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 1gq7_1_A DATA FIRST_RESID 9 DATA SEQUENCE SPRYAQIPTF MRLPHDPQPR GYDVVVIGAP YDGGTSYRPG ARFGPQAIRS DATA SEQUENCE ESGLIHGVGI DRGPGTFDLI NCVDAGDINL TPFDMNIAID TAQSHLSGLL DATA SEQUENCE KANAAFLMIG GDHSLTVAAL RAVAEQHGPL AVVHLDAHSD TNPAFYGGRY DATA SEQUENCE HHGTPFRHGI DEKLIDPAAM VQIGIRGHNP KPDSLDYARG HGVRVVTADE DATA SEQUENCE FGELGVGGTA DLIREKVGQR PVYVSVDIDV VDPAFAPGTG TPAPGGLLSR DATA SEQUENCE EVLALLRCVG DLKPVGFDVM EVSPLYDHGG ITSILATEIG AELLYQYARA DATA SEQUENCE H 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.504 174.600 -0.161 0.000 1.055 9 S CA 0.000 58.141 58.200 -0.099 0.000 1.107 9 S CB 0.000 63.154 63.200 -0.077 0.000 0.593 10 P HA 0.189 nan 4.420 nan 0.000 0.265 10 P C 0.216 177.228 177.300 -0.479 0.000 1.187 10 P CA -0.168 62.625 63.100 -0.512 0.000 0.766 10 P CB 0.698 31.803 31.700 -0.991 0.000 0.820 11 R N 1.187 121.481 120.500 -0.344 0.000 2.280 11 R HA -0.073 4.268 4.340 0.001 0.000 0.207 11 R C 1.372 177.612 176.300 -0.100 0.000 1.043 11 R CA 1.029 57.044 56.100 -0.140 0.000 1.006 11 R CB -0.447 29.859 30.300 0.011 0.000 0.885 11 R HN 0.660 nan 8.270 nan 0.000 0.467 12 Y N -2.326 117.982 120.300 0.013 0.000 2.457 12 Y HA 0.505 5.056 4.550 0.001 0.000 0.263 12 Y C 0.456 176.359 175.900 0.004 0.000 1.164 12 Y CA -1.155 56.949 58.100 0.006 0.000 1.274 12 Y CB -0.115 38.347 38.460 0.003 0.000 1.097 12 Y HN -0.161 nan 8.280 nan 0.000 0.523 13 A N 0.673 123.391 122.820 -0.170 0.000 2.295 13 A HA 0.718 5.038 4.320 0.001 0.000 0.318 13 A C -0.489 177.076 177.584 -0.032 0.000 1.134 13 A CA -0.501 51.497 52.037 -0.065 0.000 0.827 13 A CB 0.518 19.423 19.000 -0.159 0.000 1.136 13 A HN 0.341 nan 8.150 nan 0.000 0.493 14 Q N -0.675 119.124 119.800 -0.002 0.000 3.236 14 Q HA -0.128 4.212 4.340 0.001 0.000 0.024 14 Q C -0.505 175.498 176.000 0.004 0.000 1.713 14 Q CA 0.241 56.042 55.803 -0.003 0.000 0.236 14 Q CB -0.839 27.890 28.738 -0.015 0.000 0.735 14 Q HN 0.781 nan 8.270 nan 0.000 0.322 15 I N 3.022 123.591 120.570 -0.002 0.000 2.741 15 I HA 0.023 4.193 4.170 0.001 0.000 0.288 15 I C -1.177 174.931 176.117 -0.016 0.000 1.192 15 I CA -0.880 60.412 61.300 -0.012 0.000 1.426 15 I CB -0.874 37.108 38.000 -0.031 0.000 1.367 15 I HN 0.400 nan 8.210 nan 0.000 0.563 16 P HA 0.163 nan 4.420 nan 0.000 0.271 16 P C -0.380 176.917 177.300 -0.004 0.000 1.226 16 P CA -0.048 63.054 63.100 0.003 0.000 0.765 16 P CB 0.642 32.355 31.700 0.021 0.000 0.835 17 T N -0.107 114.454 114.554 0.012 0.000 2.916 17 T HA 0.424 4.775 4.350 0.001 0.000 0.292 17 T C -0.306 174.453 174.700 0.099 0.000 1.064 17 T CA -0.899 61.227 62.100 0.042 0.000 1.011 17 T CB 0.869 69.756 68.868 0.032 0.000 1.152 17 T HN 0.151 nan 8.240 nan 0.000 0.510 18 F N 3.185 123.140 119.950 0.010 0.000 2.557 18 F HA 0.271 4.799 4.527 0.001 0.000 0.384 18 F C 1.435 177.270 175.800 0.060 0.000 1.057 18 F CA -0.233 57.789 58.000 0.036 0.000 1.169 18 F CB -0.606 38.419 39.000 0.042 0.000 1.070 18 F HN 0.768 nan 8.300 nan 0.000 0.554 19 M N 5.338 124.648 119.600 -0.483 0.000 2.682 19 M HA -0.384 4.097 4.480 0.001 0.000 0.196 19 M C 0.740 177.012 176.300 -0.046 0.000 0.542 19 M CA 1.056 56.187 55.300 -0.282 0.000 0.593 19 M CB -1.343 31.110 32.600 -0.246 0.000 2.183 19 M HN 0.778 nan 8.290 nan 0.000 0.663 20 R N -1.903 118.573 120.500 -0.040 0.000 3.641 20 R HA -0.170 4.170 4.340 0.001 0.000 0.286 20 R C -0.224 176.051 176.300 -0.043 0.000 1.153 20 R CA 0.740 56.832 56.100 -0.014 0.000 0.775 20 R CB -2.074 28.231 30.300 0.009 0.000 1.215 20 R HN 0.552 nan 8.270 nan 0.000 0.474 21 L N 0.638 121.816 121.223 -0.074 0.000 2.472 21 L HA 0.235 4.576 4.340 0.001 0.000 0.260 21 L C -1.512 175.320 176.870 -0.062 0.000 1.209 21 L CA -1.714 53.028 54.840 -0.163 0.000 0.817 21 L CB 0.185 42.128 42.059 -0.194 0.000 1.106 21 L HN -0.187 nan 8.230 nan 0.000 0.479 22 P HA 0.037 nan 4.420 nan 0.000 0.270 22 P C -1.291 176.032 177.300 0.038 0.000 1.223 22 P CA -0.004 63.097 63.100 0.001 0.000 0.785 22 P CB 0.401 32.105 31.700 0.007 0.000 0.923 23 H N 1.201 120.249 119.070 -0.038 0.000 2.457 23 H HA 0.542 5.099 4.556 0.001 0.000 0.335 23 H C -1.166 174.141 175.328 -0.036 0.000 1.115 23 H CA -0.261 55.764 56.048 -0.038 0.000 1.219 23 H CB 0.712 30.465 29.762 -0.015 0.000 1.471 23 H HN 0.148 nan 8.280 nan 0.000 0.491 24 D N 6.138 126.179 120.400 -0.599 0.000 2.333 24 D HA 0.101 4.741 4.640 0.001 0.000 0.225 24 D C -2.230 173.819 176.300 -0.418 0.000 1.345 24 D CA -1.437 52.289 54.000 -0.457 0.000 0.971 24 D CB 1.819 42.491 40.800 -0.213 0.000 1.451 24 D HN 0.383 nan 8.370 nan 0.000 0.561 25 P HA -0.080 nan 4.420 nan 0.000 0.222 25 P C 0.381 177.636 177.300 -0.075 0.000 1.147 25 P CA 1.060 64.062 63.100 -0.165 0.000 0.790 25 P CB 0.338 31.983 31.700 -0.091 0.000 0.780 26 Q N 0.687 120.436 119.800 -0.086 0.000 2.943 26 Q HA 0.393 4.733 4.340 0.001 0.000 0.327 26 Q C -2.488 173.505 176.000 -0.011 0.000 0.937 26 Q CA -1.847 53.928 55.803 -0.046 0.000 0.914 26 Q CB -0.173 28.541 28.738 -0.041 0.000 1.339 26 Q HN 0.314 nan 8.270 nan 0.000 0.417 27 P HA 0.578 nan 4.420 nan 0.000 0.268 27 P C -0.287 177.120 177.300 0.178 0.000 1.205 27 P CA 0.328 63.474 63.100 0.076 0.000 0.771 27 P CB 0.911 32.546 31.700 -0.107 0.000 0.858 28 R N 0.407 121.093 120.500 0.310 0.000 2.522 28 R HA 0.596 4.937 4.340 0.001 0.000 0.283 28 R C 0.649 177.006 176.300 0.095 0.000 1.074 28 R CA -0.130 56.072 56.100 0.170 0.000 0.925 28 R CB 0.367 30.711 30.300 0.074 0.000 1.205 28 R HN 0.845 nan 8.270 nan 0.000 0.436 29 G N 0.141 108.977 108.800 0.060 0.000 2.175 29 G HA2 -0.200 3.760 3.960 0.001 0.000 0.244 29 G HA3 -0.200 3.760 3.960 0.001 0.000 0.244 29 G C -0.120 174.705 174.900 -0.125 0.000 0.982 29 G CA 0.456 45.513 45.100 -0.072 0.000 0.641 29 G HN 0.924 nan 8.290 nan 0.000 0.527 30 Y N 0.767 121.085 120.300 0.030 0.000 2.374 30 Y HA 0.489 5.039 4.550 0.001 0.000 0.322 30 Y C 1.529 177.457 175.900 0.048 0.000 1.275 30 Y CA -0.355 57.769 58.100 0.040 0.000 1.307 30 Y CB 0.652 39.134 38.460 0.036 0.000 1.282 30 Y HN -0.016 nan 8.280 nan 0.000 0.509 31 D N 0.080 120.620 120.400 0.233 0.000 2.120 31 D HA 0.013 4.653 4.640 0.001 0.000 0.202 31 D C -0.406 175.916 176.300 0.037 0.000 0.972 31 D CA 1.413 55.514 54.000 0.169 0.000 0.837 31 D CB 0.269 41.215 40.800 0.243 0.000 0.989 31 D HN 0.140 nan 8.370 nan 0.000 0.469 32 V N 1.677 121.616 119.914 0.041 0.000 2.577 32 V HA 0.265 4.386 4.120 0.001 0.000 0.303 32 V C -0.188 175.938 176.094 0.052 0.000 1.042 32 V CA -0.811 61.465 62.300 -0.040 0.000 0.872 32 V CB 2.631 34.378 31.823 -0.127 0.000 0.998 32 V HN -0.220 nan 8.190 nan 0.000 0.423 33 V N 5.144 125.100 119.914 0.070 0.000 2.394 33 V HA 0.422 4.543 4.120 0.001 0.000 0.282 33 V C 0.017 176.151 176.094 0.065 0.000 1.031 33 V CA -0.656 61.662 62.300 0.030 0.000 0.881 33 V CB 1.897 33.748 31.823 0.047 0.000 0.982 33 V HN 0.627 nan 8.190 nan 0.000 0.451 34 V N 6.503 126.421 119.914 0.006 0.000 2.406 34 V HA 0.425 4.546 4.120 0.001 0.000 0.272 34 V C -0.168 175.891 176.094 -0.057 0.000 1.043 34 V CA -0.193 62.082 62.300 -0.042 0.000 0.915 34 V CB 1.206 32.980 31.823 -0.081 0.000 0.988 34 V HN 0.699 nan 8.190 nan 0.000 0.466 35 I N 4.256 124.774 120.570 -0.088 0.000 2.498 35 I HA 0.801 4.971 4.170 0.001 0.000 0.290 35 I C 0.457 176.476 176.117 -0.162 0.000 1.032 35 I CA 0.036 61.254 61.300 -0.136 0.000 1.073 35 I CB 1.805 39.676 38.000 -0.215 0.000 1.251 35 I HN 0.621 nan 8.210 nan 0.000 0.426 36 G N 5.431 114.143 108.800 -0.147 0.000 2.377 36 G HA2 0.644 4.605 3.960 0.001 0.000 0.299 36 G HA3 0.644 4.605 3.960 0.001 0.000 0.299 36 G C -0.964 173.840 174.900 -0.159 0.000 1.150 36 G CA -0.350 44.676 45.100 -0.124 0.000 0.847 36 G HN 0.957 nan 8.290 nan 0.000 0.501 37 A N 3.756 126.504 122.820 -0.119 0.000 2.978 37 A HA 0.622 4.943 4.320 0.001 0.000 0.341 37 A C -2.314 175.241 177.584 -0.049 0.000 1.105 37 A CA -1.306 50.662 52.037 -0.115 0.000 0.819 37 A CB 1.116 20.050 19.000 -0.110 0.000 1.080 37 A HN 0.459 nan 8.150 nan 0.000 0.476 38 P HA 0.149 nan 4.420 nan 0.000 0.256 38 P C -1.171 176.106 177.300 -0.040 0.000 1.688 38 P CA 0.528 63.581 63.100 -0.078 0.000 1.162 38 P CB -0.622 31.013 31.700 -0.109 0.000 1.870 39 Y N 2.803 122.999 120.300 -0.173 0.000 2.482 39 Y HA 0.356 4.907 4.550 0.001 0.000 0.334 39 Y C -0.893 174.928 175.900 -0.131 0.000 1.091 39 Y CA -0.876 57.121 58.100 -0.171 0.000 1.027 39 Y CB 1.977 40.345 38.460 -0.153 0.000 1.306 39 Y HN 0.106 nan 8.280 nan 0.000 0.446 40 D N 1.213 121.117 120.400 -0.827 0.000 2.636 40 D HA 0.194 4.834 4.640 0.001 0.000 0.270 40 D C 1.340 177.161 176.300 -0.799 0.000 1.430 40 D CA 0.308 53.928 54.000 -0.634 0.000 0.796 40 D CB 0.253 40.860 40.800 -0.321 0.000 1.117 40 D HN 0.746 nan 8.370 nan 0.000 0.480 41 G N 0.427 108.299 108.800 -1.548 0.000 2.535 41 G HA2 -0.035 3.926 3.960 0.001 0.000 0.218 41 G HA3 -0.035 3.926 3.960 0.001 0.000 0.218 41 G C 1.289 175.994 174.900 -0.324 0.000 1.122 41 G CA 0.531 45.158 45.100 -0.788 0.000 0.769 41 G HN 0.431 nan 8.290 nan 0.000 0.549 42 G N -0.017 108.599 108.800 -0.307 0.000 2.986 42 G HA2 0.219 4.180 3.960 0.001 0.000 0.213 42 G HA3 0.219 4.180 3.960 0.001 0.000 0.213 42 G C 0.920 175.609 174.900 -0.352 0.000 1.156 42 G CA 0.577 45.629 45.100 -0.079 0.000 0.763 42 G HN 0.510 nan 8.290 nan 0.000 0.547 43 T N -0.277 113.994 114.554 -0.473 0.000 2.888 43 T HA 0.328 4.679 4.350 0.001 0.000 0.301 43 T C 1.456 175.903 174.700 -0.421 0.000 1.001 43 T CA 0.416 62.097 62.100 -0.697 0.000 1.147 43 T CB 1.638 70.321 68.868 -0.307 0.000 0.931 43 T HN 0.163 nan 8.240 nan 0.000 0.541 44 S N 1.609 117.098 115.700 -0.351 0.000 2.503 44 S HA 0.116 4.587 4.470 0.001 0.000 0.215 44 S C 0.844 175.534 174.600 0.149 0.000 1.003 44 S CA -0.433 57.785 58.200 0.029 0.000 0.910 44 S CB -0.460 62.864 63.200 0.207 0.000 0.790 44 S HN 0.805 nan 8.310 nan 0.000 0.514 45 Y N 1.856 122.146 120.300 -0.017 0.000 3.057 45 Y HA 0.503 5.054 4.550 0.001 0.000 0.148 45 Y C 0.029 175.911 175.900 -0.030 0.000 0.877 45 Y CA -0.764 57.329 58.100 -0.011 0.000 1.833 45 Y CB 0.101 38.561 38.460 0.001 0.000 1.278 45 Y HN -0.023 nan 8.280 nan 0.000 0.357 46 R N 2.787 123.285 120.500 -0.004 0.000 2.298 46 R HA 0.269 4.610 4.340 0.001 0.000 0.310 46 R C -2.401 173.886 176.300 -0.020 0.000 1.068 46 R CA -1.662 54.376 56.100 -0.104 0.000 0.957 46 R CB 0.529 30.636 30.300 -0.322 0.000 1.003 46 R HN 0.255 nan 8.270 nan 0.000 0.454 47 P HA 0.263 nan 4.420 nan 0.000 0.306 47 P C 0.235 177.604 177.300 0.114 0.000 1.309 47 P CA -0.164 62.939 63.100 0.006 0.000 0.759 47 P CB 0.984 32.670 31.700 -0.022 0.000 1.314 48 G N -1.811 107.032 108.800 0.071 0.000 2.253 48 G HA2 -0.214 3.747 3.960 0.001 0.000 0.209 48 G HA3 -0.214 3.747 3.960 0.001 0.000 0.209 48 G C 1.123 176.098 174.900 0.124 0.000 0.997 48 G CA 0.521 45.730 45.100 0.183 0.000 0.640 48 G HN 0.676 nan 8.290 nan 0.000 0.496 49 A N 1.193 124.033 122.820 0.034 0.000 2.178 49 A HA 0.121 4.442 4.320 0.001 0.000 0.218 49 A C 2.186 179.733 177.584 -0.061 0.000 1.157 49 A CA 2.111 54.160 52.037 0.019 0.000 0.689 49 A CB -0.555 18.449 19.000 0.007 0.000 0.787 49 A HN 1.006 nan 8.150 nan 0.000 0.465 50 R N -1.823 118.554 120.500 -0.205 0.000 2.237 50 R HA -0.037 4.303 4.340 0.001 0.000 0.219 50 R C 0.647 176.694 176.300 -0.421 0.000 1.080 50 R CA 1.484 57.371 56.100 -0.355 0.000 0.995 50 R CB -0.494 29.479 30.300 -0.546 0.000 0.875 50 R HN 0.395 nan 8.270 nan 0.000 0.462 51 F N 0.944 120.893 119.950 -0.001 0.000 2.727 51 F HA 0.383 4.911 4.527 0.001 0.000 0.302 51 F C 2.279 178.090 175.800 0.019 0.000 1.097 51 F CA 0.053 58.056 58.000 0.005 0.000 1.330 51 F CB 0.128 39.131 39.000 0.005 0.000 1.084 51 F HN 0.126 nan 8.300 nan 0.000 0.578 52 G N 1.810 110.690 108.800 0.134 0.000 2.491 52 G HA2 -0.236 3.724 3.960 0.001 0.000 0.218 52 G HA3 -0.236 3.724 3.960 0.001 0.000 0.218 52 G C -0.525 174.431 174.900 0.093 0.000 1.180 52 G CA 0.878 46.043 45.100 0.109 0.000 0.774 52 G HN 0.213 nan 8.290 nan 0.000 0.562 53 P HA -0.138 nan 4.420 nan 0.000 0.216 53 P C 1.854 179.203 177.300 0.082 0.000 1.153 53 P CA 1.701 64.830 63.100 0.048 0.000 0.858 53 P CB -0.077 31.625 31.700 0.004 0.000 0.789 54 Q N -0.566 119.293 119.800 0.098 0.000 2.050 54 Q HA -0.174 4.166 4.340 0.001 0.000 0.202 54 Q C 2.052 178.113 176.000 0.102 0.000 0.980 54 Q CA 1.940 57.806 55.803 0.106 0.000 0.840 54 Q CB -0.685 28.146 28.738 0.154 0.000 0.898 54 Q HN 0.096 nan 8.270 nan 0.000 0.424 55 A N 0.654 123.543 122.820 0.115 0.000 1.898 55 A HA -0.145 4.176 4.320 0.001 0.000 0.216 55 A C 2.006 179.648 177.584 0.096 0.000 1.181 55 A CA 1.273 53.365 52.037 0.092 0.000 0.620 55 A CB -0.654 18.403 19.000 0.096 0.000 0.819 55 A HN 0.491 nan 8.150 nan 0.000 0.442 56 I N -0.877 119.766 120.570 0.121 0.000 2.226 56 I HA -0.278 3.892 4.170 0.001 0.000 0.245 56 I C 2.803 179.029 176.117 0.182 0.000 1.100 56 I CA 1.353 62.748 61.300 0.158 0.000 1.374 56 I CB -0.332 37.780 38.000 0.187 0.000 1.057 56 I HN 0.299 nan 8.210 nan 0.000 0.413 57 R N -0.031 120.576 120.500 0.179 0.000 2.081 57 R HA -0.159 4.182 4.340 0.001 0.000 0.235 57 R C 2.561 178.910 176.300 0.081 0.000 1.131 57 R CA 1.646 57.843 56.100 0.162 0.000 0.960 57 R CB -0.496 29.881 30.300 0.129 0.000 0.856 57 R HN 0.277 nan 8.270 nan 0.000 0.436 58 S N 0.743 116.485 115.700 0.070 0.000 2.359 58 S HA -0.155 4.316 4.470 0.001 0.000 0.224 58 S C 1.656 176.281 174.600 0.041 0.000 1.035 58 S CA 1.321 59.551 58.200 0.050 0.000 1.018 58 S CB -0.000 63.226 63.200 0.044 0.000 0.876 58 S HN 0.255 nan 8.310 nan 0.000 0.448 59 E N 1.014 121.238 120.200 0.040 0.000 2.371 59 E HA 0.031 4.382 4.350 0.001 0.000 0.194 59 E C 2.125 178.720 176.600 -0.007 0.000 1.012 59 E CA 0.765 57.179 56.400 0.024 0.000 0.860 59 E CB -0.315 29.403 29.700 0.030 0.000 0.811 59 E HN 0.752 nan 8.360 nan 0.000 0.502 60 S N 0.128 115.811 115.700 -0.028 0.000 2.537 60 S HA -0.049 4.421 4.470 0.001 0.000 0.240 60 S C 2.004 176.531 174.600 -0.122 0.000 0.981 60 S CA 0.799 58.918 58.200 -0.134 0.000 0.948 60 S CB -0.508 62.520 63.200 -0.286 0.000 0.759 60 S HN 0.246 nan 8.310 nan 0.000 0.531 61 G N 1.774 110.547 108.800 -0.045 0.000 2.448 61 G HA2 -0.053 3.908 3.960 0.001 0.000 0.219 61 G HA3 -0.053 3.908 3.960 0.001 0.000 0.219 61 G C 1.247 176.134 174.900 -0.022 0.000 1.127 61 G CA 0.751 45.845 45.100 -0.009 0.000 0.766 61 G HN 0.580 nan 8.290 nan 0.000 0.552 62 L N 0.329 121.510 121.223 -0.069 0.000 2.395 62 L HA 0.194 4.535 4.340 0.001 0.000 0.218 62 L C 0.304 176.966 176.870 -0.347 0.000 1.130 62 L CA 0.088 54.847 54.840 -0.134 0.000 0.826 62 L CB -0.007 42.004 42.059 -0.081 0.000 0.941 62 L HN 0.068 nan 8.230 nan 0.000 0.451 63 I N -0.295 120.088 120.570 -0.313 0.000 2.339 63 I HA 0.269 4.440 4.170 0.001 0.000 0.290 63 I C 0.132 176.062 176.117 -0.312 0.000 0.994 63 I CA -0.377 60.702 61.300 -0.369 0.000 1.191 63 I CB 0.679 38.540 38.000 -0.232 0.000 1.343 63 I HN 0.031 nan 8.210 nan 0.000 0.458 64 H N 3.910 122.945 119.070 -0.058 0.000 2.669 64 H HA 0.457 5.014 4.556 0.001 0.000 0.318 64 H C 1.046 176.299 175.328 -0.126 0.000 1.429 64 H CA -0.675 55.355 56.048 -0.030 0.000 1.460 64 H CB 0.625 30.375 29.762 -0.020 0.000 1.784 64 H HN 0.646 nan 8.280 nan 0.000 0.750 65 G N -0.123 108.643 108.800 -0.057 0.000 2.744 65 G HA2 0.059 4.020 3.960 0.001 0.000 0.211 65 G HA3 0.059 4.020 3.960 0.001 0.000 0.211 65 G C 0.117 174.886 174.900 -0.218 0.000 1.146 65 G CA -0.034 44.813 45.100 -0.421 0.000 0.787 65 G HN 0.287 nan 8.290 nan 0.000 0.534 66 V N 2.343 122.213 119.914 -0.073 0.000 2.397 66 V HA 0.424 4.545 4.120 0.001 0.000 0.262 66 V C 1.462 177.502 176.094 -0.090 0.000 1.047 66 V CA -0.148 62.115 62.300 -0.062 0.000 1.003 66 V CB 0.078 31.895 31.823 -0.009 0.000 1.037 66 V HN 0.234 nan 8.190 nan 0.000 0.480 67 G N 5.082 113.771 108.800 -0.185 0.000 2.608 67 G HA2 0.426 4.387 3.960 0.001 0.000 0.212 67 G HA3 0.426 4.387 3.960 0.001 0.000 0.212 67 G C -0.119 174.705 174.900 -0.126 0.000 1.572 67 G CA -0.509 44.468 45.100 -0.205 0.000 1.064 67 G HN 0.564 nan 8.290 nan 0.000 0.556 68 I N -0.044 120.449 120.570 -0.128 0.000 2.447 68 I HA 0.242 4.413 4.170 0.001 0.000 0.287 68 I C -0.764 175.309 176.117 -0.073 0.000 1.023 68 I CA -0.343 60.911 61.300 -0.078 0.000 1.083 68 I CB 2.105 40.070 38.000 -0.059 0.000 1.245 68 I HN 0.416 nan 8.210 nan 0.000 0.434 69 D N 2.366 122.736 120.400 -0.050 0.000 3.012 69 D HA -0.199 4.441 4.640 0.001 0.000 0.222 69 D C 0.496 176.774 176.300 -0.038 0.000 1.167 69 D CA 1.393 55.373 54.000 -0.034 0.000 0.854 69 D CB -0.942 39.842 40.800 -0.027 0.000 1.107 69 D HN 0.754 nan 8.370 nan 0.000 0.421 70 R N 0.558 121.017 120.500 -0.068 0.000 2.603 70 R HA 0.835 5.176 4.340 0.001 0.000 0.225 70 R C 1.446 177.746 176.300 0.001 0.000 1.300 70 R CA 0.194 56.253 56.100 -0.069 0.000 1.075 70 R CB -0.541 29.600 30.300 -0.266 0.000 1.663 70 R HN 0.115 nan 8.270 nan 0.000 0.546 71 G N -0.460 108.385 108.800 0.075 0.000 2.608 71 G HA2 0.271 4.232 3.960 0.001 0.000 0.212 71 G HA3 0.271 4.232 3.960 0.001 0.000 0.212 71 G C -1.245 173.690 174.900 0.057 0.000 1.572 71 G CA 0.375 45.526 45.100 0.086 0.000 1.064 71 G HN 0.553 nan 8.290 nan 0.000 0.556 72 P HA 0.234 nan 4.420 nan 0.000 0.233 72 P C 0.345 177.677 177.300 0.054 0.000 1.167 72 P CA 1.292 64.425 63.100 0.056 0.000 0.770 72 P CB 0.238 31.976 31.700 0.064 0.000 0.837 73 G N -1.707 107.133 108.800 0.067 0.000 2.885 73 G HA2 -0.142 3.819 3.960 0.001 0.000 0.685 73 G HA3 -0.142 3.819 3.960 0.001 0.000 0.685 73 G C 0.697 175.634 174.900 0.063 0.000 1.216 73 G CA -0.331 44.785 45.100 0.026 0.000 0.790 73 G HN -0.079 nan 8.290 nan 0.000 0.631 74 T N 1.954 116.512 114.554 0.006 0.000 2.649 74 T HA -0.225 4.126 4.350 0.001 0.000 0.268 74 T C 1.997 176.736 174.700 0.066 0.000 1.036 74 T CA 2.574 64.677 62.100 0.006 0.000 1.157 74 T CB -0.259 68.465 68.868 -0.239 0.000 0.861 74 T HN 0.500 nan 8.240 nan 0.000 0.445 75 F N 1.449 121.487 119.950 0.148 0.000 2.771 75 F HA 0.110 4.638 4.527 0.001 0.000 0.299 75 F C 1.835 177.701 175.800 0.110 0.000 1.177 75 F CA -0.396 57.681 58.000 0.128 0.000 1.450 75 F CB -0.480 38.585 39.000 0.109 0.000 1.114 75 F HN 0.186 nan 8.300 nan 0.000 0.587 76 D N -0.842 119.704 120.400 0.243 0.000 2.389 76 D HA 0.143 4.783 4.640 0.001 0.000 0.206 76 D C 2.230 178.619 176.300 0.147 0.000 1.055 76 D CA 0.412 54.514 54.000 0.170 0.000 0.856 76 D CB 0.427 41.301 40.800 0.123 0.000 0.957 76 D HN 0.280 nan 8.370 nan 0.000 0.509 77 L N 0.421 121.742 121.223 0.164 0.000 2.253 77 L HA 0.241 4.581 4.340 0.001 0.000 0.205 77 L C 1.153 178.123 176.870 0.166 0.000 1.078 77 L CA 0.547 55.470 54.840 0.139 0.000 0.805 77 L CB 0.109 42.240 42.059 0.119 0.000 0.963 77 L HN -0.061 nan 8.230 nan 0.000 0.459 78 I N -3.792 116.914 120.570 0.227 0.000 3.042 78 I HA 0.380 4.551 4.170 0.001 0.000 0.310 78 I C -1.274 175.008 176.117 0.275 0.000 1.117 78 I CA -0.894 60.558 61.300 0.254 0.000 1.003 78 I CB 2.127 40.320 38.000 0.321 0.000 1.228 78 I HN -0.095 nan 8.210 nan 0.000 0.443 79 N N 2.564 121.410 118.700 0.243 0.000 2.457 79 N HA 0.570 5.311 4.740 0.001 0.000 0.250 79 N C -1.209 174.513 175.510 0.354 0.000 0.982 79 N CA -0.486 52.722 53.050 0.263 0.000 0.941 79 N CB 1.359 39.941 38.487 0.158 0.000 1.120 79 N HN 0.524 nan 8.380 nan 0.000 0.505 80 C N 1.539 120.996 119.300 0.263 0.000 2.719 80 C HA 0.804 5.265 4.460 0.001 0.000 0.327 80 C C -0.058 174.881 174.990 -0.085 0.000 1.238 80 C CA -0.770 58.322 59.018 0.124 0.000 1.727 80 C CB 1.522 29.354 27.740 0.154 0.000 2.256 80 C HN 0.474 nan 8.230 nan 0.000 0.489 81 V N 0.560 120.333 119.914 -0.235 0.000 3.204 81 V HA 0.510 4.630 4.120 0.001 0.000 0.298 81 V C -1.895 174.097 176.094 -0.169 0.000 1.328 81 V CA -0.235 61.862 62.300 -0.338 0.000 1.035 81 V CB 2.234 33.531 31.823 -0.877 0.000 1.095 81 V HN 0.957 nan 8.190 nan 0.000 0.442 82 D N 3.628 123.987 120.400 -0.068 0.000 2.359 82 D HA 0.530 5.171 4.640 0.001 0.000 0.230 82 D C 0.476 176.823 176.300 0.078 0.000 1.118 82 D CA 0.268 54.297 54.000 0.049 0.000 0.844 82 D CB 1.918 42.797 40.800 0.132 0.000 1.059 82 D HN 0.789 nan 8.370 nan 0.000 0.493 83 A N 3.076 125.906 122.820 0.016 0.000 2.302 83 A HA 0.510 4.831 4.320 0.001 0.000 0.219 83 A C 1.250 178.905 177.584 0.118 0.000 1.243 83 A CA 0.636 52.679 52.037 0.010 0.000 0.856 83 A CB -0.591 18.405 19.000 -0.006 0.000 0.893 83 A HN 0.875 nan 8.150 nan 0.000 0.491 84 G N -0.354 108.563 108.800 0.194 0.000 2.553 84 G HA2 -0.156 3.805 3.960 0.001 0.000 0.242 84 G HA3 -0.156 3.805 3.960 0.001 0.000 0.242 84 G C -0.847 174.060 174.900 0.011 0.000 1.277 84 G CA 0.036 45.230 45.100 0.156 0.000 0.910 84 G HN 0.403 nan 8.290 nan 0.000 0.576 85 D N -0.347 120.040 120.400 -0.022 0.000 2.414 85 D HA 0.644 5.284 4.640 0.001 0.000 0.241 85 D C 0.363 176.541 176.300 -0.203 0.000 1.008 85 D CA -0.440 53.490 54.000 -0.117 0.000 1.001 85 D CB 1.450 42.198 40.800 -0.086 0.000 1.277 85 D HN 0.523 nan 8.370 nan 0.000 0.538 86 I N 1.391 121.760 120.570 -0.335 0.000 2.395 86 I HA 0.077 4.248 4.170 0.001 0.000 0.289 86 I C 0.534 176.547 176.117 -0.173 0.000 1.023 86 I CA -0.489 60.561 61.300 -0.417 0.000 1.350 86 I CB 0.476 38.175 38.000 -0.502 0.000 1.409 86 I HN -0.050 nan 8.210 nan 0.000 0.507 87 N N 7.869 126.525 118.700 -0.073 0.000 2.549 87 N HA 0.212 4.952 4.740 0.001 0.000 0.267 87 N C -0.774 174.682 175.510 -0.090 0.000 1.182 87 N CA 0.121 53.136 53.050 -0.058 0.000 1.019 87 N CB 0.280 38.758 38.487 -0.015 0.000 1.380 87 N HN 0.386 nan 8.380 nan 0.000 0.505 88 L N 1.037 122.187 121.223 -0.121 0.000 2.264 88 L HA 0.223 4.564 4.340 0.001 0.000 0.289 88 L C 1.237 178.041 176.870 -0.111 0.000 1.044 88 L CA -0.488 54.258 54.840 -0.158 0.000 0.807 88 L CB 1.355 43.289 42.059 -0.208 0.000 1.192 88 L HN 0.179 nan 8.230 nan 0.000 0.425 89 T N 3.962 118.447 114.554 -0.115 0.000 2.919 89 T HA 0.216 4.567 4.350 0.001 0.000 0.302 89 T C -1.436 173.195 174.700 -0.116 0.000 1.031 89 T CA -1.131 60.893 62.100 -0.128 0.000 1.127 89 T CB 0.918 69.760 68.868 -0.043 0.000 0.952 89 T HN 0.495 nan 8.240 nan 0.000 0.540 90 P HA 0.199 nan 4.420 nan 0.000 0.261 90 P C 0.434 177.545 177.300 -0.314 0.000 1.268 90 P CA 0.147 63.018 63.100 -0.382 0.000 0.833 90 P CB 0.120 31.463 31.700 -0.596 0.000 1.231 91 F N -0.125 119.857 119.950 0.053 0.000 2.731 91 F HA 0.301 4.829 4.527 0.001 0.000 0.298 91 F C 0.829 176.653 175.800 0.039 0.000 1.106 91 F CA -0.317 57.702 58.000 0.032 0.000 1.329 91 F CB 0.165 39.175 39.000 0.016 0.000 1.100 91 F HN -0.094 nan 8.300 nan 0.000 0.592 92 D N 0.339 120.854 120.400 0.192 0.000 2.478 92 D HA 0.096 4.737 4.640 0.001 0.000 0.240 92 D C 0.875 177.233 176.300 0.097 0.000 1.364 92 D CA -0.020 54.057 54.000 0.129 0.000 0.987 92 D CB 1.150 42.009 40.800 0.097 0.000 1.328 92 D HN 0.089 nan 8.370 nan 0.000 0.584 93 M N 3.991 123.669 119.600 0.130 0.000 2.110 93 M HA -0.278 4.203 4.480 0.001 0.000 0.257 93 M C 0.744 177.058 176.300 0.024 0.000 1.071 93 M CA 2.095 57.484 55.300 0.149 0.000 1.096 93 M CB -0.059 32.648 32.600 0.178 0.000 1.300 93 M HN 0.251 nan 8.290 nan 0.000 0.411 94 N N 0.455 119.195 118.700 0.067 0.000 2.120 94 N HA -0.085 4.655 4.740 0.001 0.000 0.188 94 N C 1.583 177.043 175.510 -0.083 0.000 1.024 94 N CA 1.789 54.862 53.050 0.039 0.000 0.852 94 N CB -0.384 38.163 38.487 0.100 0.000 1.003 94 N HN 0.446 nan 8.380 nan 0.000 0.424 95 I N 0.194 120.727 120.570 -0.061 0.000 2.315 95 I HA -0.202 3.968 4.170 0.001 0.000 0.248 95 I C 2.170 178.187 176.117 -0.167 0.000 1.117 95 I CA 0.785 62.035 61.300 -0.084 0.000 1.404 95 I CB -0.296 37.684 38.000 -0.034 0.000 1.071 95 I HN 0.144 nan 8.210 nan 0.000 0.419 96 A N 1.239 123.917 122.820 -0.238 0.000 1.898 96 A HA -0.154 4.167 4.320 0.001 0.000 0.216 96 A C 2.229 179.529 177.584 -0.473 0.000 1.181 96 A CA 1.243 53.030 52.037 -0.417 0.000 0.620 96 A CB -0.518 18.033 19.000 -0.748 0.000 0.819 96 A HN 0.274 nan 8.150 nan 0.000 0.442 97 I N 0.650 120.921 120.570 -0.499 0.000 2.226 97 I HA -0.200 3.971 4.170 0.001 0.000 0.245 97 I C 1.736 177.619 176.117 -0.390 0.000 1.100 97 I CA 1.558 62.532 61.300 -0.543 0.000 1.374 97 I CB -1.464 36.004 38.000 -0.886 0.000 1.057 97 I HN 0.303 nan 8.210 nan 0.000 0.413 98 D N 0.521 120.741 120.400 -0.301 0.000 2.117 98 D HA -0.119 4.521 4.640 0.001 0.000 0.198 98 D C 2.162 178.364 176.300 -0.162 0.000 0.982 98 D CA 1.509 55.389 54.000 -0.199 0.000 0.828 98 D CB -0.199 40.519 40.800 -0.136 0.000 0.967 98 D HN 0.270 nan 8.370 nan 0.000 0.464 99 T N 0.935 115.388 114.554 -0.167 0.000 2.746 99 T HA -0.114 4.237 4.350 0.001 0.000 0.267 99 T C 2.033 176.659 174.700 -0.122 0.000 1.039 99 T CA 1.448 63.474 62.100 -0.124 0.000 1.142 99 T CB -0.234 68.558 68.868 -0.128 0.000 0.866 99 T HN 0.186 nan 8.240 nan 0.000 0.444 100 A N 1.258 123.956 122.820 -0.203 0.000 1.877 100 A HA -0.190 4.131 4.320 0.001 0.000 0.216 100 A C 2.300 179.789 177.584 -0.158 0.000 1.186 100 A CA 1.923 53.832 52.037 -0.213 0.000 0.620 100 A CB -0.840 17.987 19.000 -0.289 0.000 0.822 100 A HN 0.546 nan 8.150 nan 0.000 0.443 101 Q N -0.387 119.315 119.800 -0.165 0.000 2.061 101 Q HA -0.207 4.134 4.340 0.001 0.000 0.204 101 Q C 2.371 178.330 176.000 -0.069 0.000 0.984 101 Q CA 2.186 57.917 55.803 -0.120 0.000 0.846 101 Q CB -0.269 28.390 28.738 -0.132 0.000 0.902 101 Q HN 0.644 nan 8.270 nan 0.000 0.421 102 S N -0.860 114.801 115.700 -0.066 0.000 2.359 102 S HA -0.265 4.206 4.470 0.001 0.000 0.224 102 S C 1.799 176.384 174.600 -0.026 0.000 1.035 102 S CA 1.833 60.005 58.200 -0.047 0.000 1.018 102 S CB -0.458 62.709 63.200 -0.055 0.000 0.876 102 S HN 0.680 nan 8.310 nan 0.000 0.448 103 H N 0.186 119.188 119.070 -0.112 0.000 2.357 103 H HA 0.102 4.659 4.556 0.001 0.000 0.301 103 H C 2.073 177.326 175.328 -0.125 0.000 1.082 103 H CA 1.833 57.813 56.048 -0.114 0.000 1.342 103 H CB -0.143 29.537 29.762 -0.137 0.000 1.389 103 H HN 0.340 nan 8.280 nan 0.000 0.511 104 L N -0.603 120.637 121.223 0.028 0.000 2.093 104 L HA -0.159 4.182 4.340 0.001 0.000 0.208 104 L C 2.626 179.541 176.870 0.075 0.000 1.085 104 L CA 1.078 55.865 54.840 -0.089 0.000 0.755 104 L CB -0.339 41.557 42.059 -0.272 0.000 0.904 104 L HN 0.259 nan 8.230 nan 0.000 0.435 105 S N 0.068 115.798 115.700 0.051 0.000 2.368 105 S HA -0.120 4.350 4.470 0.001 0.000 0.225 105 S C 2.052 176.675 174.600 0.039 0.000 1.030 105 S CA 1.204 59.439 58.200 0.058 0.000 0.999 105 S CB -0.529 62.679 63.200 0.013 0.000 0.844 105 S HN 0.608 nan 8.310 nan 0.000 0.459 106 G N 1.807 110.604 108.800 -0.006 0.000 2.440 106 G HA2 -0.179 3.782 3.960 0.001 0.000 0.218 106 G HA3 -0.179 3.782 3.960 0.001 0.000 0.218 106 G C 1.329 176.229 174.900 0.001 0.000 1.154 106 G CA 0.734 45.810 45.100 -0.041 0.000 0.767 106 G HN 0.439 nan 8.290 nan 0.000 0.552 107 L N -0.100 121.150 121.223 0.046 0.000 2.046 107 L HA -0.020 4.321 4.340 0.001 0.000 0.208 107 L C 2.825 179.776 176.870 0.135 0.000 1.077 107 L CA 0.640 55.541 54.840 0.102 0.000 0.747 107 L CB -0.374 41.781 42.059 0.160 0.000 0.896 107 L HN 0.185 nan 8.230 nan 0.000 0.432 108 L N 0.141 121.463 121.223 0.164 0.000 2.362 108 L HA -0.170 4.170 4.340 0.001 0.000 0.219 108 L C 3.061 179.971 176.870 0.067 0.000 1.134 108 L CA 1.005 55.926 54.840 0.136 0.000 0.807 108 L CB -0.792 41.358 42.059 0.151 0.000 0.927 108 L HN 0.264 nan 8.230 nan 0.000 0.447 109 K N 0.378 120.806 120.400 0.047 0.000 2.283 109 K HA 0.150 4.471 4.320 0.001 0.000 0.202 109 K C 1.669 178.282 176.600 0.022 0.000 1.048 109 K CA 1.367 57.665 56.287 0.019 0.000 0.948 109 K CB -0.425 32.077 32.500 0.003 0.000 0.742 109 K HN 0.448 nan 8.250 nan 0.000 0.458 110 A N -0.146 122.699 122.820 0.042 0.000 2.551 110 A HA 0.306 4.627 4.320 0.001 0.000 0.252 110 A C -0.005 177.625 177.584 0.077 0.000 1.199 110 A CA -0.342 51.724 52.037 0.047 0.000 0.972 110 A CB 0.447 19.473 19.000 0.044 0.000 1.153 110 A HN 0.377 nan 8.150 nan 0.000 0.559 111 N N -1.226 117.530 118.700 0.093 0.000 2.284 111 N HA 0.465 5.206 4.740 0.001 0.000 0.289 111 N C 0.830 176.398 175.510 0.097 0.000 1.179 111 N CA 0.248 53.370 53.050 0.120 0.000 0.774 111 N CB 1.973 40.557 38.487 0.162 0.000 1.548 111 N HN 0.016 nan 8.380 nan 0.000 0.473 112 A N 0.996 123.872 122.820 0.093 0.000 1.858 112 A HA 0.283 4.604 4.320 0.001 0.000 0.216 112 A C 0.782 178.398 177.584 0.054 0.000 1.190 112 A CA 2.156 54.245 52.037 0.086 0.000 0.617 112 A CB -0.237 18.837 19.000 0.124 0.000 0.827 112 A HN 0.805 nan 8.150 nan 0.000 0.443 113 A N -2.679 120.127 122.820 -0.022 0.000 2.557 113 A HA 0.668 4.989 4.320 0.001 0.000 0.292 113 A C -0.883 176.640 177.584 -0.102 0.000 1.139 113 A CA -0.196 51.731 52.037 -0.183 0.000 0.665 113 A CB 0.336 19.136 19.000 -0.335 0.000 1.285 113 A HN 1.234 nan 8.150 nan 0.000 0.433 114 F N -1.536 118.375 119.950 -0.065 0.000 2.629 114 F HA 0.852 5.380 4.527 0.001 0.000 0.316 114 F C -1.280 174.546 175.800 0.043 0.000 1.081 114 F CA -1.866 56.127 58.000 -0.012 0.000 0.954 114 F CB 1.540 40.552 39.000 0.020 0.000 1.337 114 F HN 0.532 nan 8.300 nan 0.000 0.474 115 L N 3.780 125.272 121.223 0.448 0.000 2.345 115 L HA 0.553 4.894 4.340 0.001 0.000 0.274 115 L C -1.038 175.956 176.870 0.207 0.000 0.999 115 L CA -0.904 54.160 54.840 0.373 0.000 0.849 115 L CB 1.480 43.637 42.059 0.162 0.000 1.220 115 L HN 0.920 nan 8.230 nan 0.000 0.422 116 M N 5.645 125.401 119.600 0.261 0.000 2.120 116 M HA 0.444 4.925 4.480 0.001 0.000 0.354 116 M C -1.233 175.063 176.300 -0.006 0.000 1.287 116 M CA -0.238 55.095 55.300 0.055 0.000 1.103 116 M CB 0.487 33.121 32.600 0.058 0.000 1.623 116 M HN 0.474 nan 8.290 nan 0.000 0.471 117 I N 5.519 126.033 120.570 -0.094 0.000 2.307 117 I HA 0.485 4.655 4.170 0.001 0.000 0.289 117 I C 0.553 176.638 176.117 -0.054 0.000 1.021 117 I CA -0.050 61.189 61.300 -0.102 0.000 1.224 117 I CB 0.090 37.980 38.000 -0.182 0.000 1.376 117 I HN 0.910 nan 8.210 nan 0.000 0.470 118 G N 4.194 112.984 108.800 -0.016 0.000 3.259 118 G HA2 0.724 4.684 3.960 0.001 0.000 0.178 118 G HA3 0.724 4.684 3.960 0.001 0.000 0.178 118 G C -0.015 174.895 174.900 0.017 0.000 1.129 118 G CA 0.025 45.123 45.100 -0.004 0.000 0.816 118 G HN 0.600 nan 8.290 nan 0.000 0.634 119 G N -0.652 108.170 108.800 0.037 0.000 3.019 119 G HA2 0.462 4.423 3.960 0.001 0.000 0.152 119 G HA3 0.462 4.423 3.960 0.001 0.000 0.152 119 G C -0.349 174.594 174.900 0.073 0.000 1.320 119 G CA 0.435 45.557 45.100 0.036 0.000 1.013 119 G HN 0.866 nan 8.290 nan 0.000 0.593 120 D N -2.460 117.990 120.400 0.084 0.000 2.368 120 D HA 0.026 4.666 4.640 0.001 0.000 0.240 120 D C 0.888 177.342 176.300 0.257 0.000 1.169 120 D CA -0.080 54.020 54.000 0.167 0.000 0.906 120 D CB 0.606 41.474 40.800 0.114 0.000 1.187 120 D HN 0.528 nan 8.370 nan 0.000 0.435 121 H N -0.600 118.609 119.070 0.231 0.000 2.543 121 H HA -0.137 4.420 4.556 0.001 0.000 0.286 121 H C 1.872 177.285 175.328 0.140 0.000 1.037 121 H CA 0.753 56.921 56.048 0.199 0.000 1.250 121 H CB 0.347 30.251 29.762 0.237 0.000 1.373 121 H HN 0.545 nan 8.280 nan 0.000 0.580 122 S N 0.225 116.107 115.700 0.303 0.000 2.399 122 S HA -0.163 4.308 4.470 0.001 0.000 0.231 122 S C 1.993 176.629 174.600 0.060 0.000 1.022 122 S CA 0.874 59.180 58.200 0.176 0.000 0.983 122 S CB -0.552 62.784 63.200 0.227 0.000 0.803 122 S HN 0.420 nan 8.310 nan 0.000 0.480 123 L N 1.364 122.638 121.223 0.085 0.000 2.349 123 L HA -0.080 4.260 4.340 0.001 0.000 0.220 123 L C 2.663 179.498 176.870 -0.059 0.000 1.130 123 L CA 1.331 56.151 54.840 -0.034 0.000 0.791 123 L CB -1.164 40.895 42.059 0.000 0.000 0.918 123 L HN 0.383 nan 8.230 nan 0.000 0.444 124 T N -1.071 113.479 114.554 -0.007 0.000 2.929 124 T HA -0.166 4.185 4.350 0.001 0.000 0.271 124 T C 1.923 176.470 174.700 -0.256 0.000 1.085 124 T CA 1.174 63.225 62.100 -0.080 0.000 1.125 124 T CB -0.084 68.736 68.868 -0.081 0.000 0.874 124 T HN 0.224 nan 8.240 nan 0.000 0.494 125 V N 1.335 121.102 119.914 -0.246 0.000 2.515 125 V HA -0.071 4.050 4.120 0.001 0.000 0.250 125 V C 2.534 178.495 176.094 -0.222 0.000 1.058 125 V CA 1.810 63.968 62.300 -0.238 0.000 1.064 125 V CB -0.853 30.884 31.823 -0.144 0.000 0.675 125 V HN 0.502 nan 8.190 nan 0.000 0.461 126 A N -0.243 122.441 122.820 -0.226 0.000 1.930 126 A HA 0.056 4.377 4.320 0.001 0.000 0.217 126 A C 2.407 179.912 177.584 -0.132 0.000 1.175 126 A CA 1.859 53.774 52.037 -0.204 0.000 0.627 126 A CB -0.866 17.992 19.000 -0.238 0.000 0.815 126 A HN 0.785 nan 8.150 nan 0.000 0.443 127 A N -0.151 122.604 122.820 -0.109 0.000 1.898 127 A HA 0.004 4.325 4.320 0.001 0.000 0.216 127 A C 2.144 179.657 177.584 -0.117 0.000 1.181 127 A CA 1.373 53.433 52.037 0.038 0.000 0.620 127 A CB -0.603 18.511 19.000 0.189 0.000 0.819 127 A HN 0.452 nan 8.150 nan 0.000 0.442 128 L N -1.041 119.980 121.223 -0.337 0.000 2.079 128 L HA -0.214 4.127 4.340 0.001 0.000 0.210 128 L C 2.888 179.661 176.870 -0.161 0.000 1.081 128 L CA 1.524 56.150 54.840 -0.356 0.000 0.752 128 L CB -0.455 41.390 42.059 -0.356 0.000 0.896 128 L HN 0.367 nan 8.230 nan 0.000 0.433 129 R N -0.286 120.141 120.500 -0.122 0.000 2.075 129 R HA -0.122 4.218 4.340 0.001 0.000 0.232 129 R C 2.451 178.736 176.300 -0.026 0.000 1.126 129 R CA 1.335 57.392 56.100 -0.071 0.000 0.963 129 R CB -0.469 29.781 30.300 -0.083 0.000 0.858 129 R HN 0.351 nan 8.270 nan 0.000 0.435 130 A N 0.530 123.354 122.820 0.005 0.000 1.898 130 A HA -0.102 4.219 4.320 0.001 0.000 0.216 130 A C 2.321 179.965 177.584 0.099 0.000 1.181 130 A CA 1.358 53.439 52.037 0.073 0.000 0.620 130 A CB -0.435 18.658 19.000 0.155 0.000 0.819 130 A HN 0.118 nan 8.150 nan 0.000 0.442 131 V N -0.248 119.723 119.914 0.095 0.000 2.379 131 V HA -0.163 3.958 4.120 0.001 0.000 0.245 131 V C 3.014 179.183 176.094 0.125 0.000 1.044 131 V CA 1.705 64.072 62.300 0.110 0.000 1.036 131 V CB -1.188 30.658 31.823 0.038 0.000 0.664 131 V HN 0.588 nan 8.190 nan 0.000 0.453 132 A N 0.224 123.070 122.820 0.043 0.000 1.972 132 A HA -0.190 4.130 4.320 0.001 0.000 0.219 132 A C 2.294 179.898 177.584 0.033 0.000 1.169 132 A CA 2.046 54.109 52.037 0.042 0.000 0.635 132 A CB -0.690 18.310 19.000 0.001 0.000 0.810 132 A HN 0.629 nan 8.150 nan 0.000 0.446 133 E N -1.831 118.378 120.200 0.015 0.000 2.265 133 E HA -0.044 4.307 4.350 0.001 0.000 0.196 133 E C 1.897 178.477 176.600 -0.033 0.000 0.996 133 E CA 2.022 58.418 56.400 -0.006 0.000 0.832 133 E CB -1.098 28.598 29.700 -0.006 0.000 0.756 133 E HN 0.985 nan 8.360 nan 0.000 0.491 134 Q N -1.168 118.600 119.800 -0.053 0.000 2.317 134 Q HA 0.182 4.523 4.340 0.001 0.000 0.220 134 Q C 1.661 177.410 176.000 -0.419 0.000 0.873 134 Q CA 0.677 56.351 55.803 -0.215 0.000 0.936 134 Q CB -0.075 28.511 28.738 -0.253 0.000 1.105 134 Q HN 0.851 nan 8.270 nan 0.000 0.520 135 H N -1.996 117.070 119.070 -0.006 0.000 3.440 135 H HA 0.431 4.988 4.556 0.001 0.000 0.259 135 H C 1.048 176.376 175.328 0.000 0.000 1.120 135 H CA 0.458 56.504 56.048 -0.004 0.000 1.191 135 H CB 1.612 31.372 29.762 -0.003 0.000 1.537 135 H HN 0.641 nan 8.280 nan 0.000 0.547 136 G N 2.003 110.858 108.800 0.091 0.000 2.698 136 G HA2 -0.203 3.758 3.960 0.001 0.000 0.225 136 G HA3 -0.203 3.758 3.960 0.001 0.000 0.225 136 G C -2.649 172.287 174.900 0.060 0.000 1.345 136 G CA -1.116 44.018 45.100 0.056 0.000 0.871 136 G HN -0.007 nan 8.290 nan 0.000 0.540 137 P HA 0.270 nan 4.420 nan 0.000 0.261 137 P C 0.156 177.483 177.300 0.046 0.000 1.165 137 P CA 0.393 63.515 63.100 0.037 0.000 0.759 137 P CB 0.189 31.908 31.700 0.032 0.000 0.772 138 L N 2.262 123.511 121.223 0.044 0.000 2.334 138 L HA 0.681 5.022 4.340 0.001 0.000 0.272 138 L C 0.658 177.567 176.870 0.065 0.000 1.020 138 L CA -1.097 53.775 54.840 0.053 0.000 0.812 138 L CB 1.452 43.544 42.059 0.055 0.000 1.264 138 L HN 0.288 nan 8.230 nan 0.000 0.439 139 A N 2.071 124.930 122.820 0.067 0.000 2.316 139 A HA 0.741 5.062 4.320 0.001 0.000 0.284 139 A C -0.592 177.061 177.584 0.115 0.000 1.115 139 A CA -0.392 51.688 52.037 0.073 0.000 0.812 139 A CB 1.017 20.048 19.000 0.052 0.000 1.064 139 A HN 0.410 nan 8.150 nan 0.000 0.489 140 V N 1.961 121.951 119.914 0.126 0.000 2.709 140 V HA 0.454 4.574 4.120 0.001 0.000 0.308 140 V C -0.752 175.426 176.094 0.141 0.000 1.062 140 V CA -0.496 61.913 62.300 0.182 0.000 0.901 140 V CB 2.014 33.979 31.823 0.237 0.000 1.003 140 V HN 0.652 nan 8.190 nan 0.000 0.425 141 V N 4.006 124.018 119.914 0.164 0.000 2.376 141 V HA 0.416 4.537 4.120 0.001 0.000 0.287 141 V C -0.414 175.788 176.094 0.181 0.000 1.015 141 V CA -0.473 61.902 62.300 0.125 0.000 0.834 141 V CB 1.194 33.077 31.823 0.101 0.000 1.001 141 V HN 0.942 nan 8.190 nan 0.000 0.428 142 H N 6.233 125.284 119.070 -0.032 0.000 2.587 142 H HA 0.580 5.137 4.556 0.001 0.000 0.325 142 H C -1.347 173.941 175.328 -0.067 0.000 1.012 142 H CA -0.943 55.051 56.048 -0.089 0.000 1.213 142 H CB 1.321 30.797 29.762 -0.476 0.000 1.431 142 H HN 0.505 nan 8.280 nan 0.000 0.492 143 L N 5.878 127.098 121.223 -0.005 0.000 2.265 143 L HA 0.360 4.701 4.340 0.001 0.000 0.289 143 L C -0.344 176.406 176.870 -0.201 0.000 1.033 143 L CA -0.289 54.458 54.840 -0.155 0.000 0.814 143 L CB 1.236 43.251 42.059 -0.073 0.000 1.203 143 L HN 0.680 nan 8.230 nan 0.000 0.423 144 D N 1.360 121.550 120.400 -0.351 0.000 2.683 144 D HA 0.316 4.956 4.640 0.001 0.000 0.246 144 D C -0.133 176.014 176.300 -0.255 0.000 1.238 144 D CA -0.307 53.557 54.000 -0.227 0.000 0.759 144 D CB 2.286 42.902 40.800 -0.306 0.000 1.349 144 D HN 0.415 nan 8.370 nan 0.000 0.426 145 A N 1.126 123.790 122.820 -0.261 0.000 2.132 145 A HA 0.148 4.468 4.320 0.001 0.000 0.213 145 A C 0.115 177.313 177.584 -0.643 0.000 1.154 145 A CA 0.957 52.709 52.037 -0.475 0.000 0.753 145 A CB -0.255 18.398 19.000 -0.580 0.000 0.826 145 A HN 0.523 nan 8.150 nan 0.000 0.469 146 H N -2.555 116.492 119.070 -0.038 0.000 2.622 146 H HA 0.472 5.028 4.556 0.001 0.000 0.363 146 H C 0.922 176.259 175.328 0.014 0.000 1.151 146 H CA -0.006 56.040 56.048 -0.005 0.000 1.184 146 H CB 1.698 31.471 29.762 0.019 0.000 1.643 146 H HN 0.026 nan 8.280 nan 0.000 0.531 147 S N 0.482 116.268 115.700 0.144 0.000 2.399 147 S HA -0.158 4.313 4.470 0.001 0.000 0.231 147 S C 0.151 174.894 174.600 0.238 0.000 1.022 147 S CA 1.248 59.528 58.200 0.134 0.000 0.983 147 S CB -0.466 62.802 63.200 0.114 0.000 0.803 147 S HN 0.855 nan 8.310 nan 0.000 0.480 148 D N 0.299 120.839 120.400 0.235 0.000 2.772 148 D HA -0.108 4.532 4.640 0.001 0.000 0.233 148 D C 0.312 176.728 176.300 0.193 0.000 1.143 148 D CA 1.353 55.488 54.000 0.225 0.000 0.700 148 D CB -1.789 39.206 40.800 0.325 0.000 1.076 148 D HN 0.633 nan 8.370 nan 0.000 0.430 149 T N -3.514 111.116 114.554 0.127 0.000 3.380 149 T HA 0.196 4.547 4.350 0.001 0.000 0.289 149 T C 0.358 174.993 174.700 -0.108 0.000 1.012 149 T CA -0.780 61.350 62.100 0.051 0.000 0.944 149 T CB 0.413 69.409 68.868 0.213 0.000 1.172 149 T HN -0.050 nan 8.240 nan 0.000 0.502 150 N N 2.966 121.638 118.700 -0.047 0.000 2.483 150 N HA 0.387 5.128 4.740 0.001 0.000 0.269 150 N C -2.856 172.590 175.510 -0.107 0.000 1.209 150 N CA -1.693 51.344 53.050 -0.021 0.000 0.969 150 N CB 0.802 39.378 38.487 0.148 0.000 1.173 150 N HN 0.168 nan 8.380 nan 0.000 0.475 151 P HA 0.117 nan 4.420 nan 0.000 0.271 151 P C -0.641 176.692 177.300 0.054 0.000 1.218 151 P CA -0.061 63.004 63.100 -0.059 0.000 0.780 151 P CB 0.543 32.255 31.700 0.020 0.000 0.901 152 A N 2.825 125.589 122.820 -0.093 0.000 2.240 152 A HA 0.837 5.158 4.320 0.001 0.000 0.292 152 A C -0.451 177.169 177.584 0.060 0.000 1.121 152 A CA 0.014 51.953 52.037 -0.164 0.000 0.851 152 A CB -0.026 18.822 19.000 -0.255 0.000 1.167 152 A HN 0.568 nan 8.150 nan 0.000 0.503 153 F N -4.401 115.598 119.950 0.082 0.000 2.773 153 F HA 0.521 5.049 4.527 0.001 0.000 0.314 153 F C -1.002 174.861 175.800 0.106 0.000 1.160 153 F CA -1.575 56.482 58.000 0.095 0.000 0.920 153 F CB 0.532 39.590 39.000 0.096 0.000 1.323 153 F HN 0.598 nan 8.300 nan 0.000 0.457 154 Y N 2.150 122.643 120.300 0.321 0.000 2.620 154 Y HA 0.403 4.953 4.550 0.001 0.000 0.330 154 Y C 1.194 177.261 175.900 0.277 0.000 1.186 154 Y CA 1.333 59.551 58.100 0.196 0.000 1.467 154 Y CB 0.705 39.245 38.460 0.133 0.000 1.262 154 Y HN 1.328 nan 8.280 nan 0.000 0.550 155 G N 3.292 111.784 108.800 -0.514 0.000 2.148 155 G HA2 -0.175 3.786 3.960 0.001 0.000 0.254 155 G HA3 -0.175 3.786 3.960 0.001 0.000 0.254 155 G C 0.406 175.276 174.900 -0.050 0.000 0.981 155 G CA 0.297 45.193 45.100 -0.340 0.000 0.670 155 G HN 1.808 nan 8.290 nan 0.000 0.528 156 G N -1.016 107.683 108.800 -0.168 0.000 5.374 156 G HA2 0.418 4.379 3.960 0.001 0.000 0.198 156 G HA3 0.418 4.379 3.960 0.001 0.000 0.198 156 G C 0.471 174.994 174.900 -0.628 0.000 0.812 156 G CA 0.856 45.704 45.100 -0.421 0.000 0.614 156 G HN 0.456 nan 8.290 nan 0.000 0.357 157 R N -0.345 119.909 120.500 -0.411 0.000 2.152 157 R HA -0.002 4.339 4.340 0.001 0.000 0.232 157 R C 0.068 175.980 176.300 -0.647 0.000 1.117 157 R CA 1.037 56.811 56.100 -0.543 0.000 0.981 157 R CB 0.051 29.968 30.300 -0.639 0.000 0.870 157 R HN 0.389 nan 8.270 nan 0.000 0.451 158 Y N 0.328 120.535 120.300 -0.154 0.000 2.557 158 Y HA 0.185 4.735 4.550 0.001 0.000 0.352 158 Y C -0.652 175.201 175.900 -0.079 0.000 0.918 158 Y CA -1.118 56.913 58.100 -0.115 0.000 1.232 158 Y CB -0.143 38.263 38.460 -0.090 0.000 1.235 158 Y HN 0.180 nan 8.280 nan 0.000 0.596 159 H N -3.446 115.639 119.070 0.025 0.000 2.615 159 H HA 0.118 4.674 4.556 0.001 0.000 0.363 159 H C 1.235 176.700 175.328 0.229 0.000 1.148 159 H CA -0.301 55.797 56.048 0.084 0.000 1.401 159 H CB 0.334 30.126 29.762 0.050 0.000 1.461 159 H HN 0.580 nan 8.280 nan 0.000 0.588 160 H N 0.259 119.456 119.070 0.211 0.000 2.568 160 H HA -0.005 4.552 4.556 0.001 0.000 0.285 160 H C 1.022 176.457 175.328 0.178 0.000 1.048 160 H CA -0.028 56.126 56.048 0.175 0.000 1.197 160 H CB -0.177 29.697 29.762 0.187 0.000 1.343 160 H HN 0.819 nan 8.280 nan 0.000 0.614 161 G N 0.655 109.671 108.800 0.360 0.000 3.159 161 G HA2 -0.067 3.894 3.960 0.001 0.000 0.232 161 G HA3 -0.067 3.894 3.960 0.001 0.000 0.232 161 G C 1.298 176.198 174.900 0.000 0.000 1.116 161 G CA 0.371 45.593 45.100 0.203 0.000 0.767 161 G HN 0.536 nan 8.290 nan 0.000 0.547 162 T N -2.127 112.298 114.554 -0.214 0.000 2.985 162 T HA 0.225 4.575 4.350 0.001 0.000 0.254 162 T C 0.129 174.707 174.700 -0.204 0.000 1.021 162 T CA 0.211 62.111 62.100 -0.333 0.000 0.957 162 T CB 0.317 68.844 68.868 -0.568 0.000 1.047 162 T HN 0.074 nan 8.240 nan 0.000 0.511 163 P HA -0.195 nan 4.420 nan 0.000 0.216 163 P C 0.876 177.912 177.300 -0.440 0.000 1.167 163 P CA 1.460 64.383 63.100 -0.295 0.000 0.914 163 P CB -0.357 31.013 31.700 -0.549 0.000 0.793 164 F N -0.908 118.951 119.950 -0.152 0.000 2.661 164 F HA 0.099 4.626 4.527 0.001 0.000 0.298 164 F C 2.839 178.609 175.800 -0.050 0.000 1.137 164 F CA 0.319 58.255 58.000 -0.108 0.000 1.454 164 F CB -0.735 38.187 39.000 -0.130 0.000 1.103 164 F HN -0.166 nan 8.300 nan 0.000 0.577 165 R N -0.168 120.314 120.500 -0.031 0.000 2.062 165 R HA -0.097 4.244 4.340 0.001 0.000 0.229 165 R C 2.240 178.464 176.300 -0.127 0.000 1.128 165 R CA 1.537 57.547 56.100 -0.151 0.000 0.960 165 R CB -0.617 29.415 30.300 -0.448 0.000 0.855 165 R HN 0.177 nan 8.270 nan 0.000 0.432 166 H N -0.821 118.202 119.070 -0.078 0.000 2.353 166 H HA -0.009 4.548 4.556 0.001 0.000 0.300 166 H C 1.910 177.204 175.328 -0.056 0.000 1.090 166 H CA 1.562 57.569 56.048 -0.068 0.000 1.327 166 H CB -0.679 29.044 29.762 -0.064 0.000 1.383 166 H HN 0.497 nan 8.280 nan 0.000 0.508 167 G N 0.866 109.686 108.800 0.033 0.000 2.469 167 G HA2 -0.214 3.747 3.960 0.001 0.000 0.219 167 G HA3 -0.214 3.747 3.960 0.001 0.000 0.219 167 G C 1.928 176.836 174.900 0.015 0.000 1.150 167 G CA 1.016 46.108 45.100 -0.013 0.000 0.763 167 G HN 0.329 nan 8.290 nan 0.000 0.561 168 I N 0.590 121.176 120.570 0.026 0.000 2.277 168 I HA -0.057 4.114 4.170 0.001 0.000 0.243 168 I C 2.278 178.370 176.117 -0.043 0.000 1.094 168 I CA 0.970 62.244 61.300 -0.042 0.000 1.393 168 I CB -0.223 37.693 38.000 -0.140 0.000 1.078 168 I HN 0.006 nan 8.210 nan 0.000 0.417 169 D N 1.064 121.474 120.400 0.017 0.000 2.123 169 D HA -0.199 4.441 4.640 0.001 0.000 0.196 169 D C 1.784 178.112 176.300 0.046 0.000 0.992 169 D CA 1.336 55.366 54.000 0.050 0.000 0.833 169 D CB -0.240 40.608 40.800 0.079 0.000 0.954 169 D HN 0.400 nan 8.370 nan 0.000 0.455 170 E N 0.205 120.431 120.200 0.045 0.000 2.494 170 E HA -0.013 4.337 4.350 0.001 0.000 0.193 170 E C 0.078 176.688 176.600 0.017 0.000 1.074 170 E CA -0.038 56.381 56.400 0.031 0.000 0.867 170 E CB 0.230 29.946 29.700 0.026 0.000 0.924 170 E HN 0.017 nan 8.360 nan 0.000 0.502 171 K N -0.587 119.821 120.400 0.014 0.000 3.160 171 K HA -0.220 4.101 4.320 0.001 0.000 0.280 171 K C 0.661 177.266 176.600 0.009 0.000 1.154 171 K CA 0.552 56.846 56.287 0.013 0.000 0.822 171 K CB -2.073 30.438 32.500 0.018 0.000 1.239 171 K HN 0.312 nan 8.250 nan 0.000 0.489 172 L N -0.530 120.694 121.223 0.001 0.000 2.341 172 L HA 0.169 4.510 4.340 0.001 0.000 0.214 172 L C 1.228 178.098 176.870 0.001 0.000 1.115 172 L CA 0.687 55.521 54.840 -0.010 0.000 0.820 172 L CB 0.045 42.080 42.059 -0.040 0.000 0.944 172 L HN 0.121 nan 8.230 nan 0.000 0.452 173 I N -0.716 119.863 120.570 0.014 0.000 2.603 173 I HA 0.200 4.371 4.170 0.001 0.000 0.300 173 I C -0.759 175.378 176.117 0.033 0.000 1.017 173 I CA -0.680 60.643 61.300 0.038 0.000 1.098 173 I CB 2.204 40.246 38.000 0.071 0.000 1.279 173 I HN -0.193 nan 8.210 nan 0.000 0.437 174 D N 7.662 128.088 120.400 0.042 0.000 2.467 174 D HA 0.230 4.870 4.640 0.001 0.000 0.220 174 D C -1.491 174.834 176.300 0.041 0.000 1.103 174 D CA -2.474 51.548 54.000 0.037 0.000 0.886 174 D CB 1.278 42.100 40.800 0.037 0.000 1.025 174 D HN 0.175 nan 8.370 nan 0.000 0.514 175 P HA -0.246 nan 4.420 nan 0.000 0.217 175 P C 1.064 178.388 177.300 0.040 0.000 1.151 175 P CA 1.144 64.266 63.100 0.036 0.000 0.849 175 P CB 0.177 31.897 31.700 0.033 0.000 0.787 176 A N -0.196 122.646 122.820 0.037 0.000 2.178 176 A HA 0.136 4.456 4.320 0.001 0.000 0.218 176 A C 2.005 179.607 177.584 0.029 0.000 1.157 176 A CA 1.451 53.506 52.037 0.029 0.000 0.689 176 A CB -0.922 18.093 19.000 0.025 0.000 0.787 176 A HN 0.298 nan 8.150 nan 0.000 0.465 177 A N -1.273 121.569 122.820 0.036 0.000 2.631 177 A HA 0.627 4.948 4.320 0.001 0.000 0.294 177 A C 0.178 177.791 177.584 0.049 0.000 1.156 177 A CA -0.253 51.807 52.037 0.038 0.000 0.963 177 A CB -0.217 18.806 19.000 0.038 0.000 1.202 177 A HN 0.469 nan 8.150 nan 0.000 0.523 178 M N 1.116 120.745 119.600 0.048 0.000 2.311 178 M HA 0.625 5.105 4.480 0.001 0.000 0.325 178 M C -2.032 174.291 176.300 0.038 0.000 1.061 178 M CA -0.510 54.823 55.300 0.055 0.000 0.957 178 M CB 1.838 34.476 32.600 0.063 0.000 1.646 178 M HN -0.031 nan 8.290 nan 0.000 0.434 179 V N 5.117 125.053 119.914 0.036 0.000 2.525 179 V HA 0.397 4.518 4.120 0.001 0.000 0.299 179 V C -1.004 175.090 176.094 0.000 0.000 1.034 179 V CA -0.693 61.619 62.300 0.019 0.000 0.863 179 V CB 1.837 33.676 31.823 0.026 0.000 0.999 179 V HN 0.879 nan 8.190 nan 0.000 0.423 180 Q N 4.504 124.283 119.800 -0.035 0.000 2.331 180 Q HA 0.838 5.178 4.340 0.001 0.000 0.267 180 Q C -1.466 174.458 176.000 -0.128 0.000 1.006 180 Q CA -0.755 54.978 55.803 -0.117 0.000 0.818 180 Q CB 2.475 31.118 28.738 -0.159 0.000 1.276 180 Q HN 0.577 nan 8.270 nan 0.000 0.450 181 I N 1.597 122.068 120.570 -0.164 0.000 2.493 181 I HA 0.620 4.790 4.170 0.001 0.000 0.298 181 I C 0.987 176.964 176.117 -0.233 0.000 0.998 181 I CA -0.062 61.149 61.300 -0.149 0.000 1.137 181 I CB 1.986 39.912 38.000 -0.122 0.000 1.310 181 I HN 0.963 nan 8.210 nan 0.000 0.445 182 G N 4.670 113.347 108.800 -0.204 0.000 2.195 182 G HA2 -0.164 3.797 3.960 0.001 0.000 0.224 182 G HA3 -0.164 3.797 3.960 0.001 0.000 0.224 182 G C 0.288 175.073 174.900 -0.192 0.000 0.990 182 G CA -0.715 44.247 45.100 -0.230 0.000 0.639 182 G HN 0.419 nan 8.290 nan 0.000 0.514 183 I N 2.130 122.599 120.570 -0.168 0.000 2.906 183 I HA 0.261 4.431 4.170 0.001 0.000 0.302 183 I C 1.114 177.151 176.117 -0.134 0.000 1.220 183 I CA 1.150 62.358 61.300 -0.153 0.000 1.441 183 I CB -0.547 37.394 38.000 -0.098 0.000 1.336 183 I HN 0.738 nan 8.210 nan 0.000 0.565 184 R N 3.413 123.812 120.500 -0.168 0.000 2.756 184 R HA 0.701 5.042 4.340 0.001 0.000 0.273 184 R C 0.196 176.383 176.300 -0.188 0.000 1.030 184 R CA -0.318 55.688 56.100 -0.155 0.000 0.887 184 R CB 0.634 30.851 30.300 -0.140 0.000 1.274 184 R HN 0.728 nan 8.270 nan 0.000 0.461 185 G N -0.001 108.657 108.800 -0.237 0.000 2.588 185 G HA2 -0.180 3.780 3.960 0.001 0.000 0.273 185 G HA3 -0.180 3.780 3.960 0.001 0.000 0.273 185 G C -0.985 173.527 174.900 -0.648 0.000 1.211 185 G CA 0.182 45.061 45.100 -0.369 0.000 0.958 185 G HN 0.854 nan 8.290 nan 0.000 0.543 186 H N 1.138 120.222 119.070 0.023 0.000 2.771 186 H HA 0.471 5.027 4.556 0.001 0.000 0.361 186 H C -0.157 175.200 175.328 0.048 0.000 1.108 186 H CA -0.526 55.538 56.048 0.028 0.000 1.201 186 H CB 1.092 30.864 29.762 0.017 0.000 1.681 186 H HN 0.559 nan 8.280 nan 0.000 0.534 187 N N 3.002 121.785 118.700 0.139 0.000 2.515 187 N HA 0.095 4.836 4.740 0.001 0.000 0.279 187 N C -1.215 174.356 175.510 0.101 0.000 1.164 187 N CA -1.435 51.679 53.050 0.107 0.000 0.982 187 N CB 1.566 40.100 38.487 0.078 0.000 1.170 187 N HN 0.432 nan 8.380 nan 0.000 0.474 188 P HA -0.049 nan 4.420 nan 0.000 0.221 188 P C -0.260 177.067 177.300 0.044 0.000 1.150 188 P CA 1.533 64.665 63.100 0.054 0.000 0.800 188 P CB 0.267 31.995 31.700 0.048 0.000 0.787 189 K N 0.191 120.623 120.400 0.052 0.000 2.477 189 K HA 0.460 4.781 4.320 0.001 0.000 0.255 189 K C -2.529 174.102 176.600 0.051 0.000 0.952 189 K CA -1.538 54.775 56.287 0.045 0.000 0.826 189 K CB 0.377 32.901 32.500 0.041 0.000 1.331 189 K HN -0.207 nan 8.250 nan 0.000 0.437 190 P HA -0.057 nan 4.420 nan 0.000 0.225 190 P C 0.499 177.825 177.300 0.044 0.000 1.148 190 P CA 1.943 65.069 63.100 0.044 0.000 0.779 190 P CB -0.035 31.687 31.700 0.036 0.000 0.780 191 D N -0.883 119.546 120.400 0.048 0.000 2.559 191 D HA 0.244 4.884 4.640 0.001 0.000 0.234 191 D C 1.517 177.860 176.300 0.072 0.000 1.226 191 D CA -0.168 53.864 54.000 0.054 0.000 0.830 191 D CB -0.508 40.322 40.800 0.049 0.000 1.028 191 D HN -0.044 nan 8.370 nan 0.000 0.492 192 S N -0.133 115.610 115.700 0.073 0.000 2.423 192 S HA 0.004 4.475 4.470 0.001 0.000 0.231 192 S C 1.888 176.557 174.600 0.115 0.000 1.014 192 S CA 0.460 58.713 58.200 0.088 0.000 0.965 192 S CB -0.049 63.199 63.200 0.079 0.000 0.785 192 S HN 0.638 nan 8.310 nan 0.000 0.495 193 L N 0.763 122.047 121.223 0.101 0.000 2.567 193 L HA 0.079 4.420 4.340 0.001 0.000 0.225 193 L C 1.402 178.343 176.870 0.118 0.000 1.119 193 L CA 0.210 55.116 54.840 0.111 0.000 0.871 193 L CB -0.342 41.760 42.059 0.071 0.000 1.036 193 L HN 0.098 nan 8.230 nan 0.000 0.459 194 D N -0.052 120.415 120.400 0.111 0.000 2.123 194 D HA -0.262 4.379 4.640 0.001 0.000 0.196 194 D C 1.757 178.126 176.300 0.115 0.000 0.992 194 D CA 1.341 55.395 54.000 0.090 0.000 0.833 194 D CB -0.122 40.725 40.800 0.078 0.000 0.954 194 D HN 0.303 nan 8.370 nan 0.000 0.455 195 Y N 1.412 121.754 120.300 0.070 0.000 2.049 195 Y HA -0.265 4.285 4.550 0.001 0.000 0.277 195 Y C 2.294 178.309 175.900 0.192 0.000 1.143 195 Y CA 2.239 60.414 58.100 0.125 0.000 1.115 195 Y CB -0.625 37.911 38.460 0.127 0.000 0.975 195 Y HN -0.039 nan 8.280 nan 0.000 0.487 196 A N 0.727 123.669 122.820 0.204 0.000 1.883 196 A HA -0.231 4.090 4.320 0.001 0.000 0.217 196 A C 2.309 179.903 177.584 0.018 0.000 1.186 196 A CA 2.118 54.209 52.037 0.089 0.000 0.624 196 A CB -0.753 18.353 19.000 0.176 0.000 0.822 196 A HN 0.599 nan 8.150 nan 0.000 0.444 197 R N -1.115 119.402 120.500 0.028 0.000 2.092 197 R HA -0.081 4.259 4.340 0.001 0.000 0.231 197 R C 2.370 178.647 176.300 -0.039 0.000 1.119 197 R CA 1.014 57.117 56.100 0.004 0.000 0.970 197 R CB -0.605 29.703 30.300 0.014 0.000 0.864 197 R HN 0.543 nan 8.270 nan 0.000 0.440 198 G N -0.353 108.396 108.800 -0.085 0.000 2.448 198 G HA2 -0.248 3.713 3.960 0.001 0.000 0.219 198 G HA3 -0.248 3.713 3.960 0.001 0.000 0.219 198 G C 0.780 175.525 174.900 -0.258 0.000 1.127 198 G CA 0.785 45.783 45.100 -0.170 0.000 0.766 198 G HN 0.413 nan 8.290 nan 0.000 0.552 199 H N -0.713 118.238 119.070 -0.199 0.000 2.539 199 H HA 0.337 4.894 4.556 0.001 0.000 0.267 199 H C 1.991 177.259 175.328 -0.101 0.000 0.982 199 H CA 0.521 56.457 56.048 -0.186 0.000 1.146 199 H CB 0.472 30.052 29.762 -0.303 0.000 1.382 199 H HN 0.412 nan 8.280 nan 0.000 0.577 200 G N 0.184 108.990 108.800 0.010 0.000 2.141 200 G HA2 -0.266 3.694 3.960 0.001 0.000 0.231 200 G HA3 -0.266 3.694 3.960 0.001 0.000 0.231 200 G C -0.023 174.891 174.900 0.022 0.000 0.984 200 G CA 0.153 45.260 45.100 0.012 0.000 0.660 200 G HN 0.204 nan 8.290 nan 0.000 0.525 201 V N 0.972 120.903 119.914 0.028 0.000 2.572 201 V HA 0.449 4.570 4.120 0.001 0.000 0.291 201 V C 1.083 177.190 176.094 0.022 0.000 1.039 201 V CA -0.158 62.160 62.300 0.030 0.000 1.055 201 V CB 1.278 33.125 31.823 0.040 0.000 0.969 201 V HN 0.472 nan 8.190 nan 0.000 0.482 202 R N 4.716 125.228 120.500 0.019 0.000 2.210 202 R HA 0.388 4.729 4.340 0.001 0.000 0.338 202 R C -1.050 175.255 176.300 0.009 0.000 1.062 202 R CA -0.037 56.071 56.100 0.014 0.000 0.902 202 R CB 0.583 30.892 30.300 0.015 0.000 1.050 202 R HN 0.509 nan 8.270 nan 0.000 0.461 203 V N 6.082 126.000 119.914 0.007 0.000 2.370 203 V HA 0.313 4.433 4.120 0.001 0.000 0.279 203 V C -0.429 175.664 176.094 -0.001 0.000 1.029 203 V CA -0.738 61.561 62.300 -0.002 0.000 0.870 203 V CB 1.681 33.507 31.823 0.004 0.000 0.984 203 V HN 0.497 nan 8.190 nan 0.000 0.451 204 V N 5.076 124.986 119.914 -0.006 0.000 2.293 204 V HA 0.292 4.412 4.120 0.001 0.000 0.275 204 V C 0.709 176.805 176.094 0.004 0.000 1.021 204 V CA -0.505 61.806 62.300 0.017 0.000 0.815 204 V CB 1.524 33.377 31.823 0.051 0.000 1.025 204 V HN 1.032 nan 8.190 nan 0.000 0.448 205 T N 2.209 116.766 114.554 0.004 0.000 2.802 205 T HA 0.377 4.728 4.350 0.001 0.000 0.305 205 T C 1.566 176.280 174.700 0.022 0.000 1.053 205 T CA 0.227 62.319 62.100 -0.013 0.000 1.058 205 T CB 1.417 70.275 68.868 -0.015 0.000 0.988 205 T HN 0.697 nan 8.240 nan 0.000 0.539 206 A N 1.194 124.007 122.820 -0.012 0.000 1.940 206 A HA -0.116 4.204 4.320 0.001 0.000 0.219 206 A C 2.056 179.700 177.584 0.099 0.000 1.176 206 A CA 1.835 53.889 52.037 0.027 0.000 0.631 206 A CB -1.006 17.974 19.000 -0.033 0.000 0.814 206 A HN 0.919 nan 8.150 nan 0.000 0.446 207 D N -0.699 119.727 120.400 0.043 0.000 2.084 207 D HA -0.169 4.472 4.640 0.001 0.000 0.194 207 D C 1.921 178.245 176.300 0.041 0.000 0.990 207 D CA 1.607 55.627 54.000 0.035 0.000 0.826 207 D CB -0.440 40.364 40.800 0.006 0.000 0.971 207 D HN 0.737 nan 8.370 nan 0.000 0.453 208 E N -0.503 119.722 120.200 0.042 0.000 2.153 208 E HA -0.185 4.165 4.350 0.001 0.000 0.194 208 E C 2.015 178.636 176.600 0.035 0.000 0.988 208 E CA 0.413 56.829 56.400 0.027 0.000 0.811 208 E CB -0.222 29.493 29.700 0.026 0.000 0.746 208 E HN 0.204 nan 8.360 nan 0.000 0.466 209 F N 0.877 120.804 119.950 -0.039 0.000 2.161 209 F HA -0.071 4.457 4.527 0.001 0.000 0.300 209 F C 1.934 177.712 175.800 -0.036 0.000 1.089 209 F CA 1.928 59.904 58.000 -0.040 0.000 1.282 209 F CB -0.618 38.352 39.000 -0.050 0.000 1.010 209 F HN 0.054 nan 8.300 nan 0.000 0.485 210 G N -0.601 108.163 108.800 -0.059 0.000 2.408 210 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 210 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 210 G C 1.539 176.331 174.900 -0.179 0.000 1.150 210 G CA 1.091 46.112 45.100 -0.132 0.000 0.776 210 G HN 0.518 nan 8.290 nan 0.000 0.542 211 E N 0.855 120.980 120.200 -0.126 0.000 2.046 211 E HA 0.148 4.499 4.350 0.001 0.000 0.190 211 E C 2.407 178.919 176.600 -0.146 0.000 0.982 211 E CA 0.891 57.227 56.400 -0.107 0.000 0.800 211 E CB -0.525 29.138 29.700 -0.062 0.000 0.756 211 E HN 0.408 nan 8.360 nan 0.000 0.449 212 L N -0.772 120.344 121.223 -0.179 0.000 2.093 212 L HA 0.248 4.589 4.340 0.001 0.000 0.208 212 L C 1.729 178.438 176.870 -0.268 0.000 1.085 212 L CA 0.763 55.492 54.840 -0.184 0.000 0.755 212 L CB -0.670 41.304 42.059 -0.143 0.000 0.904 212 L HN 0.715 nan 8.230 nan 0.000 0.435 213 G N -1.291 107.218 108.800 -0.485 0.000 2.795 213 G HA2 -0.226 3.734 3.960 0.001 0.000 0.664 213 G HA3 -0.226 3.734 3.960 0.001 0.000 0.664 213 G C 0.321 174.900 174.900 -0.535 0.000 1.381 213 G CA -0.444 44.347 45.100 -0.515 0.000 0.853 213 G HN -0.152 nan 8.290 nan 0.000 0.545 214 V N 1.489 121.210 119.914 -0.322 0.000 2.261 214 V HA -0.024 4.097 4.120 0.001 0.000 0.246 214 V C 3.234 179.311 176.094 -0.028 0.000 1.047 214 V CA 3.437 65.701 62.300 -0.059 0.000 1.015 214 V CB -1.290 30.557 31.823 0.041 0.000 0.642 214 V HN 1.595 nan 8.190 nan 0.000 0.446 215 G N -0.005 108.763 108.800 -0.054 0.000 2.446 215 G HA2 -0.183 3.778 3.960 0.001 0.000 0.217 215 G HA3 -0.183 3.778 3.960 0.001 0.000 0.217 215 G C 1.648 176.527 174.900 -0.035 0.000 1.168 215 G CA 1.020 46.100 45.100 -0.033 0.000 0.771 215 G HN 0.594 nan 8.290 nan 0.000 0.551 216 G N 0.124 108.883 108.800 -0.068 0.000 2.440 216 G HA2 -0.164 3.797 3.960 0.001 0.000 0.218 216 G HA3 -0.164 3.797 3.960 0.001 0.000 0.218 216 G C 1.853 176.735 174.900 -0.030 0.000 1.154 216 G CA 1.787 46.852 45.100 -0.058 0.000 0.767 216 G HN 0.399 nan 8.290 nan 0.000 0.552 217 T N 1.548 116.088 114.554 -0.022 0.000 2.821 217 T HA 0.090 4.441 4.350 0.001 0.000 0.267 217 T C 2.803 177.539 174.700 0.060 0.000 1.046 217 T CA 1.320 63.454 62.100 0.057 0.000 1.139 217 T CB -0.298 68.690 68.868 0.200 0.000 0.871 217 T HN 0.373 nan 8.240 nan 0.000 0.454 218 A N 2.086 124.935 122.820 0.049 0.000 1.902 218 A HA -0.160 4.161 4.320 0.001 0.000 0.217 218 A C 2.119 179.716 177.584 0.023 0.000 1.181 218 A CA 1.642 53.703 52.037 0.040 0.000 0.623 218 A CB -0.576 18.443 19.000 0.032 0.000 0.818 218 A HN 0.342 nan 8.150 nan 0.000 0.443 219 D N -0.426 119.981 120.400 0.011 0.000 2.117 219 D HA -0.121 4.519 4.640 0.001 0.000 0.198 219 D C 1.856 178.161 176.300 0.009 0.000 0.982 219 D CA 1.257 55.260 54.000 0.005 0.000 0.828 219 D CB -0.400 40.398 40.800 -0.004 0.000 0.967 219 D HN 0.352 nan 8.370 nan 0.000 0.464 220 L N 1.079 122.309 121.223 0.013 0.000 2.046 220 L HA -0.112 4.229 4.340 0.001 0.000 0.208 220 L C 2.115 178.998 176.870 0.021 0.000 1.077 220 L CA 1.307 56.157 54.840 0.016 0.000 0.747 220 L CB -0.540 41.531 42.059 0.020 0.000 0.896 220 L HN -0.021 nan 8.230 nan 0.000 0.432 221 I N -0.872 119.715 120.570 0.028 0.000 2.142 221 I HA -0.302 3.868 4.170 0.001 0.000 0.240 221 I C 2.672 178.803 176.117 0.023 0.000 1.078 221 I CA 1.267 62.585 61.300 0.030 0.000 1.343 221 I CB -0.374 37.648 38.000 0.037 0.000 1.046 221 I HN 0.222 nan 8.210 nan 0.000 0.405 222 R N 0.638 121.149 120.500 0.018 0.000 2.103 222 R HA -0.224 4.116 4.340 0.001 0.000 0.242 222 R C 2.578 178.884 176.300 0.009 0.000 1.142 222 R CA 2.152 58.258 56.100 0.011 0.000 0.960 222 R CB -0.666 29.638 30.300 0.006 0.000 0.858 222 R HN 0.519 nan 8.270 nan 0.000 0.439 223 E N 1.051 121.257 120.200 0.010 0.000 2.072 223 E HA -0.187 4.163 4.350 0.001 0.000 0.191 223 E C 2.073 178.680 176.600 0.011 0.000 0.985 223 E CA 1.840 58.245 56.400 0.008 0.000 0.801 223 E CB -0.685 29.019 29.700 0.006 0.000 0.750 223 E HN 0.580 nan 8.360 nan 0.000 0.452 224 K N 0.208 120.617 120.400 0.015 0.000 2.296 224 K HA 0.321 4.642 4.320 0.001 0.000 0.200 224 K C 2.349 178.962 176.600 0.022 0.000 1.048 224 K CA 1.105 57.403 56.287 0.019 0.000 0.966 224 K CB -0.381 32.132 32.500 0.021 0.000 0.754 224 K HN 0.336 nan 8.250 nan 0.000 0.466 225 V N -0.709 119.218 119.914 0.022 0.000 2.685 225 V HA 0.259 4.379 4.120 0.001 0.000 0.244 225 V C 1.934 178.038 176.094 0.017 0.000 1.054 225 V CA 0.725 63.040 62.300 0.024 0.000 1.076 225 V CB -0.391 31.449 31.823 0.028 0.000 0.725 225 V HN 0.900 nan 8.190 nan 0.000 0.467 226 G N 0.708 109.515 108.800 0.011 0.000 2.583 226 G HA2 -0.316 3.644 3.960 0.001 0.000 0.292 226 G HA3 -0.316 3.644 3.960 0.001 0.000 0.292 226 G C 0.363 175.264 174.900 0.002 0.000 1.203 226 G CA 0.577 45.681 45.100 0.006 0.000 0.987 226 G HN 0.348 nan 8.290 nan 0.000 0.554 227 Q N 1.121 120.922 119.800 0.002 0.000 2.179 227 Q HA 0.407 4.747 4.340 0.001 0.000 0.213 227 Q C 1.633 177.635 176.000 0.003 0.000 0.833 227 Q CA 0.936 56.737 55.803 -0.002 0.000 0.990 227 Q CB 0.288 29.025 28.738 -0.002 0.000 1.132 227 Q HN 1.023 nan 8.270 nan 0.000 0.493 228 R N 2.957 123.463 120.500 0.009 0.000 2.734 228 R HA 0.232 4.572 4.340 0.001 0.000 0.266 228 R C -2.324 173.977 176.300 0.002 0.000 1.044 228 R CA -1.053 55.055 56.100 0.014 0.000 1.128 228 R CB -1.711 28.602 30.300 0.021 0.000 1.010 228 R HN 0.031 nan 8.270 nan 0.000 0.461 229 P HA 0.175 nan 4.420 nan 0.000 0.267 229 P C -0.774 176.502 177.300 -0.040 0.000 1.209 229 P CA 0.026 63.088 63.100 -0.063 0.000 0.763 229 P CB 1.097 32.731 31.700 -0.110 0.000 0.816 230 V N 5.551 125.441 119.914 -0.041 0.000 2.628 230 V HA 0.411 4.532 4.120 0.001 0.000 0.306 230 V C -1.405 174.706 176.094 0.027 0.000 1.045 230 V CA -1.042 61.270 62.300 0.020 0.000 0.905 230 V CB 1.729 33.572 31.823 0.032 0.000 0.997 230 V HN 0.443 nan 8.190 nan 0.000 0.436 231 Y N 4.957 125.248 120.300 -0.014 0.000 2.331 231 Y HA 0.648 5.199 4.550 0.001 0.000 0.338 231 Y C -0.358 175.613 175.900 0.118 0.000 0.976 231 Y CA -0.510 57.590 58.100 -0.000 0.000 1.137 231 Y CB 1.796 40.268 38.460 0.019 0.000 1.172 231 Y HN 0.440 nan 8.280 nan 0.000 0.478 232 V N 5.785 125.579 119.914 -0.199 0.000 2.311 232 V HA 0.283 4.404 4.120 0.001 0.000 0.275 232 V C -0.185 175.940 176.094 0.051 0.000 1.022 232 V CA -0.521 61.812 62.300 0.055 0.000 0.830 232 V CB 0.910 32.840 31.823 0.179 0.000 1.012 232 V HN 0.780 nan 8.190 nan 0.000 0.452 233 S N 4.726 120.610 115.700 0.307 0.000 2.438 233 S HA 0.658 5.129 4.470 0.001 0.000 0.316 233 S C -0.614 174.253 174.600 0.444 0.000 1.084 233 S CA -0.436 58.055 58.200 0.485 0.000 1.107 233 S CB 1.098 64.812 63.200 0.856 0.000 0.981 233 S HN 0.466 nan 8.310 nan 0.000 0.466 234 V N 5.453 125.533 119.914 0.276 0.000 2.378 234 V HA 0.386 4.507 4.120 0.001 0.000 0.288 234 V C -0.172 175.957 176.094 0.057 0.000 1.016 234 V CA -0.952 61.447 62.300 0.165 0.000 0.840 234 V CB 1.641 33.503 31.823 0.066 0.000 0.994 234 V HN 0.833 nan 8.190 nan 0.000 0.431 235 D N 3.533 123.979 120.400 0.077 0.000 2.280 235 D HA 0.182 4.823 4.640 0.001 0.000 0.243 235 D C 0.861 177.168 176.300 0.011 0.000 1.129 235 D CA -0.389 53.589 54.000 -0.036 0.000 0.848 235 D CB 1.779 42.678 40.800 0.164 0.000 1.107 235 D HN 0.407 nan 8.370 nan 0.000 0.471 236 I N 3.640 124.213 120.570 0.006 0.000 2.423 236 I HA -0.261 3.910 4.170 0.001 0.000 0.254 236 I C 1.413 177.553 176.117 0.039 0.000 1.151 236 I CA 1.360 62.676 61.300 0.027 0.000 1.421 236 I CB -0.202 37.825 38.000 0.044 0.000 1.079 236 I HN 0.453 nan 8.210 nan 0.000 0.431 237 D N -0.723 119.713 120.400 0.060 0.000 2.371 237 D HA -0.116 4.525 4.640 0.001 0.000 0.234 237 D C 1.983 178.283 176.300 0.000 0.000 1.049 237 D CA 0.577 54.615 54.000 0.064 0.000 0.907 237 D CB -0.850 40.032 40.800 0.136 0.000 0.891 237 D HN 0.267 nan 8.370 nan 0.000 0.531 238 V N 0.310 120.205 119.914 -0.031 0.000 2.548 238 V HA -0.066 4.054 4.120 0.001 0.000 0.249 238 V C 1.097 177.126 176.094 -0.108 0.000 1.055 238 V CA 1.225 63.462 62.300 -0.105 0.000 1.065 238 V CB 0.030 31.775 31.823 -0.130 0.000 0.681 238 V HN 0.315 nan 8.190 nan 0.000 0.462 239 V N -0.624 119.254 119.914 -0.059 0.000 2.785 239 V HA 0.371 4.491 4.120 0.001 0.000 0.300 239 V C 0.375 176.509 176.094 0.067 0.000 1.062 239 V CA -0.959 61.317 62.300 -0.039 0.000 1.029 239 V CB 1.074 32.879 31.823 -0.029 0.000 1.024 239 V HN 0.398 nan 8.190 nan 0.000 0.477 240 D N 3.558 124.050 120.400 0.154 0.000 2.472 240 D HA 0.082 4.723 4.640 0.001 0.000 0.237 240 D C -1.632 174.789 176.300 0.202 0.000 1.141 240 D CA -0.868 53.252 54.000 0.200 0.000 0.875 240 D CB 1.790 42.766 40.800 0.294 0.000 1.192 240 D HN 0.433 nan 8.370 nan 0.000 0.450 241 P HA -0.175 nan 4.420 nan 0.000 0.218 241 P C 0.798 178.114 177.300 0.028 0.000 1.146 241 P CA 1.622 64.763 63.100 0.069 0.000 0.820 241 P CB 0.125 31.854 31.700 0.048 0.000 0.778 242 A N -1.705 121.094 122.820 -0.035 0.000 1.933 242 A HA -0.161 4.160 4.320 0.001 0.000 0.218 242 A C 1.731 179.109 177.584 -0.343 0.000 1.175 242 A CA 1.457 53.352 52.037 -0.237 0.000 0.628 242 A CB -1.573 17.179 19.000 -0.413 0.000 0.814 242 A HN 0.153 nan 8.150 nan 0.000 0.444 243 F N -0.976 118.982 119.950 0.013 0.000 2.473 243 F HA 0.399 4.927 4.527 0.001 0.000 0.294 243 F C 1.391 177.202 175.800 0.018 0.000 1.103 243 F CA 0.760 58.767 58.000 0.012 0.000 1.442 243 F CB 0.259 39.261 39.000 0.003 0.000 1.097 243 F HN 0.182 nan 8.300 nan 0.000 0.547 244 A N 0.712 123.637 122.820 0.176 0.000 3.216 244 A HA 0.394 4.715 4.320 0.001 0.000 0.321 244 A C -1.927 175.715 177.584 0.096 0.000 1.042 244 A CA -0.859 51.252 52.037 0.124 0.000 0.838 244 A CB -0.108 18.963 19.000 0.118 0.000 1.136 244 A HN -0.061 nan 8.150 nan 0.000 0.483 245 P HA -0.036 nan 4.420 nan 0.000 0.225 245 P C 1.025 178.400 177.300 0.126 0.000 1.156 245 P CA 1.086 64.238 63.100 0.087 0.000 0.787 245 P CB 0.153 31.895 31.700 0.069 0.000 0.802 246 G N -0.083 108.796 108.800 0.132 0.000 3.101 246 G HA2 0.290 4.251 3.960 0.001 0.000 0.272 246 G HA3 0.290 4.251 3.960 0.001 0.000 0.272 246 G C -0.426 174.560 174.900 0.144 0.000 0.801 246 G CA 0.188 45.393 45.100 0.175 0.000 1.978 246 G HN 0.214 nan 8.290 nan 0.000 0.591 247 T N -0.672 113.942 114.554 0.101 0.000 2.853 247 T HA 0.519 4.869 4.350 0.001 0.000 0.311 247 T C 1.455 176.139 174.700 -0.026 0.000 1.307 247 T CA 0.393 62.532 62.100 0.065 0.000 1.019 247 T CB 1.321 70.237 68.868 0.080 0.000 1.264 247 T HN 0.227 nan 8.240 nan 0.000 0.497 248 G N 0.865 109.676 108.800 0.018 0.000 2.422 248 G HA2 0.098 4.059 3.960 0.001 0.000 0.218 248 G HA3 0.098 4.059 3.960 0.001 0.000 0.218 248 G C 0.664 175.598 174.900 0.057 0.000 1.140 248 G CA 1.248 46.349 45.100 0.002 0.000 0.775 248 G HN 1.054 nan 8.290 nan 0.000 0.545 249 T N -0.507 114.095 114.554 0.080 0.000 3.317 249 T HA 0.558 4.908 4.350 0.001 0.000 0.361 249 T C -3.060 171.712 174.700 0.119 0.000 1.499 249 T CA -1.762 60.373 62.100 0.060 0.000 1.529 249 T CB 2.200 71.043 68.868 -0.041 0.000 0.997 249 T HN -0.106 nan 8.240 nan 0.000 0.624 250 P HA 0.467 nan 4.420 nan 0.000 0.269 250 P C -0.634 176.714 177.300 0.081 0.000 1.209 250 P CA -0.232 62.912 63.100 0.074 0.000 0.776 250 P CB 0.462 32.189 31.700 0.045 0.000 0.876 251 A N 3.734 126.588 122.820 0.056 0.000 2.522 251 A HA 0.568 4.889 4.320 0.001 0.000 0.285 251 A C -2.679 174.909 177.584 0.006 0.000 1.198 251 A CA -1.657 50.395 52.037 0.024 0.000 0.742 251 A CB 0.429 19.396 19.000 -0.055 0.000 1.176 251 A HN 0.308 nan 8.150 nan 0.000 0.444 252 P HA 0.255 nan 4.420 nan 0.000 0.267 252 P C 1.048 178.353 177.300 0.008 0.000 1.195 252 P CA 1.983 65.097 63.100 0.022 0.000 0.773 252 P CB 0.552 32.269 31.700 0.028 0.000 0.837 253 G N 0.639 109.454 108.800 0.025 0.000 2.256 253 G HA2 -0.059 3.902 3.960 0.001 0.000 0.272 253 G HA3 -0.059 3.902 3.960 0.001 0.000 0.272 253 G C 0.503 175.410 174.900 0.012 0.000 1.076 253 G CA -0.230 44.883 45.100 0.022 0.000 0.882 253 G HN 0.857 nan 8.290 nan 0.000 0.497 254 G N -1.391 107.425 108.800 0.028 0.000 2.557 254 G HA2 0.750 4.711 3.960 0.001 0.000 0.302 254 G HA3 0.750 4.711 3.960 0.001 0.000 0.302 254 G C 0.235 175.130 174.900 -0.007 0.000 1.311 254 G CA -1.011 44.084 45.100 -0.008 0.000 1.030 254 G HN 0.510 nan 8.290 nan 0.000 0.509 255 L N -0.620 120.544 121.223 -0.098 0.000 2.472 255 L HA 0.281 4.622 4.340 0.001 0.000 0.260 255 L C 0.743 177.467 176.870 -0.243 0.000 1.209 255 L CA 0.100 54.846 54.840 -0.157 0.000 0.817 255 L CB 0.552 42.417 42.059 -0.323 0.000 1.106 255 L HN 0.257 nan 8.230 nan 0.000 0.479 256 L N 0.388 121.417 121.223 -0.324 0.000 2.418 256 L HA 0.234 4.575 4.340 0.001 0.000 0.265 256 L C 1.520 177.940 176.870 -0.749 0.000 1.143 256 L CA -0.260 54.113 54.840 -0.777 0.000 0.809 256 L CB 0.797 42.604 42.059 -0.419 0.000 1.124 256 L HN 0.675 nan 8.230 nan 0.000 0.456 257 S N 0.723 115.764 115.700 -1.099 0.000 2.359 257 S HA -0.197 4.274 4.470 0.001 0.000 0.224 257 S C 1.883 176.326 174.600 -0.262 0.000 1.035 257 S CA 1.853 59.765 58.200 -0.481 0.000 1.018 257 S CB -0.270 62.774 63.200 -0.260 0.000 0.876 257 S HN 0.717 nan 8.310 nan 0.000 0.448 258 R N 1.525 121.888 120.500 -0.230 0.000 2.120 258 R HA -0.061 4.280 4.340 0.001 0.000 0.234 258 R C 1.717 177.969 176.300 -0.079 0.000 1.123 258 R CA 1.606 57.639 56.100 -0.112 0.000 0.975 258 R CB -0.580 29.677 30.300 -0.071 0.000 0.866 258 R HN 0.443 nan 8.270 nan 0.000 0.446 259 E N 1.073 121.218 120.200 -0.092 0.000 2.051 259 E HA -0.126 4.225 4.350 0.001 0.000 0.192 259 E C 2.174 178.761 176.600 -0.022 0.000 0.991 259 E CA 1.519 57.929 56.400 0.016 0.000 0.799 259 E CB -0.045 29.708 29.700 0.088 0.000 0.748 259 E HN 0.156 nan 8.360 nan 0.000 0.449 260 V N 1.640 121.476 119.914 -0.130 0.000 2.307 260 V HA -0.242 3.879 4.120 0.001 0.000 0.245 260 V C 2.342 178.393 176.094 -0.071 0.000 1.045 260 V CA 1.437 63.656 62.300 -0.136 0.000 1.024 260 V CB -0.412 31.314 31.823 -0.161 0.000 0.651 260 V HN 0.249 nan 8.190 nan 0.000 0.449 261 L N -0.016 121.168 121.223 -0.066 0.000 2.046 261 L HA -0.161 4.180 4.340 0.001 0.000 0.208 261 L C 2.716 179.575 176.870 -0.019 0.000 1.077 261 L CA 1.578 56.393 54.840 -0.041 0.000 0.747 261 L CB -0.797 41.234 42.059 -0.046 0.000 0.896 261 L HN 0.368 nan 8.230 nan 0.000 0.432 262 A N -0.027 122.787 122.820 -0.010 0.000 1.898 262 A HA -0.215 4.106 4.320 0.001 0.000 0.216 262 A C 2.203 179.805 177.584 0.030 0.000 1.181 262 A CA 1.547 53.591 52.037 0.011 0.000 0.620 262 A CB -0.670 18.341 19.000 0.020 0.000 0.819 262 A HN 0.312 nan 8.150 nan 0.000 0.442 263 L N -0.010 121.239 121.223 0.044 0.000 2.012 263 L HA -0.108 4.233 4.340 0.001 0.000 0.210 263 L C 2.144 179.035 176.870 0.035 0.000 1.073 263 L CA 1.703 56.580 54.840 0.061 0.000 0.748 263 L CB -0.537 41.564 42.059 0.069 0.000 0.891 263 L HN 0.401 nan 8.230 nan 0.000 0.431 264 L N -0.466 120.765 121.223 0.013 0.000 2.447 264 L HA -0.223 4.118 4.340 0.001 0.000 0.225 264 L C 2.965 179.852 176.870 0.027 0.000 1.148 264 L CA 1.045 55.893 54.840 0.013 0.000 0.808 264 L CB -0.934 41.120 42.059 -0.008 0.000 0.928 264 L HN 0.408 nan 8.230 nan 0.000 0.448 265 R N 0.249 120.769 120.500 0.033 0.000 2.193 265 R HA -0.195 4.145 4.340 0.001 0.000 0.229 265 R C 2.196 178.519 176.300 0.038 0.000 1.110 265 R CA 1.554 57.683 56.100 0.048 0.000 0.988 265 R CB -2.189 28.138 30.300 0.044 0.000 0.871 265 R HN 0.781 nan 8.270 nan 0.000 0.458 266 C N -1.315 118.004 119.300 0.031 0.000 2.472 266 C HA 0.137 4.598 4.460 0.001 0.000 0.278 266 C C 2.246 177.244 174.990 0.014 0.000 1.447 266 C CA 0.347 59.378 59.018 0.021 0.000 1.773 266 C CB -1.117 26.638 27.740 0.026 0.000 1.793 266 C HN 0.347 nan 8.230 nan 0.000 0.544 267 V N 2.250 122.178 119.914 0.025 0.000 2.469 267 V HA -0.055 4.065 4.120 0.001 0.000 0.251 267 V C 2.950 179.036 176.094 -0.013 0.000 1.064 267 V CA 2.293 64.611 62.300 0.030 0.000 1.066 267 V CB -1.443 30.422 31.823 0.070 0.000 0.667 267 V HN 0.718 nan 8.190 nan 0.000 0.461 268 G N -0.540 108.242 108.800 -0.030 0.000 2.498 268 G HA2 -0.177 3.784 3.960 0.001 0.000 0.219 268 G HA3 -0.177 3.784 3.960 0.001 0.000 0.219 268 G C 0.977 175.814 174.900 -0.105 0.000 1.119 268 G CA 0.732 45.776 45.100 -0.093 0.000 0.766 268 G HN 0.545 nan 8.290 nan 0.000 0.552 269 D N -0.124 120.239 120.400 -0.062 0.000 2.340 269 D HA 0.207 4.847 4.640 0.001 0.000 0.217 269 D C 1.127 177.391 176.300 -0.060 0.000 1.081 269 D CA 0.114 54.080 54.000 -0.057 0.000 0.842 269 D CB 0.697 41.480 40.800 -0.028 0.000 0.934 269 D HN 0.296 nan 8.370 nan 0.000 0.511 270 L N -0.432 120.746 121.223 -0.075 0.000 2.343 270 L HA 0.602 4.942 4.340 0.001 0.000 0.264 270 L C 0.780 177.579 176.870 -0.118 0.000 1.050 270 L CA -1.043 53.758 54.840 -0.065 0.000 0.956 270 L CB 0.599 42.642 42.059 -0.026 0.000 1.576 270 L HN -0.375 nan 8.230 nan 0.000 0.521 271 K N 1.461 121.812 120.400 -0.082 0.000 2.682 271 K HA 0.434 4.754 4.320 0.001 0.000 0.189 271 K C -2.746 173.819 176.600 -0.058 0.000 1.062 271 K CA -1.624 54.615 56.287 -0.079 0.000 0.997 271 K CB -0.233 32.259 32.500 -0.013 0.000 1.405 271 K HN 0.341 nan 8.250 nan 0.000 0.588 272 P HA 0.087 nan 4.420 nan 0.000 0.271 272 P C 0.531 177.789 177.300 -0.070 0.000 1.220 272 P CA 0.045 63.114 63.100 -0.053 0.000 0.768 272 P CB 1.488 33.247 31.700 0.098 0.000 0.848 273 V N 0.239 120.001 119.914 -0.253 0.000 3.380 273 V HA 0.665 4.785 4.120 0.001 0.000 0.307 273 V C 0.476 176.286 176.094 -0.472 0.000 1.434 273 V CA 0.185 62.287 62.300 -0.329 0.000 1.075 273 V CB -0.074 31.354 31.823 -0.659 0.000 0.954 273 V HN 0.780 nan 8.190 nan 0.000 0.444 274 G N 0.668 108.999 108.800 -0.781 0.000 2.376 274 G HA2 0.537 4.498 3.960 0.001 0.000 0.302 274 G HA3 0.537 4.498 3.960 0.001 0.000 0.302 274 G C -1.519 172.566 174.900 -1.358 0.000 1.586 274 G CA -0.244 44.229 45.100 -1.045 0.000 0.907 274 G HN 0.641 nan 8.290 nan 0.000 0.655 275 F N -0.344 119.240 119.950 -0.611 0.000 2.713 275 F HA 0.863 5.390 4.527 0.001 0.000 0.311 275 F C -0.937 174.758 175.800 -0.175 0.000 1.141 275 F CA -1.598 56.047 58.000 -0.592 0.000 0.939 275 F CB 1.695 40.527 39.000 -0.280 0.000 1.325 275 F HN 0.759 nan 8.300 nan 0.000 0.453 276 D N -1.184 119.316 120.400 0.167 0.000 2.583 276 D HA 0.671 5.312 4.640 0.001 0.000 0.248 276 D C -1.884 174.486 176.300 0.117 0.000 1.209 276 D CA -0.804 53.316 54.000 0.201 0.000 0.848 276 D CB 2.173 43.161 40.800 0.315 0.000 1.431 276 D HN 0.480 nan 8.370 nan 0.000 0.436 277 V N 1.010 120.956 119.914 0.054 0.000 2.419 277 V HA 0.486 4.607 4.120 0.001 0.000 0.287 277 V C -0.553 175.537 176.094 -0.006 0.000 1.017 277 V CA -0.562 61.746 62.300 0.013 0.000 0.844 277 V CB 0.866 32.688 31.823 -0.002 0.000 1.011 277 V HN 0.581 nan 8.190 nan 0.000 0.429 278 M N 2.032 121.594 119.600 -0.063 0.000 2.821 278 M HA 0.704 5.185 4.480 0.001 0.000 0.304 278 M C 0.638 176.909 176.300 -0.048 0.000 1.233 278 M CA -0.589 54.664 55.300 -0.078 0.000 0.851 278 M CB 1.131 33.620 32.600 -0.184 0.000 1.723 278 M HN 0.556 nan 8.290 nan 0.000 0.493 279 E N -1.247 118.961 120.200 0.013 0.000 3.801 279 E HA -0.117 4.234 4.350 0.001 0.000 0.319 279 E C -0.724 175.921 176.600 0.076 0.000 0.784 279 E CA 0.328 56.768 56.400 0.067 0.000 1.183 279 E CB -2.153 27.598 29.700 0.086 0.000 1.601 279 E HN 0.522 nan 8.360 nan 0.000 0.441 280 V N 1.616 121.570 119.914 0.068 0.000 2.479 280 V HA 0.148 4.268 4.120 0.001 0.000 0.281 280 V C 0.867 177.029 176.094 0.114 0.000 1.031 280 V CA 0.741 63.094 62.300 0.089 0.000 1.038 280 V CB 1.432 33.306 31.823 0.085 0.000 0.981 280 V HN 0.190 nan 8.190 nan 0.000 0.478 281 S N 7.018 122.806 115.700 0.148 0.000 2.532 281 S HA 0.432 4.902 4.470 0.001 0.000 0.256 281 S C -1.439 173.304 174.600 0.238 0.000 1.298 281 S CA -1.426 56.900 58.200 0.210 0.000 1.166 281 S CB 1.245 64.591 63.200 0.245 0.000 1.022 281 S HN 0.565 nan 8.310 nan 0.000 0.480 282 P HA -0.184 nan 4.420 nan 0.000 0.218 282 P C 1.450 178.792 177.300 0.069 0.000 1.154 282 P CA 0.979 64.153 63.100 0.123 0.000 0.872 282 P CB 0.081 31.847 31.700 0.110 0.000 0.790 283 L N -2.721 118.529 121.223 0.044 0.000 2.127 283 L HA -0.175 4.166 4.340 0.001 0.000 0.211 283 L C 1.985 178.710 176.870 -0.241 0.000 1.089 283 L CA 1.951 56.705 54.840 -0.144 0.000 0.757 283 L CB -2.119 39.791 42.059 -0.249 0.000 0.899 283 L HN 0.127 nan 8.230 nan 0.000 0.434 284 Y N -0.941 119.382 120.300 0.037 0.000 2.466 284 Y HA 0.130 4.681 4.550 0.001 0.000 0.272 284 Y C 1.056 176.975 175.900 0.033 0.000 1.169 284 Y CA -0.985 57.137 58.100 0.037 0.000 1.285 284 Y CB -0.115 38.379 38.460 0.056 0.000 1.078 284 Y HN 0.087 nan 8.280 nan 0.000 0.523 285 D N 0.342 120.820 120.400 0.130 0.000 2.339 285 D HA 0.226 4.867 4.640 0.001 0.000 0.245 285 D C -0.192 176.135 176.300 0.045 0.000 1.115 285 D CA 0.289 54.343 54.000 0.091 0.000 0.917 285 D CB 0.597 41.444 40.800 0.077 0.000 1.192 285 D HN 0.424 nan 8.370 nan 0.000 0.428 286 H N -0.589 118.503 119.070 0.036 0.000 2.646 286 H HA 0.556 5.112 4.556 0.001 0.000 0.328 286 H C 1.120 176.452 175.328 0.007 0.000 0.998 286 H CA -0.573 55.483 56.048 0.013 0.000 1.225 286 H CB 1.047 30.815 29.762 0.009 0.000 1.457 286 H HN 0.739 nan 8.280 nan 0.000 0.505 287 G N 0.794 109.593 108.800 -0.001 0.000 2.187 287 G HA2 0.073 4.034 3.960 0.001 0.000 0.261 287 G HA3 0.073 4.034 3.960 0.001 0.000 0.261 287 G C 2.023 176.927 174.900 0.006 0.000 1.000 287 G CA 1.572 46.670 45.100 -0.003 0.000 0.718 287 G HN 2.561 nan 8.290 nan 0.000 0.519 288 G N -0.365 108.443 108.800 0.014 0.000 2.180 288 G HA2 -0.322 3.639 3.960 0.001 0.000 0.263 288 G HA3 -0.322 3.639 3.960 0.001 0.000 0.263 288 G C 1.382 176.303 174.900 0.035 0.000 0.989 288 G CA 1.364 46.479 45.100 0.025 0.000 0.692 288 G HN 2.061 nan 8.290 nan 0.000 0.526 289 I N -2.477 118.114 120.570 0.034 0.000 2.454 289 I HA -0.069 4.102 4.170 0.001 0.000 0.254 289 I C 2.213 178.368 176.117 0.064 0.000 1.156 289 I CA 2.086 63.412 61.300 0.044 0.000 1.433 289 I CB -0.790 37.232 38.000 0.037 0.000 1.082 289 I HN 0.060 nan 8.210 nan 0.000 0.432 290 T N 0.706 115.301 114.554 0.069 0.000 2.770 290 T HA -0.080 4.270 4.350 0.001 0.000 0.263 290 T C 2.102 176.850 174.700 0.080 0.000 1.039 290 T CA 1.786 63.935 62.100 0.083 0.000 1.142 290 T CB -0.224 68.698 68.868 0.090 0.000 0.868 290 T HN 0.424 nan 8.240 nan 0.000 0.435 291 S N 1.140 116.886 115.700 0.077 0.000 2.382 291 S HA 0.038 4.509 4.470 0.001 0.000 0.228 291 S C 2.044 176.691 174.600 0.078 0.000 1.027 291 S CA 0.766 59.017 58.200 0.084 0.000 0.991 291 S CB -0.402 62.846 63.200 0.079 0.000 0.823 291 S HN 0.394 nan 8.310 nan 0.000 0.469 292 I N 0.956 121.560 120.570 0.056 0.000 2.226 292 I HA -0.171 3.999 4.170 0.001 0.000 0.245 292 I C 2.286 178.428 176.117 0.042 0.000 1.100 292 I CA 0.774 62.096 61.300 0.036 0.000 1.374 292 I CB -0.269 37.745 38.000 0.023 0.000 1.057 292 I HN 0.250 nan 8.210 nan 0.000 0.413 293 L N 1.265 122.522 121.223 0.056 0.000 2.017 293 L HA -0.126 4.215 4.340 0.001 0.000 0.208 293 L C 2.583 179.488 176.870 0.058 0.000 1.073 293 L CA 2.162 57.035 54.840 0.054 0.000 0.745 293 L CB -0.861 41.242 42.059 0.073 0.000 0.894 293 L HN 0.172 nan 8.230 nan 0.000 0.432 294 A N -1.377 121.488 122.820 0.076 0.000 1.948 294 A HA -0.244 4.077 4.320 0.001 0.000 0.220 294 A C 2.270 179.940 177.584 0.143 0.000 1.177 294 A CA 2.488 54.579 52.037 0.090 0.000 0.636 294 A CB -1.319 17.739 19.000 0.096 0.000 0.815 294 A HN 0.558 nan 8.150 nan 0.000 0.449 295 T N -0.669 113.983 114.554 0.164 0.000 2.708 295 T HA -0.126 4.224 4.350 0.001 0.000 0.266 295 T C 1.925 176.707 174.700 0.136 0.000 1.037 295 T CA 1.673 63.906 62.100 0.222 0.000 1.146 295 T CB -0.255 68.642 68.868 0.049 0.000 0.865 295 T HN 0.607 nan 8.240 nan 0.000 0.435 296 E N 1.079 121.307 120.200 0.047 0.000 2.118 296 E HA -0.078 4.272 4.350 0.001 0.000 0.195 296 E C 1.944 178.557 176.600 0.021 0.000 0.992 296 E CA 1.059 57.463 56.400 0.007 0.000 0.804 296 E CB -0.559 29.133 29.700 -0.013 0.000 0.741 296 E HN 0.547 nan 8.360 nan 0.000 0.458 297 I N -0.391 120.199 120.570 0.034 0.000 2.252 297 I HA -0.159 4.012 4.170 0.001 0.000 0.245 297 I C 2.336 178.451 176.117 -0.003 0.000 1.102 297 I CA 1.151 62.454 61.300 0.005 0.000 1.385 297 I CB -0.580 37.421 38.000 0.002 0.000 1.064 297 I HN 0.258 nan 8.210 nan 0.000 0.414 298 G N 0.497 109.345 108.800 0.080 0.000 2.418 298 G HA2 -0.226 3.735 3.960 0.001 0.000 0.217 298 G HA3 -0.226 3.735 3.960 0.001 0.000 0.217 298 G C 1.865 176.832 174.900 0.111 0.000 1.158 298 G CA 0.813 45.962 45.100 0.082 0.000 0.771 298 G HN 0.484 nan 8.290 nan 0.000 0.545 299 A N 0.732 123.651 122.820 0.164 0.000 1.902 299 A HA -0.022 4.299 4.320 0.001 0.000 0.217 299 A C 2.185 179.783 177.584 0.023 0.000 1.181 299 A CA 2.217 54.303 52.037 0.081 0.000 0.623 299 A CB -0.409 18.586 19.000 -0.008 0.000 0.818 299 A HN 0.374 nan 8.150 nan 0.000 0.443 300 E N 0.226 120.425 120.200 -0.002 0.000 2.077 300 E HA -0.122 4.229 4.350 0.001 0.000 0.193 300 E C 1.841 178.438 176.600 -0.006 0.000 0.989 300 E CA 1.227 57.635 56.400 0.013 0.000 0.800 300 E CB -0.396 29.297 29.700 -0.011 0.000 0.746 300 E HN 0.614 nan 8.360 nan 0.000 0.452 301 L N -0.215 120.914 121.223 -0.158 0.000 2.056 301 L HA -0.155 4.185 4.340 0.001 0.000 0.207 301 L C 2.531 179.203 176.870 -0.331 0.000 1.078 301 L CA 0.924 55.515 54.840 -0.415 0.000 0.749 301 L CB -0.485 41.013 42.059 -0.935 0.000 0.901 301 L HN 0.193 nan 8.230 nan 0.000 0.433 302 L N -1.377 119.735 121.223 -0.186 0.000 2.042 302 L HA -0.283 4.058 4.340 0.001 0.000 0.210 302 L C 2.676 179.646 176.870 0.167 0.000 1.076 302 L CA 1.491 56.365 54.840 0.057 0.000 0.749 302 L CB -0.695 41.456 42.059 0.153 0.000 0.893 302 L HN 0.228 nan 8.230 nan 0.000 0.432 303 Y N 0.633 120.937 120.300 0.007 0.000 2.200 303 Y HA -0.244 4.306 4.550 0.001 0.000 0.290 303 Y C 2.733 178.665 175.900 0.054 0.000 1.137 303 Y CA 1.409 59.517 58.100 0.012 0.000 1.163 303 Y CB -0.099 38.333 38.460 -0.045 0.000 0.988 303 Y HN 0.151 nan 8.280 nan 0.000 0.518 304 Q N -0.849 118.944 119.800 -0.011 0.000 2.167 304 Q HA -0.224 4.117 4.340 0.001 0.000 0.202 304 Q C 2.056 178.025 176.000 -0.053 0.000 0.970 304 Q CA 1.654 57.410 55.803 -0.079 0.000 0.855 304 Q CB -0.941 27.815 28.738 0.031 0.000 0.911 304 Q HN 0.731 nan 8.270 nan 0.000 0.438 305 Y N 1.099 121.402 120.300 0.004 0.000 2.145 305 Y HA -0.227 4.323 4.550 0.001 0.000 0.286 305 Y C 2.240 178.132 175.900 -0.014 0.000 1.145 305 Y CA 1.764 59.927 58.100 0.106 0.000 1.148 305 Y CB -0.332 38.346 38.460 0.362 0.000 0.981 305 Y HN 0.102 nan 8.280 nan 0.000 0.507 306 A N 0.589 123.486 122.820 0.128 0.000 1.883 306 A HA -0.263 4.058 4.320 0.001 0.000 0.217 306 A C 2.356 179.818 177.584 -0.203 0.000 1.186 306 A CA 2.055 54.093 52.037 0.003 0.000 0.624 306 A CB -0.914 18.072 19.000 -0.023 0.000 0.822 306 A HN 0.562 nan 8.150 nan 0.000 0.444 307 R N -0.495 119.772 120.500 -0.388 0.000 2.096 307 R HA -0.093 4.248 4.340 0.001 0.000 0.235 307 R C 2.137 178.270 176.300 -0.278 0.000 1.127 307 R CA 1.379 57.269 56.100 -0.350 0.000 0.968 307 R CB -0.364 29.687 30.300 -0.414 0.000 0.861 307 R HN 0.454 nan 8.270 nan 0.000 0.440 308 A N 0.264 122.854 122.820 -0.382 0.000 2.119 308 A HA -0.026 4.295 4.320 0.001 0.000 0.217 308 A C 0.213 177.419 177.584 -0.631 0.000 1.153 308 A CA 0.803 52.529 52.037 -0.518 0.000 0.692 308 A CB -0.194 18.401 19.000 -0.675 0.000 0.799 308 A HN 0.326 nan 8.150 nan 0.000 0.458 309 H N 0.000 118.927 119.070 -0.238 0.000 2.539 309 H HA 0.000 4.557 4.556 0.001 0.000 0.296 309 H CA 0.000 55.930 56.048 -0.197 0.000 1.023 309 H CB 0.000 29.585 29.762 -0.295 0.000 1.292 309 H HN 0.000 nan 8.280 nan 0.000 0.496