000 1.149 326 S CA -0.936 57.199 58.200 -0.107 0.000 0.850 326 S CB 1.453 64.544 63.200 -0.181 0.000 1.151 326 S HN 0.678 nan 8.310 nan 0.000 0.491 327 N N -0.716 117.900 118.700 -0.140 0.000 2.509 327 N HA 0.494 5.234 4.740 -0.000 0.000 0.280 327 N C -0.451 174.932 175.510 -0.212 0.000 1.306 327 N CA -0.847 52.138 53.050 -0.109 0.000 0.782 327 N CB 0.436 38.916 38.487 -0.011 0.000 1.493 327 N HN 0.352 nan 8.380 nan 0.000 0.498 328 D N 0.060 120.356 120.400 -0.172 0.000 2.092 328 D HA -0.219 4.421 4.640 -0.000 0.000 0.193 328 D C 1.281 177.226 176.300 -0.592 0.000 0.994 328 D CA 1.574 55.300 54.000 -0.456 0.000 0.828 328 D CB -0.168 40.592 40.800 -0.066 0.000 0.963 328 D HN 0.845 nan 8.370 nan 0.000 0.450 329 E N 0.544 120.628 120.200 -0.194 0.000 2.070 329 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 329 E C 1.987 178.568 176.600 -0.031 0.000 1.004 329 E CA 1.451 57.836 56.400 -0.025 0.000 0.805 329 E CB -0.010 29.835 29.700 0.241 0.000 0.744 329 E HN 0.298 nan 8.360 nan 0.000 0.451 330 E N -0.360 119.816 120.200 -0.041 0.000 2.058 330 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 330 E C 1.948 178.516 176.600 -0.054 0.000 0.997 330 E CA 1.089 57.496 56.400 0.012 0.000 0.801 330 E CB -0.206 29.453 29.700 -0.069 0.000 0.746 330 E HN 0.369 nan 8.360 nan 0.000 0.450 331 A N 0.545 123.180 122.820 -0.309 0.000 1.851 331 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 331 A C 2.019 179.352 177.584 -0.417 0.000 1.195 331 A CA 1.638 53.395 52.037 -0.466 0.000 0.622 331 A CB -1.161 17.383 19.000 -0.761 0.000 0.831 331 A HN 0.409 nan 8.150 nan 0.000 0.444 332 F N 0.801 120.559 119.950 -0.321 0.000 2.234 332 F HA -0.169 4.358 4.527 0.000 0.000 0.299 332 F C 2.933 178.624 175.800 -0.182 0.000 1.087 332 F CA 1.314 59.082 58.000 -0.386 0.000 1.340 332 F CB -0.505 38.315 39.000 -0.299 0.000 1.031 332 F HN 0.401 nan 8.300 nan 0.000 0.500 333 T N -2.145 112.474 114.554 0.108 0.000 2.821 333 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 333 T C 1.645 176.350 174.700 0.007 0.000 1.046 333 T CA 1.002 63.155 62.100 0.088 0.000 1.139 333 T CB -0.858 68.070 68.868 0.100 0.000 0.871 333 T HN 0.122 nan 8.240 nan 0.000 0.454 334 F N 1.955 121.851 119.950 -0.091 0.000 2.293 334 F HA 0.405 4.932 4.527 -0.000 0.000 0.297 334 F C 2.841 178.564 175.800 -0.128 0.000 1.089 334 F CA 0.279 58.217 58.000 -0.104 0.000 1.377 334 F CB -0.685 38.218 39.000 -0.162 0.000 1.051 334 F HN 0.247 nan 8.300 nan 0.000 0.511 335 A N 0.117 122.902 122.820 -0.058 0.000 1.902 335 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 335 A C 2.265 179.840 177.584 -0.016 0.000 1.181 335 A CA 1.549 53.469 52.037 -0.195 0.000 0.623 335 A CB -0.608 17.951 19.000 -0.735 0.000 0.818 335 A HN 0.279 nan 8.150 nan 0.000 0.443 336 R N -1.577 118.952 120.500 0.047 0.000 2.115 336 R HA 0.005 4.345 4.340 -0.000 0.000 0.230 336 R C 2.210 178.538 176.300 0.046 0.000 1.111 336 R CA 1.499 57.676 56.100 0.128 0.000 0.976 336 R CB -0.281 30.107 30.300 0.146 0.000 0.870 336 R HN 0.645 nan 8.270 nan 0.000 0.445 337 M N 0.121 119.711 119.600 -0.017 0.000 2.254 337 M HA -0.092 4.388 4.480 -0.000 0.000 0.265 337 M C 1.608 177.903 176.300 -0.009 0.000 1.066 337 M CA 1.409 56.677 55.300 -0.054 0.000 1.123 337 M CB 0.220 32.704 32.600 -0.193 0.000 1.388 337 M HN 0.142 nan 8.290 nan 0.000 0.425 338 L N -0.368 120.861 121.223 0.011 0.000 2.109 338 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 338 L C 2.126 179.010 176.870 0.024 0.000 1.086 338 L CA 0.930 55.786 54.840 0.027 0.000 0.760 338 L CB -0.382 41.689 42.059 0.020 0.000 0.910 338 L HN 0.327 nan 8.230 nan 0.000 0.437 339 I N -0.489 120.098 120.570 0.027 0.000 2.286 339 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 339 I C 2.675 178.807 176.117 0.026 0.000 1.104 339 I CA 1.073 62.388 61.300 0.025 0.000 1.397 339 I CB -0.355 37.673 38.000 0.047 0.000 1.072 339 I HN 0.156 nan 8.210 nan 0.000 0.417 340 A N -0.146 122.690 122.820 0.026 0.000 1.930 340 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 340 A C 2.195 179.790 177.584 0.018 0.000 1.176 340 A CA 1.171 53.220 52.037 0.020 0.000 0.632 340 A CB -0.230 18.780 19.000 0.016 0.000 0.819 340 A HN 0.440 nan 8.150 nan 0.000 0.445 341 Q N -1.468 118.344 119.800 0.019 0.000 2.394 341 Q HA 0.054 4.394 4.340 -0.000 0.000 0.218 341 Q C 0.991 177.013 176.000 0.036 0.000 0.907 341 Q CA 0.600 56.417 55.803 0.023 0.000 0.919 341 Q CB 0.391 29.140 28.738 0.018 0.000 1.051 341 Q HN 0.513 nan 8.270 nan 0.000 0.538 342 E N -0.639 119.588 120.200 0.045 0.000 2.489 342 E HA 0.122 4.472 4.350 -0.000 0.000 0.204 342 E C 0.691 177.335 176.600 0.073 0.000 1.006 342 E CA 0.572 57.008 56.400 0.061 0.000 0.936 342 E CB 1.235 30.979 29.700 0.073 0.000 1.002 342 E HN 0.386 nan 8.360 nan 0.000 0.488 343 G N 2.161 110.996 108.800 0.058 0.000 2.198 343 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 343 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 343 G C 0.060 175.010 174.900 0.083 0.000 1.025 343 G CA 0.326 45.464 45.100 0.063 0.000 0.769 343 G HN 0.189 nan 8.290 nan 0.000 0.507 344 L N 0.284 121.544 121.223 0.061 0.000 2.264 344 L HA 0.446 4.786 4.340 -0.000 0.000 0.287 344 L C 1.096 177.841 176.870 -0.209 0.000 1.039 344 L CA -0.797 54.065 54.840 0.036 0.000 0.829 344 L CB 1.231 43.361 42.059 0.118 0.000 1.211 344 L HN 0.041 nan 8.230 nan 0.000 0.427 345 L N 4.177 125.207 121.223 -0.321 0.000 2.511 345 L HA 0.106 4.446 4.340 -0.000 0.000 0.239 345 L C 0.673 177.142 176.870 -0.669 0.000 1.400 345 L CA -0.454 54.175 54.840 -0.351 0.000 1.226 345 L CB -0.838 41.097 42.059 -0.206 0.000 1.475 345 L HN 0.749 nan 8.230 nan 0.000 0.428 346 C N -1.643 117.270 119.300 -0.645 0.000 2.365 346 C HA 0.911 5.371 4.460 -0.000 0.000 0.374 346 C C 1.123 176.075 174.990 -0.063 0.000 1.318 346 C CA -0.528 58.152 59.018 -0.563 0.000 2.239 346 C CB 0.539 28.018 27.740 -0.435 0.000 2.144 346 C HN 0.532 nan 8.230 nan 0.000 0.581 347 G N -0.502 108.311 108.800 0.023 0.000 2.642 347 G HA2 0.500 4.460 3.960 -0.000 0.000 0.291 347 G HA3 0.500 4.460 3.960 -0.000 0.000 0.291 347 G C 0.901 175.586 174.900 -0.358 0.000 1.345 347 G CA -0.043 45.094 45.100 0.062 0.000 1.043 347 G HN 1.343 nan 8.290 nan 0.000 0.528 348 G N -0.565 107.805 108.800 -0.717 0.000 2.440 348 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 348 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 348 G C 2.044 176.689 174.900 -0.424 0.000 1.154 348 G CA 1.804 46.505 45.100 -0.665 0.000 0.767 348 G HN 0.688 nan 8.290 nan 0.000 0.552 349 S N 0.761 116.314 115.700 -0.246 0.000 2.370 349 S HA -0.062 4.408 4.470 -0.000 0.000 0.226 349 S C 2.738 177.237 174.600 -0.167 0.000 1.033 349 S CA 1.735 59.838 58.200 -0.161 0.000 1.011 349 S CB -0.493 62.682 63.200 -0.040 0.000 0.852 349 S HN 0.601 nan 8.310 nan 0.000 0.457 350 A N 0.775 123.512 122.820 -0.139 0.000 1.908 350 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 350 A C 2.346 179.840 177.584 -0.149 0.000 1.181 350 A CA 1.936 53.911 52.037 -0.103 0.000 0.627 350 A CB -1.652 17.311 19.000 -0.063 0.000 0.818 350 A HN 0.636 nan 8.150 nan 0.000 0.445 351 G N -0.774 107.895 108.800 -0.219 0.000 2.421 351 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 351 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 351 G C 1.829 176.563 174.900 -0.277 0.000 1.171 351 G CA 1.293 46.280 45.100 -0.190 0.000 0.775 351 G HN 0.488 nan 8.290 nan 0.000 0.543 352 S N 0.492 115.998 115.700 -0.322 0.000 2.365 352 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 352 S C 2.559 176.962 174.600 -0.327 0.000 1.039 352 S CA 1.907 59.905 58.200 -0.337 0.000 1.033 352 S CB -0.584 62.441 63.200 -0.291 0.000 0.887 352 S HN 0.505 nan 8.310 nan 0.000 0.447 353 T N 1.662 116.062 114.554 -0.257 0.000 2.821 353 T HA -0.020 4.330 4.350 -0.000 0.000 0.267 353 T C 1.880 176.410 174.700 -0.283 0.000 1.046 353 T CA 1.132 63.092 62.100 -0.234 0.000 1.139 353 T CB -0.324 68.450 68.868 -0.157 0.000 0.871 353 T HN 0.227 nan 8.240 nan 0.000 0.454 354 V N 1.453 121.198 119.914 -0.282 0.000 2.591 354 V HA 0.022 4.142 4.120 -0.000 0.000 0.249 354 V C 2.888 178.616 176.094 -0.610 0.000 1.053 354 V CA 1.132 63.261 62.300 -0.285 0.000 1.068 354 V CB -1.118 30.663 31.823 -0.070 0.000 0.689 354 V HN 0.501 nan 8.190 nan 0.000 0.462 355 A N 0.177 122.390 122.820 -1.011 0.000 1.908 355 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 355 A C 2.377 179.425 177.584 -0.894 0.000 1.181 355 A CA 2.259 53.298 52.037 -1.664 0.000 0.627 355 A CB -0.634 17.535 19.000 -1.385 0.000 0.818 355 A HN 0.341 nan 8.150 nan 0.000 0.445 356 V N -0.388 119.147 119.914 -0.631 0.000 2.379 356 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 356 V C 3.034 178.750 176.094 -0.629 0.000 1.044 356 V CA 1.651 63.593 62.300 -0.598 0.000 1.036 356 V CB -1.170 30.347 31.823 -0.511 0.000 0.664 356 V HN 0.616 nan 8.190 nan 0.000 0.453 357 A N 0.922 123.450 122.820 -0.487 0.000 1.908 357 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 357 A C 2.330 179.718 177.584 -0.326 0.000 1.181 357 A CA 2.260 54.075 52.037 -0.370 0.000 0.627 357 A CB -0.880 17.962 19.000 -0.262 0.000 0.818 357 A HN 0.712 nan 8.150 nan 0.000 0.445 358 V N -2.620 117.073 119.914 -0.368 0.000 3.026 358 V HA -0.157 3.963 4.120 -0.000 0.000 0.265 358 V C 1.674 177.635 176.094 -0.222 0.000 1.121 358 V CA 2.246 64.364 62.300 -0.303 0.000 1.142 358 V CB -0.772 30.708 31.823 -0.571 0.000 0.730 358 V HN 0.554 nan 8.190 nan 0.000 0.503 359 K N 0.959 121.180 120.400 -0.298 0.000 2.161 359 K HA 0.421 4.741 4.320 -0.000 0.000 0.205 359 K C 2.462 178.936 176.600 -0.209 0.000 1.035 359 K CA 0.986 57.147 56.287 -0.211 0.000 0.970 359 K CB -0.378 31.969 32.500 -0.254 0.000 0.866 359 K HN 0.404 nan 8.250 nan 0.000 0.461 360 A N 1.713 124.268 122.820 -0.442 0.000 1.940 360 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 360 A C 2.211 179.720 177.584 -0.124 0.000 1.176 360 A CA 1.928 53.777 52.037 -0.313 0.000 0.631 360 A CB -0.634 18.038 19.000 -0.546 0.000 0.814 360 A HN 0.334 nan 8.150 nan 0.000 0.446 361 A N -1.318 121.417 122.820 -0.141 0.000 2.235 361 A HA 0.064 4.384 4.320 -0.000 0.000 0.208 361 A C 1.830 179.393 177.584 -0.034 0.000 1.172 361 A CA 0.682 52.673 52.037 -0.076 0.000 0.786 361 A CB -0.303 18.646 19.000 -0.084 0.000 0.804 361 A HN 0.476 nan 8.150 nan 0.000 0.479 362 Q N 0.838 120.624 119.800 -0.023 0.000 2.061 362 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 362 Q C 1.918 177.928 176.000 0.016 0.000 0.984 362 Q CA 2.055 57.864 55.803 0.010 0.000 0.846 362 Q CB -0.501 28.253 28.738 0.027 0.000 0.902 362 Q HN 0.999 nan 8.270 nan 0.000 0.421 363 E N 0.096 120.307 120.200 0.019 0.000 2.171 363 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 363 E C 0.042 176.650 176.600 0.013 0.000 0.997 363 E CA 0.318 56.730 56.400 0.021 0.000 0.810 363 E CB -0.267 29.449 29.700 0.027 0.000 0.738 363 E HN 0.047 nan 8.360 nan 0.000 0.467 364 L N 2.518 123.744 121.223 0.005 0.000 2.455 364 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 364 L C 0.373 177.247 176.870 0.006 0.000 1.174 364 L CA 0.859 55.700 54.840 0.002 0.000 0.869 364 L CB 0.746 42.801 42.059 -0.007 0.000 1.130 364 L HN 0.168 nan 8.230 nan 0.000 0.474 365 Q N 2.297 122.100 119.800 0.006 0.000 2.195 365 Q HA 0.345 4.685 4.340 -0.000 0.000 0.250 365 Q C -0.332 175.671 176.000 0.006 0.000 0.988 365 Q CA -0.942 54.865 55.803 0.008 0.000 0.911 365 Q CB 1.228 29.970 28.738 0.008 0.000 1.258 365 Q HN 0.578 nan 8.270 nan 0.000 0.475 366 E N -0.340 119.865 120.200 0.007 0.000 2.437 366 E HA 0.116 4.466 4.350 -0.000 0.000 0.263 366 E C 0.427 177.029 176.600 0.003 0.000 1.030 366 E CA 0.542 56.945 56.400 0.006 0.000 0.934 366 E CB 0.097 29.801 29.700 0.007 0.000 0.943 366 E HN 0.886 nan 8.360 nan 0.000 0.444 367 G N 1.959 110.760 108.800 0.002 0.000 2.258 367 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.233 367 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.233 367 G C 0.180 175.079 174.900 -0.002 0.000 1.006 367 G CA 0.164 45.264 45.100 -0.000 0.000 0.620 367 G HN 0.539 nan 8.290 nan 0.000 0.511 368 Q N -0.259 119.540 119.800 -0.002 0.000 2.212 368 Q HA 0.717 5.057 4.340 -0.000 0.000 0.238 368 Q C 0.050 176.046 176.000 -0.008 0.000 0.955 368 Q CA -0.557 55.242 55.803 -0.005 0.000 0.906 368 Q CB 1.315 30.050 28.738 -0.005 0.000 1.215 368 Q HN 0.306 nan 8.270 nan 0.000 0.478 369 R N 0.166 120.659 120.500 -0.012 0.000 2.561 369 R HA 0.451 4.791 4.340 -0.000 0.000 0.297 369 R C -1.857 174.429 176.300 -0.023 0.000 0.969 369 R CA -0.330 55.761 56.100 -0.016 0.000 0.879 369 R CB 1.432 31.723 30.300 -0.016 0.000 1.178 369 R HN 0.699 nan 8.270 nan 0.000 0.445 370 C N 5.413 124.696 119.300 -0.028 0.000 2.322 370 C HA 0.644 5.104 4.460 -0.000 0.000 0.324 370 C C -0.813 174.151 174.990 -0.043 0.000 1.249 370 C CA -0.411 58.582 59.018 -0.041 0.000 1.453 370 C CB 0.534 28.244 27.740 -0.051 0.000 2.145 370 C HN 0.609 nan 8.230 nan 0.000 0.466 371 V N 6.898 126.783 119.914 -0.048 0.000 2.394 371 V HA 0.535 4.655 4.120 -0.000 0.000 0.282 371 V C 0.161 176.219 176.094 -0.060 0.000 1.031 371 V CA -0.260 62.013 62.300 -0.046 0.000 0.881 371 V CB 1.431 33.229 31.823 -0.043 0.000 0.982 371 V HN 0.742 nan 8.190 nan 0.000 0.451 372 V N 6.600 126.483 119.914 -0.052 0.000 2.715 372 V HA 0.578 4.698 4.120 -0.000 0.000 0.310 372 V C -0.393 175.678 176.094 -0.039 0.000 1.054 372 V CA -0.604 61.658 62.300 -0.064 0.000 0.928 372 V CB 2.139 33.921 31.823 -0.068 0.000 1.007 372 V HN 0.747 nan 8.190 nan 0.000 0.437 373 I N 6.386 126.926 120.570 -0.050 0.000 2.339 373 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 373 I C -0.662 175.460 176.117 0.008 0.000 0.994 373 I CA -0.391 60.894 61.300 -0.026 0.000 1.191 373 I CB 1.360 39.323 38.000 -0.062 0.000 1.343 373 I HN 0.325 nan 8.210 nan 0.000 0.458 374 L N 8.527 129.798 121.223 0.079 0.000 2.277 374 L HA 0.334 4.674 4.340 -0.000 0.000 0.284 374 L C -1.863 175.124 176.870 0.195 0.000 1.028 374 L CA -1.535 53.396 54.840 0.152 0.000 0.835 374 L CB 1.142 43.380 42.059 0.297 0.000 1.215 374 L HN 0.319 nan 8.230 nan 0.000 0.425 375 P HA -0.124 nan 4.420 nan 0.000 0.215 375 P C -0.420 176.997 177.300 0.195 0.000 1.157 375 P CA 1.254 64.434 63.100 0.133 0.000 0.863 375 P CB 0.201 31.951 31.700 0.084 0.000 0.787 376 D N -3.082 117.457 120.400 0.232 0.000 2.664 376 D HA 0.253 4.893 4.640 -0.000 0.000 0.292 376 D C -0.662 175.760 176.300 0.204 0.000 1.214 376 D CA -0.773 53.376 54.000 0.247 0.000 0.932 376 D CB 0.261 41.187 40.800 0.209 0.000 1.420 376 D HN -0.045 nan 8.370 nan 0.000 0.471 377 S N -1.092 114.699 115.700 0.152 0.000 2.669 377 S HA 0.373 4.843 4.470 -0.000 0.000 0.270 377 S C 1.521 176.191 174.600 0.117 0.000 1.225 377 S CA -0.102 58.099 58.200 0.002 0.000 0.991 377 S CB 0.976 64.174 63.200 -0.004 0.000 0.987 377 S HN 0.959 nan 8.310 nan 0.000 0.552 378 V N -0.705 119.234 119.914 0.041 0.000 2.970 378 V HA 0.012 4.132 4.120 -0.000 0.000 0.260 378 V C 2.520 178.622 176.094 0.013 0.000 1.100 378 V CA 1.416 63.794 62.300 0.130 0.000 1.122 378 V CB -1.368 30.425 31.823 -0.050 0.000 0.721 378 V HN 0.951 nan 8.190 nan 0.000 0.483 379 R N 1.196 121.661 120.500 -0.059 0.000 2.134 379 R HA -0.250 4.090 4.340 -0.000 0.000 0.248 379 R C 1.871 178.041 176.300 -0.216 0.000 1.143 379 R CA 2.405 58.434 56.100 -0.118 0.000 0.957 379 R CB -0.364 29.881 30.300 -0.091 0.000 0.867 379 R HN 0.568 nan 8.270 nan 0.000 0.441 380 N N -0.633 117.836 118.700 -0.386 0.000 2.571 380 N HA -0.085 4.655 4.740 -0.000 0.000 0.189 380 N C -0.336 174.685 175.510 -0.815 0.000 1.154 380 N CA 0.775 53.439 53.050 -0.644 0.000 0.907 380 N CB 0.239 38.220 38.487 -0.843 0.000 0.977 380 N HN 0.378 nan 8.380 nan 0.000 0.449 381 Y N -1.362 118.843 120.300 -0.158 0.000 2.715 381 Y HA 0.293 4.843 4.550 -0.000 0.000 0.255 381 Y C 1.286 176.915 175.900 -0.451 0.000 1.139 381 Y CA -0.504 57.414 58.100 -0.305 0.000 1.151 381 Y CB 0.134 38.433 38.460 -0.268 0.000 1.201 381 Y HN -0.125 nan 8.280 nan 0.000 0.556 382 M N 0.089 119.548 119.600 -0.234 0.000 2.106 382 M HA -0.160 4.320 4.480 -0.000 0.000 0.259 382 M C 1.863 178.019 176.300 -0.240 0.000 1.068 382 M CA 2.125 57.289 55.300 -0.228 0.000 1.100 382 M CB -1.485 31.021 32.600 -0.157 0.000 1.351 382 M HN 0.428 nan 8.290 nan 0.000 0.404 383 T N -3.076 111.342 114.554 -0.227 0.000 3.206 383 T HA 0.225 4.575 4.350 -0.000 0.000 0.253 383 T C 1.000 175.471 174.700 -0.382 0.000 1.042 383 T CA -0.166 61.814 62.100 -0.201 0.000 0.931 383 T CB 0.580 69.386 68.868 -0.104 0.000 1.029 383 T HN 0.269 nan 8.240 nan 0.000 0.564 384 K N 0.339 120.354 120.400 -0.641 0.000 4.485 384 K HA 0.391 4.711 4.320 -0.000 0.000 0.264 384 K C 1.182 177.124 176.600 -1.097 0.000 1.023 384 K CA -0.136 55.282 56.287 -1.449 0.000 1.902 384 K CB -0.320 31.381 32.500 -1.331 0.000 3.087 384 K HN 0.166 nan 8.250 nan 0.000 0.774 385 F N 1.361 120.616 119.950 -1.158 0.000 2.373 385 F HA -0.063 4.464 4.527 0.000 0.000 0.300 385 F C 1.389 177.050 175.800 -0.231 0.000 1.080 385 F CA 0.882 58.502 58.000 -0.632 0.000 1.417 385 F CB -0.206 38.289 39.000 -0.841 0.000 1.070 385 F HN 0.068 nan 8.300 nan 0.000 0.546 386 L N 0.334 121.003 121.223 -0.923 0.000 2.599 386 L HA 0.222 4.562 4.340 -0.000 0.000 0.230 386 L C 0.228 176.945 176.870 -0.254 0.000 1.141 386 L CA 0.621 55.080 54.840 -0.635 0.000 0.877 386 L CB -0.729 40.903 42.059 -0.712 0.000 1.009 386 L HN 0.353 nan 8.230 nan 0.000 0.447 387 S N -0.660 114.947 115.700 -0.155 0.000 2.519 387 S HA 0.237 4.707 4.470 -0.000 0.000 0.309 387 S C 0.545 175.211 174.600 0.110 0.000 1.100 387 S CA -0.701 57.491 58.200 -0.013 0.000 1.059 387 S CB 1.295 64.494 63.200 -0.002 0.000 1.008 387 S HN 0.182 nan 8.310 nan 0.000 0.478 388 D N 3.695 124.147 120.400 0.087 0.000 2.149 388 D HA -0.074 4.566 4.640 -0.000 0.000 0.198 388 D C 1.922 178.296 176.300 0.124 0.000 0.990 388 D CA 1.298 55.363 54.000 0.109 0.000 0.839 388 D CB 0.003 40.845 40.800 0.070 0.000 0.948 388 D HN 0.552 nan 8.370 nan 0.000 0.460 389 R N -0.587 119.979 120.500 0.109 0.000 2.094 389 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 389 R C 2.177 178.559 176.300 0.137 0.000 1.137 389 R CA 1.595 57.755 56.100 0.099 0.000 0.943 389 R CB -0.532 29.822 30.300 0.089 0.000 0.850 389 R HN 0.303 nan 8.270 nan 0.000 0.433 390 W N 0.901 122.203 121.300 0.003 0.000 2.354 390 W HA -0.192 4.468 4.660 -0.000 0.000 0.315 390 W C 2.065 178.614 176.519 0.050 0.000 1.206 390 W CA 1.310 58.664 57.345 0.014 0.000 1.290 390 W CB -0.090 29.368 29.460 -0.002 0.000 1.152 390 W HN -0.042 nan 8.180 nan 0.000 0.489 391 M N 0.174 120.025 119.600 0.418 0.000 2.106 391 M HA -0.243 4.237 4.480 -0.000 0.000 0.259 391 M C 2.062 178.420 176.300 0.096 0.000 1.068 391 M CA 1.698 57.201 55.300 0.339 0.000 1.100 391 M CB -1.768 31.033 32.600 0.335 0.000 1.351 391 M HN 0.201 nan 8.290 nan 0.000 0.404 392 L N -0.283 120.970 121.223 0.050 0.000 1.988 392 L HA -0.260 4.080 4.340 -0.000 0.000 0.207 392 L C 2.626 179.427 176.870 -0.115 0.000 1.071 392 L CA 1.634 56.465 54.840 -0.015 0.000 0.744 392 L CB -0.892 41.172 42.059 0.007 0.000 0.893 392 L HN 0.326 nan 8.230 nan 0.000 0.433 393 Q N 0.252 119.965 119.800 -0.144 0.000 2.181 393 Q HA -0.204 4.136 4.340 -0.000 0.000 0.205 393 Q C 1.712 177.505 176.000 -0.346 0.000 0.980 393 Q CA 1.559 57.239 55.803 -0.205 0.000 0.862 393 Q CB -0.189 28.443 28.738 -0.176 0.000 0.905 393 Q HN 0.180 nan 8.270 nan 0.000 0.429 394 K N -0.077 119.999 120.400 -0.539 0.000 2.459 394 K HA 0.165 4.485 4.320 -0.000 0.000 0.193 394 K C 0.877 176.967 176.600 -0.849 0.000 1.030 394 K CA 0.720 56.522 56.287 -0.809 0.000 1.026 394 K CB -0.007 31.749 32.500 -1.241 0.000 0.809 394 K HN 0.490 nan 8.250 nan 0.000 0.504 395 G N 1.401 109.904 108.800 -0.494 0.000 2.225 395 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.264 395 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.264 395 G C 0.475 175.214 174.900 -0.270 0.000 1.060 395 G CA 0.176 45.078 45.100 -0.331 0.000 0.833 395 G HN 0.384 nan 8.290 nan 0.000 0.498 396 F N -1.575 118.379 119.950 0.006 0.000 2.622 396 F HA 0.481 5.008 4.527 -0.000 0.000 0.288 396 F C 1.506 177.360 175.800 0.091 0.000 1.120 396 F CA -0.209 57.845 58.000 0.090 0.000 1.423 396 F CB 0.370 39.477 39.000 0.180 0.000 1.127 396 F HN 0.288 nan 8.300 nan 0.000 0.588 397 L N 0.000 121.362 121.223 0.231 0.000 2.949 397 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 397 L CA 0.000 54.936 54.840 0.160 0.000 0.813 397 L CB 0.000 42.162 42.059 0.171 0.000 0.961 397 L HN 0.000 nan 8.230 nan 0.000 0.502