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 2ze2_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGI DATA SEQUENCE KKNKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FAAQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LV 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.246 177.300 -0.091 0.000 1.155 1 P CA 0.000 63.064 63.100 -0.061 0.000 0.800 1 P CB 0.000 31.662 31.700 -0.063 0.000 0.726 2 I N 0.757 121.280 120.570 -0.080 0.000 2.823 2 I HA 0.234 4.399 4.170 -0.008 0.000 0.290 2 I C 0.665 176.685 176.117 -0.162 0.000 1.091 2 I CA 0.025 61.260 61.300 -0.110 0.000 1.365 2 I CB 1.063 39.037 38.000 -0.043 0.000 1.427 2 I HN 0.256 nan 8.210 nan 0.000 0.583 3 S N 5.790 121.314 115.700 -0.293 0.000 2.489 3 S HA 0.397 4.862 4.470 -0.008 0.000 0.291 3 S C -2.285 172.226 174.600 -0.148 0.000 1.151 3 S CA -1.118 56.861 58.200 -0.367 0.000 1.082 3 S CB 1.273 63.959 63.200 -0.855 0.000 1.019 3 S HN 0.420 nan 8.310 nan 0.000 0.492 4 P HA 0.324 nan 4.420 nan 0.000 0.278 4 P C -0.849 176.604 177.300 0.254 0.000 1.238 4 P CA -0.466 62.703 63.100 0.115 0.000 0.794 4 P CB 0.614 32.352 31.700 0.064 0.000 0.955 5 I N 1.865 122.582 120.570 0.244 0.000 2.294 5 I HA 0.077 4.242 4.170 -0.008 0.000 0.295 5 I C 1.135 177.322 176.117 0.117 0.000 1.098 5 I CA -0.465 60.952 61.300 0.195 0.000 1.277 5 I CB -0.118 37.950 38.000 0.113 0.000 1.434 5 I HN 0.373 nan 8.210 nan 0.000 0.498 6 E N 5.255 125.525 120.200 0.116 0.000 2.708 6 E HA -0.056 4.289 4.350 -0.008 0.000 0.260 6 E C -0.318 176.317 176.600 0.058 0.000 0.937 6 E CA 0.558 57.006 56.400 0.079 0.000 0.953 6 E CB 0.473 30.218 29.700 0.076 0.000 0.915 6 E HN 0.476 nan 8.360 nan 0.000 0.487 7 T N 3.140 117.725 114.554 0.052 0.000 2.868 7 T HA 0.270 4.615 4.350 -0.008 0.000 0.292 7 T C -0.411 174.321 174.700 0.052 0.000 1.028 7 T CA -0.615 61.513 62.100 0.046 0.000 1.059 7 T CB 0.915 69.808 68.868 0.043 0.000 0.991 7 T HN 0.280 nan 8.240 nan 0.000 0.531 8 V N 4.832 124.783 119.914 0.061 0.000 2.328 8 V HA 0.258 4.373 4.120 -0.008 0.000 0.278 8 V C -2.121 174.028 176.094 0.093 0.000 1.021 8 V CA -2.030 60.321 62.300 0.084 0.000 0.838 8 V CB 1.044 32.937 31.823 0.117 0.000 0.999 8 V HN 0.724 nan 8.190 nan 0.000 0.447 9 P HA 0.022 nan 4.420 nan 0.000 0.255 9 P C -0.735 176.606 177.300 0.068 0.000 1.173 9 P CA 0.604 63.745 63.100 0.068 0.000 0.780 9 P CB 0.214 31.944 31.700 0.051 0.000 0.758 10 V N 5.372 125.320 119.914 0.057 0.000 2.588 10 V HA 0.482 4.597 4.120 -0.008 0.000 0.304 10 V C 0.254 176.379 176.094 0.052 0.000 1.042 10 V CA -0.462 61.819 62.300 -0.031 0.000 0.877 10 V CB 1.881 33.598 31.823 -0.177 0.000 0.996 10 V HN 0.485 nan 8.190 nan 0.000 0.425 11 K N 4.453 124.922 120.400 0.116 0.000 2.433 11 K HA 0.797 5.112 4.320 -0.008 0.000 0.252 11 K C -1.213 175.637 176.600 0.417 0.000 1.015 11 K CA -0.996 55.534 56.287 0.404 0.000 0.860 11 K CB 2.159 34.802 32.500 0.238 0.000 1.359 11 K HN 0.392 nan 8.250 nan 0.000 0.452 12 L N 1.320 122.831 121.223 0.481 0.000 2.475 12 L HA 0.279 4.614 4.340 -0.008 0.000 0.253 12 L C 0.423 177.372 176.870 0.132 0.000 1.198 12 L CA -0.749 54.264 54.840 0.288 0.000 0.814 12 L CB 0.472 42.601 42.059 0.116 0.000 1.134 12 L HN 0.602 nan 8.230 nan 0.000 0.478 13 K N 1.759 122.208 120.400 0.083 0.000 2.414 13 K HA 0.086 4.401 4.320 -0.008 0.000 0.272 13 K C -2.153 174.472 176.600 0.042 0.000 0.993 13 K CA -1.270 55.042 56.287 0.042 0.000 0.964 13 K CB -0.037 32.483 32.500 0.033 0.000 0.925 13 K HN 0.343 nan 8.250 nan 0.000 0.487 14 P HA -0.125 nan 4.420 nan 0.000 0.261 14 P C 0.584 177.903 177.300 0.033 0.000 1.183 14 P CA 0.801 63.921 63.100 0.033 0.000 0.761 14 P CB 0.550 32.264 31.700 0.024 0.000 0.785 15 G N 2.569 111.392 108.800 0.037 0.000 2.234 15 G HA2 -0.287 3.668 3.960 -0.008 0.000 0.260 15 G HA3 -0.287 3.668 3.960 -0.008 0.000 0.260 15 G C 0.249 175.169 174.900 0.034 0.000 0.987 15 G CA 0.182 45.303 45.100 0.035 0.000 0.625 15 G HN 0.499 nan 8.290 nan 0.000 0.532 16 M N 0.475 120.093 119.600 0.031 0.000 2.359 16 M HA 0.528 5.003 4.480 -0.008 0.000 0.322 16 M C -0.050 176.250 176.300 0.001 0.000 1.166 16 M CA -0.492 54.821 55.300 0.022 0.000 1.067 16 M CB 1.238 33.851 32.600 0.021 0.000 1.523 16 M HN 0.200 nan 8.290 nan 0.000 0.467 17 D N 0.126 120.523 120.400 -0.005 0.000 2.553 17 D HA 0.547 5.182 4.640 -0.008 0.000 0.249 17 D C -0.325 175.919 176.300 -0.092 0.000 1.062 17 D CA -0.233 53.747 54.000 -0.034 0.000 1.085 17 D CB 1.684 42.529 40.800 0.075 0.000 1.350 17 D HN 0.679 nan 8.370 nan 0.000 0.575 18 G N -0.065 108.652 108.800 -0.137 0.000 2.683 18 G HA2 0.373 4.328 3.960 -0.008 0.000 0.260 18 G HA3 0.373 4.328 3.960 -0.008 0.000 0.260 18 G C -2.406 172.622 174.900 0.213 0.000 1.238 18 G CA -0.748 44.266 45.100 -0.143 0.000 0.934 18 G HN 0.325 nan 8.290 nan 0.000 0.534 19 P HA 0.269 nan 4.420 nan 0.000 0.276 19 P C -0.527 176.922 177.300 0.247 0.000 1.243 19 P CA 0.125 63.374 63.100 0.249 0.000 0.768 19 P CB 0.724 32.586 31.700 0.269 0.000 0.856 20 K N 1.887 122.378 120.400 0.151 0.000 3.271 20 K HA 0.246 4.561 4.320 -0.008 0.000 0.192 20 K C -0.894 175.762 176.600 0.093 0.000 1.108 20 K CA -0.343 55.995 56.287 0.085 0.000 0.902 20 K CB 0.778 33.298 32.500 0.034 0.000 0.889 20 K HN 0.180 nan 8.250 nan 0.000 0.520 21 V N 2.666 122.660 119.914 0.133 0.000 2.461 21 V HA 0.077 4.192 4.120 -0.008 0.000 0.275 21 V C 0.409 176.582 176.094 0.132 0.000 1.047 21 V CA -0.749 61.640 62.300 0.149 0.000 0.955 21 V CB 0.492 32.427 31.823 0.187 0.000 0.988 21 V HN 0.442 nan 8.190 nan 0.000 0.471 22 K N 3.826 124.290 120.400 0.106 0.000 2.380 22 K HA 0.176 4.491 4.320 -0.008 0.000 0.267 22 K C -0.112 176.548 176.600 0.100 0.000 0.990 22 K CA -0.300 56.010 56.287 0.039 0.000 0.946 22 K CB 0.596 33.048 32.500 -0.081 0.000 0.937 22 K HN 0.538 nan 8.250 nan 0.000 0.491 23 Q N 2.700 122.521 119.800 0.035 0.000 2.296 23 Q HA 0.198 4.533 4.340 -0.008 0.000 0.257 23 Q C -1.793 174.228 176.000 0.035 0.000 0.942 23 Q CA -0.203 55.641 55.803 0.067 0.000 0.939 23 Q CB 0.566 29.317 28.738 0.021 0.000 1.198 23 Q HN 0.573 nan 8.270 nan 0.000 0.429 24 W N 6.452 127.664 121.300 -0.146 0.000 2.287 24 W HA 0.342 4.997 4.660 -0.008 0.000 0.313 24 W C -1.724 174.730 176.519 -0.108 0.000 1.267 24 W CA -1.978 55.298 57.345 -0.115 0.000 1.201 24 W CB 0.432 29.815 29.460 -0.128 0.000 1.196 24 W HN 0.563 nan 8.180 nan 0.000 0.536 25 P HA -0.013 nan 4.420 nan 0.000 0.261 25 P C -0.188 177.156 177.300 0.073 0.000 1.183 25 P CA 0.597 63.726 63.100 0.049 0.000 0.761 25 P CB 0.897 32.609 31.700 0.021 0.000 0.785 26 L N 2.567 123.805 121.223 0.025 0.000 2.994 26 L HA 0.493 4.828 4.340 -0.008 0.000 0.198 26 L C 0.983 177.857 176.870 0.007 0.000 1.530 26 L CA -0.544 54.302 54.840 0.010 0.000 1.565 26 L CB 0.064 42.099 42.059 -0.041 0.000 2.470 26 L HN 0.275 nan 8.230 nan 0.000 0.564 27 T N -0.970 113.570 114.554 -0.023 0.000 2.861 27 T HA 0.156 4.501 4.350 -0.008 0.000 0.287 27 T C 0.514 175.189 174.700 -0.043 0.000 1.003 27 T CA -0.622 61.470 62.100 -0.013 0.000 0.977 27 T CB 2.142 71.017 68.868 0.012 0.000 0.996 27 T HN 0.428 nan 8.240 nan 0.000 0.448 28 E N 1.816 122.006 120.200 -0.017 0.000 2.170 28 E HA -0.322 4.023 4.350 -0.008 0.000 0.229 28 E C 1.657 178.233 176.600 -0.041 0.000 1.074 28 E CA 2.214 58.603 56.400 -0.019 0.000 0.930 28 E CB 0.033 29.736 29.700 0.005 0.000 0.806 28 E HN 0.657 nan 8.360 nan 0.000 0.478 29 E N 0.672 120.860 120.200 -0.020 0.000 2.049 29 E HA -0.183 4.162 4.350 -0.008 0.000 0.198 29 E C 2.060 178.515 176.600 -0.242 0.000 1.007 29 E CA 1.514 57.899 56.400 -0.024 0.000 0.809 29 E CB -0.187 29.596 29.700 0.137 0.000 0.749 29 E HN 0.220 nan 8.360 nan 0.000 0.450 30 K N 0.383 120.533 120.400 -0.418 0.000 2.001 30 K HA -0.148 4.166 4.320 -0.008 0.000 0.214 30 K C 2.260 178.614 176.600 -0.410 0.000 1.050 30 K CA 1.648 57.492 56.287 -0.739 0.000 0.934 30 K CB -0.496 31.644 32.500 -0.599 0.000 0.718 30 K HN 0.113 nan 8.250 nan 0.000 0.443 31 I N 1.463 121.897 120.570 -0.225 0.000 2.300 31 I HA -0.337 3.828 4.170 -0.008 0.000 0.252 31 I C 2.151 178.206 176.117 -0.104 0.000 1.119 31 I CA 1.490 62.715 61.300 -0.126 0.000 1.384 31 I CB -0.259 37.695 38.000 -0.076 0.000 1.062 31 I HN 0.223 nan 8.210 nan 0.000 0.426 32 K N 0.535 120.865 120.400 -0.116 0.000 2.137 32 K HA 0.036 4.351 4.320 -0.008 0.000 0.202 32 K C 2.301 178.856 176.600 -0.075 0.000 1.052 32 K CA 1.086 57.333 56.287 -0.067 0.000 0.961 32 K CB -0.121 32.358 32.500 -0.036 0.000 0.741 32 K HN 0.254 nan 8.250 nan 0.000 0.452 33 A N 1.726 124.442 122.820 -0.172 0.000 1.898 33 A HA -0.102 4.213 4.320 -0.008 0.000 0.216 33 A C 2.128 179.651 177.584 -0.101 0.000 1.181 33 A CA 1.108 53.052 52.037 -0.155 0.000 0.620 33 A CB -0.630 18.049 19.000 -0.535 0.000 0.819 33 A HN 0.117 nan 8.150 nan 0.000 0.442 34 L N -0.261 120.875 121.223 -0.145 0.000 2.012 34 L HA -0.194 4.141 4.340 -0.008 0.000 0.210 34 L C 2.523 179.381 176.870 -0.019 0.000 1.073 34 L CA 1.411 56.212 54.840 -0.066 0.000 0.748 34 L CB -0.787 41.242 42.059 -0.050 0.000 0.891 34 L HN 0.261 nan 8.230 nan 0.000 0.431 35 V N 0.027 119.937 119.914 -0.006 0.000 2.439 35 V HA -0.332 3.783 4.120 -0.008 0.000 0.253 35 V C 2.452 178.556 176.094 0.016 0.000 1.074 35 V CA 2.149 64.466 62.300 0.028 0.000 1.076 35 V CB -0.650 31.186 31.823 0.023 0.000 0.664 35 V HN 0.484 nan 8.190 nan 0.000 0.461 36 E N 0.524 120.728 120.200 0.007 0.000 2.006 36 E HA -0.175 4.170 4.350 -0.008 0.000 0.192 36 E C 2.079 178.679 176.600 0.000 0.000 0.993 36 E CA 1.662 58.071 56.400 0.015 0.000 0.808 36 E CB -0.245 29.476 29.700 0.036 0.000 0.764 36 E HN 0.407 nan 8.360 nan 0.000 0.449 37 I N 0.954 121.523 120.570 -0.002 0.000 2.044 37 I HA -0.410 3.755 4.170 -0.008 0.000 0.234 37 I C 2.574 178.646 176.117 -0.076 0.000 1.031 37 I CA 1.504 62.792 61.300 -0.021 0.000 1.305 37 I CB -1.665 36.328 38.000 -0.012 0.000 1.026 37 I HN 0.356 nan 8.210 nan 0.000 0.392 38 C N 0.973 120.202 119.300 -0.119 0.000 2.382 38 C HA -0.251 4.204 4.460 -0.008 0.000 0.274 38 C C 3.103 177.942 174.990 -0.251 0.000 1.180 38 C CA 1.953 60.794 59.018 -0.295 0.000 1.799 38 C CB -1.712 25.785 27.740 -0.405 0.000 2.094 38 C HN 0.732 nan 8.230 nan 0.000 0.468 39 T N -0.323 114.182 114.554 -0.081 0.000 2.701 39 T HA -0.201 4.144 4.350 -0.008 0.000 0.263 39 T C 1.529 176.207 174.700 -0.037 0.000 1.040 39 T CA 1.726 63.819 62.100 -0.013 0.000 1.147 39 T CB -0.464 68.418 68.868 0.024 0.000 0.865 39 T HN 0.520 nan 8.240 nan 0.000 0.426 40 E N 1.446 121.621 120.200 -0.040 0.000 2.070 40 E HA -0.150 4.195 4.350 -0.008 0.000 0.197 40 E C 2.197 178.755 176.600 -0.070 0.000 1.004 40 E CA 1.552 57.928 56.400 -0.040 0.000 0.805 40 E CB -0.647 29.035 29.700 -0.030 0.000 0.744 40 E HN 0.594 nan 8.360 nan 0.000 0.451 41 M N 0.400 119.933 119.600 -0.111 0.000 2.255 41 M HA -0.259 4.216 4.480 -0.008 0.000 0.260 41 M C 2.359 178.582 176.300 -0.128 0.000 1.069 41 M CA 2.536 57.742 55.300 -0.156 0.000 1.089 41 M CB -0.833 31.647 32.600 -0.201 0.000 1.269 41 M HN 0.287 nan 8.290 nan 0.000 0.434 42 E N 0.127 120.259 120.200 -0.113 0.000 2.219 42 E HA -0.239 4.106 4.350 -0.008 0.000 0.198 42 E C 1.664 178.249 176.600 -0.025 0.000 0.998 42 E CA 1.080 57.453 56.400 -0.045 0.000 0.818 42 E CB -0.386 29.334 29.700 0.033 0.000 0.741 42 E HN 0.399 nan 8.360 nan 0.000 0.477 43 K N 1.009 121.392 120.400 -0.028 0.000 2.097 43 K HA -0.105 4.210 4.320 -0.008 0.000 0.206 43 K C 1.870 178.456 176.600 -0.023 0.000 1.049 43 K CA 1.386 57.663 56.287 -0.016 0.000 0.933 43 K CB -0.108 32.384 32.500 -0.014 0.000 0.717 43 K HN 0.429 nan 8.250 nan 0.000 0.442 44 E N -0.711 119.460 120.200 -0.047 0.000 2.435 44 E HA 0.005 4.350 4.350 -0.008 0.000 0.195 44 E C 0.901 177.473 176.600 -0.046 0.000 1.029 44 E CA 0.522 56.891 56.400 -0.051 0.000 0.865 44 E CB 0.200 29.845 29.700 -0.091 0.000 0.833 44 E HN 0.489 nan 8.360 nan 0.000 0.510 45 G N 1.481 110.253 108.800 -0.046 0.000 2.179 45 G HA2 -0.298 3.657 3.960 -0.008 0.000 0.220 45 G HA3 -0.298 3.657 3.960 -0.008 0.000 0.220 45 G C 0.908 175.789 174.900 -0.032 0.000 0.990 45 G CA 0.380 45.466 45.100 -0.023 0.000 0.646 45 G HN 0.181 nan 8.290 nan 0.000 0.517 46 K N 0.021 120.363 120.400 -0.097 0.000 1.985 46 K HA 0.136 4.451 4.320 -0.008 0.000 0.210 46 K C 1.753 178.339 176.600 -0.023 0.000 1.047 46 K CA 1.730 57.958 56.287 -0.098 0.000 0.932 46 K CB -0.118 32.226 32.500 -0.260 0.000 0.716 46 K HN 0.786 nan 8.250 nan 0.000 0.439 47 I N -3.565 116.956 120.570 -0.081 0.000 3.522 47 I HA 0.452 4.617 4.170 -0.008 0.000 0.292 47 I C -0.539 175.591 176.117 0.023 0.000 1.147 47 I CA -1.055 60.203 61.300 -0.069 0.000 1.032 47 I CB 2.221 40.100 38.000 -0.202 0.000 1.337 47 I HN -0.247 nan 8.210 nan 0.000 0.496 48 S N -0.481 115.282 115.700 0.105 0.000 2.567 48 S HA 0.372 4.837 4.470 -0.008 0.000 0.270 48 S C -1.249 173.423 174.600 0.120 0.000 1.152 48 S CA -0.949 57.325 58.200 0.123 0.000 0.835 48 S CB 1.963 65.190 63.200 0.045 0.000 1.115 48 S HN 0.495 nan 8.310 nan 0.000 0.459 49 K N 1.853 122.239 120.400 -0.024 0.000 2.237 49 K HA 0.554 4.869 4.320 -0.008 0.000 0.270 49 K C -0.177 176.323 176.600 -0.166 0.000 1.015 49 K CA -0.188 55.944 56.287 -0.258 0.000 0.949 49 K CB 0.371 32.692 32.500 -0.299 0.000 0.976 49 K HN 0.584 nan 8.250 nan 0.000 0.472 50 I N -2.048 118.399 120.570 -0.205 0.000 2.785 50 I HA 0.536 4.701 4.170 -0.008 0.000 0.302 50 I C 0.300 176.339 176.117 -0.129 0.000 1.069 50 I CA -1.158 60.068 61.300 -0.124 0.000 1.045 50 I CB 1.870 39.821 38.000 -0.081 0.000 1.236 50 I HN 0.587 nan 8.210 nan 0.000 0.429 51 G N 2.381 111.128 108.800 -0.087 0.000 2.553 51 G HA2 0.376 4.331 3.960 -0.008 0.000 0.278 51 G HA3 0.376 4.331 3.960 -0.008 0.000 0.278 51 G C -1.479 173.376 174.900 -0.074 0.000 1.349 51 G CA -0.865 44.187 45.100 -0.080 0.000 1.037 51 G HN 0.666 nan 8.290 nan 0.000 0.508 52 P HA 0.023 nan 4.420 nan 0.000 0.237 52 P C 0.600 177.869 177.300 -0.052 0.000 1.178 52 P CA 0.815 63.878 63.100 -0.061 0.000 0.766 52 P CB 0.416 32.083 31.700 -0.056 0.000 0.876 53 E N 0.694 120.869 120.200 -0.043 0.000 2.004 53 E HA -0.087 4.258 4.350 -0.008 0.000 0.192 53 E C 1.199 177.776 176.600 -0.038 0.000 0.987 53 E CA 0.331 56.710 56.400 -0.034 0.000 0.822 53 E CB -1.261 28.427 29.700 -0.019 0.000 0.779 53 E HN 0.070 nan 8.360 nan 0.000 0.458 54 N N 2.799 121.494 118.700 -0.009 0.000 2.202 54 N HA -0.088 4.647 4.740 -0.008 0.000 0.283 54 N C -1.925 173.559 175.510 -0.043 0.000 1.391 54 N CA -0.009 53.059 53.050 0.031 0.000 0.910 54 N CB 0.481 39.012 38.487 0.074 0.000 1.267 54 N HN 0.069 nan 8.380 nan 0.000 0.493 55 P HA 0.094 nan 4.420 nan 0.000 0.243 55 P C -1.003 176.058 177.300 -0.399 0.000 1.672 55 P CA -0.060 62.865 63.100 -0.292 0.000 1.000 55 P CB -0.437 31.062 31.700 -0.334 0.000 1.562 56 Y N 0.688 121.037 120.300 0.081 0.000 2.960 56 Y HA 0.332 4.877 4.550 -0.008 0.000 0.343 56 Y C 0.685 176.668 175.900 0.139 0.000 1.106 56 Y CA -1.131 57.041 58.100 0.120 0.000 1.221 56 Y CB -0.079 38.486 38.460 0.177 0.000 1.232 56 Y HN -0.031 nan 8.280 nan 0.000 0.577 57 N N 1.003 119.822 118.700 0.198 0.000 2.455 57 N HA 0.311 5.045 4.740 -0.008 0.000 0.280 57 N C -0.841 174.805 175.510 0.227 0.000 1.055 57 N CA -0.098 53.068 53.050 0.194 0.000 0.961 57 N CB 0.901 39.452 38.487 0.107 0.000 1.121 57 N HN 0.204 nan 8.380 nan 0.000 0.476 58 T N 5.266 119.982 114.554 0.270 0.000 2.770 58 T HA 0.389 4.734 4.350 -0.008 0.000 0.283 58 T C -2.624 172.158 174.700 0.137 0.000 0.988 58 T CA -1.235 60.999 62.100 0.223 0.000 0.957 58 T CB 1.560 70.585 68.868 0.263 0.000 0.930 58 T HN 0.485 nan 8.240 nan 0.000 0.443 59 P HA 0.090 nan 4.420 nan 0.000 0.262 59 P C -0.386 176.804 177.300 -0.184 0.000 1.199 59 P CA -0.076 62.999 63.100 -0.042 0.000 0.763 59 P CB 0.757 32.452 31.700 -0.009 0.000 0.790 60 V N 5.184 124.956 119.914 -0.237 0.000 2.667 60 V HA 0.592 4.707 4.120 -0.008 0.000 0.308 60 V C -0.631 175.224 176.094 -0.399 0.000 1.048 60 V CA -0.509 61.666 62.300 -0.208 0.000 0.928 60 V CB 1.034 32.828 31.823 -0.048 0.000 1.004 60 V HN 0.337 nan 8.190 nan 0.000 0.444 61 F N 3.235 123.142 119.950 -0.070 0.000 2.846 61 F HA 0.952 5.474 4.527 -0.008 0.000 0.388 61 F C 0.327 176.085 175.800 -0.071 0.000 1.259 61 F CA -0.261 57.701 58.000 -0.063 0.000 1.118 61 F CB 1.458 40.416 39.000 -0.070 0.000 1.512 61 F HN 0.685 nan 8.300 nan 0.000 0.502 62 A N 1.109 124.037 122.820 0.180 0.000 2.480 62 A HA 0.698 5.013 4.320 -0.008 0.000 0.289 62 A C -1.822 175.916 177.584 0.256 0.000 1.044 62 A CA -0.388 51.685 52.037 0.060 0.000 0.761 62 A CB 0.681 19.512 19.000 -0.281 0.000 1.289 62 A HN 0.445 nan 8.150 nan 0.000 0.401 63 I N 0.971 121.766 120.570 0.375 0.000 2.828 63 I HA 0.525 4.690 4.170 -0.008 0.000 0.302 63 I C -0.221 176.114 176.117 0.363 0.000 1.101 63 I CA -0.636 60.904 61.300 0.401 0.000 1.031 63 I CB 2.310 40.406 38.000 0.159 0.000 1.231 63 I HN 0.672 nan 8.210 nan 0.000 0.427 64 K N 3.658 124.112 120.400 0.090 0.000 2.292 64 K HA 0.335 4.650 4.320 -0.008 0.000 0.257 64 K C 0.711 177.258 176.600 -0.089 0.000 0.940 64 K CA -0.712 55.480 56.287 -0.157 0.000 0.811 64 K CB 2.974 35.129 32.500 -0.574 0.000 1.120 64 K HN 0.526 nan 8.250 nan 0.000 0.428 65 K N 2.123 122.481 120.400 -0.069 0.000 1.972 65 K HA -0.171 4.144 4.320 -0.008 0.000 0.227 65 K C -0.233 176.332 176.600 -0.059 0.000 1.046 65 K CA 1.214 57.472 56.287 -0.048 0.000 1.013 65 K CB -0.103 32.372 32.500 -0.041 0.000 0.741 65 K HN 0.345 nan 8.250 nan 0.000 0.446 66 K N 0.792 121.149 120.400 -0.072 0.000 2.635 66 K HA 0.033 4.348 4.320 -0.008 0.000 0.266 66 K C -1.735 174.820 176.600 -0.075 0.000 1.033 66 K CA -0.295 55.952 56.287 -0.067 0.000 0.919 66 K CB 1.535 34.008 32.500 -0.045 0.000 1.289 66 K HN 0.487 nan 8.250 nan 0.000 0.463 67 D N 2.504 122.850 120.400 -0.089 0.000 2.927 67 D HA -0.141 4.494 4.640 -0.008 0.000 0.236 67 D C -0.954 175.287 176.300 -0.098 0.000 1.163 67 D CA 1.387 55.335 54.000 -0.086 0.000 0.801 67 D CB -0.464 40.301 40.800 -0.058 0.000 0.975 67 D HN 0.571 nan 8.370 nan 0.000 0.413 68 S N -0.195 115.419 115.700 -0.144 0.000 2.709 68 S HA 0.737 5.202 4.470 -0.008 0.000 0.302 68 S C 0.945 175.437 174.600 -0.180 0.000 1.127 68 S CA 0.111 58.222 58.200 -0.148 0.000 0.905 68 S CB 1.957 65.062 63.200 -0.159 0.000 1.151 68 S HN 0.273 nan 8.310 nan 0.000 0.510 69 T N -2.187 112.281 114.554 -0.142 0.000 3.085 69 T HA 0.372 4.717 4.350 -0.008 0.000 0.264 69 T C -0.093 174.532 174.700 -0.125 0.000 1.019 69 T CA -0.396 61.629 62.100 -0.126 0.000 0.910 69 T CB -0.187 68.642 68.868 -0.065 0.000 1.059 69 T HN 0.429 nan 8.240 nan 0.000 0.542 70 K N 0.518 120.827 120.400 -0.151 0.000 2.267 70 K HA 0.475 4.790 4.320 -0.008 0.000 0.246 70 K C -1.558 174.967 176.600 -0.125 0.000 0.954 70 K CA -0.557 55.684 56.287 -0.077 0.000 0.824 70 K CB 1.971 34.459 32.500 -0.019 0.000 1.167 70 K HN 0.308 nan 8.250 nan 0.000 0.431 71 W N 1.071 122.377 121.300 0.010 0.000 2.627 71 W HA 0.396 5.051 4.660 -0.009 0.000 0.339 71 W C 0.248 176.773 176.519 0.010 0.000 1.058 71 W CA -0.740 56.613 57.345 0.012 0.000 1.223 71 W CB 1.469 30.939 29.460 0.017 0.000 1.389 71 W HN 0.044 nan 8.180 nan 0.000 0.541 72 R N 2.513 123.239 120.500 0.378 0.000 2.513 72 R HA 0.261 4.595 4.340 -0.008 0.000 0.301 72 R C -0.380 176.026 176.300 0.176 0.000 0.968 72 R CA -1.134 55.087 56.100 0.202 0.000 0.872 72 R CB 1.739 32.117 30.300 0.131 0.000 1.177 72 R HN 0.610 nan 8.270 nan 0.000 0.444 73 K N 1.310 121.766 120.400 0.095 0.000 2.126 73 K HA 0.509 4.824 4.320 -0.008 0.000 0.257 73 K C -0.568 176.053 176.600 0.034 0.000 1.007 73 K CA -0.666 55.648 56.287 0.044 0.000 0.928 73 K CB 0.992 33.483 32.500 -0.015 0.000 1.013 73 K HN 0.330 nan 8.250 nan 0.000 0.473 74 L N 2.026 123.266 121.223 0.029 0.000 2.504 74 L HA 0.309 4.644 4.340 -0.008 0.000 0.265 74 L C -1.806 175.056 176.870 -0.013 0.000 0.975 74 L CA -0.543 54.312 54.840 0.023 0.000 0.864 74 L CB 2.014 44.110 42.059 0.062 0.000 1.212 74 L HN 0.543 nan 8.230 nan 0.000 0.416 75 V N 3.533 123.347 119.914 -0.168 0.000 2.348 75 V HA 0.275 4.390 4.120 -0.008 0.000 0.270 75 V C -0.139 175.711 176.094 -0.407 0.000 1.037 75 V CA -0.419 61.650 62.300 -0.385 0.000 0.872 75 V CB 1.134 32.529 31.823 -0.714 0.000 1.002 75 V HN 0.776 nan 8.190 nan 0.000 0.464 76 D N 3.822 124.117 120.400 -0.176 0.000 2.344 76 D HA 0.180 4.815 4.640 -0.008 0.000 0.253 76 D C 0.363 176.615 176.300 -0.080 0.000 1.255 76 D CA 0.182 54.154 54.000 -0.046 0.000 0.894 76 D CB 0.295 41.188 40.800 0.156 0.000 1.067 76 D HN 0.469 nan 8.370 nan 0.000 0.492 77 F N 2.341 122.383 119.950 0.154 0.000 2.693 77 F HA 0.206 4.728 4.527 -0.009 0.000 0.303 77 F C 2.129 178.035 175.800 0.177 0.000 1.097 77 F CA -0.561 57.555 58.000 0.194 0.000 1.330 77 F CB 0.258 39.408 39.000 0.249 0.000 1.067 77 F HN 0.287 nan 8.300 nan 0.000 0.565 78 R N 0.457 121.124 120.500 0.279 0.000 2.153 78 R HA -0.268 4.067 4.340 -0.008 0.000 0.252 78 R C 1.967 178.388 176.300 0.202 0.000 1.158 78 R CA 1.957 58.175 56.100 0.197 0.000 0.975 78 R CB -0.339 30.038 30.300 0.129 0.000 0.871 78 R HN 0.265 nan 8.270 nan 0.000 0.450 79 E N 1.017 121.355 120.200 0.229 0.000 2.028 79 E HA -0.162 4.183 4.350 -0.008 0.000 0.191 79 E C 1.753 178.489 176.600 0.226 0.000 0.988 79 E CA 0.951 57.475 56.400 0.208 0.000 0.799 79 E CB -0.271 29.556 29.700 0.211 0.000 0.755 79 E HN 0.150 nan 8.360 nan 0.000 0.447 80 L N 0.929 122.345 121.223 0.321 0.000 2.201 80 L HA -0.063 4.272 4.340 -0.008 0.000 0.212 80 L C 1.390 178.447 176.870 0.311 0.000 1.105 80 L CA 1.499 56.535 54.840 0.326 0.000 0.775 80 L CB -0.533 41.785 42.059 0.432 0.000 0.913 80 L HN 0.113 nan 8.230 nan 0.000 0.440 81 N N 0.067 118.924 118.700 0.263 0.000 2.270 81 N HA -0.116 4.619 4.740 -0.008 0.000 0.181 81 N C 1.283 176.846 175.510 0.089 0.000 1.016 81 N CA 1.005 54.131 53.050 0.126 0.000 0.870 81 N CB -0.125 38.417 38.487 0.092 0.000 0.979 81 N HN 0.427 nan 8.380 nan 0.000 0.431 82 K N 0.415 120.880 120.400 0.109 0.000 2.505 82 K HA 0.173 4.488 4.320 -0.008 0.000 0.192 82 K C 1.079 177.726 176.600 0.078 0.000 1.025 82 K CA 0.204 56.538 56.287 0.079 0.000 1.086 82 K CB 0.465 33.012 32.500 0.078 0.000 0.840 82 K HN 0.123 nan 8.250 nan 0.000 0.514 83 R N -0.682 119.880 120.500 0.103 0.000 2.513 83 R HA 0.091 4.426 4.340 -0.008 0.000 0.245 83 R C 0.068 176.449 176.300 0.135 0.000 0.908 83 R CA 0.025 56.178 56.100 0.088 0.000 1.023 83 R CB 0.862 31.194 30.300 0.053 0.000 1.338 83 R HN -0.051 nan 8.270 nan 0.000 0.575 84 T N 3.045 117.718 114.554 0.199 0.000 2.919 84 T HA 0.007 4.352 4.350 -0.008 0.000 0.302 84 T C 0.569 175.322 174.700 0.089 0.000 1.031 84 T CA -0.161 62.098 62.100 0.265 0.000 1.127 84 T CB 1.156 70.171 68.868 0.246 0.000 0.952 84 T HN 0.220 nan 8.240 nan 0.000 0.540 85 Q N 2.426 122.236 119.800 0.016 0.000 3.244 85 Q HA 0.052 4.387 4.340 -0.008 0.000 0.189 85 Q C -0.833 175.037 176.000 -0.217 0.000 1.197 85 Q CA 0.114 55.834 55.803 -0.138 0.000 1.312 85 Q CB 0.155 28.730 28.738 -0.271 0.000 1.394 85 Q HN 0.474 nan 8.270 nan 0.000 0.724 86 D N -0.917 119.303 120.400 -0.300 0.000 2.248 86 D HA 0.493 5.128 4.640 -0.008 0.000 0.246 86 D C -1.397 174.669 176.300 -0.390 0.000 1.027 86 D CA -0.311 53.567 54.000 -0.204 0.000 0.853 86 D CB 0.916 41.668 40.800 -0.080 0.000 1.243 86 D HN 0.310 nan 8.370 nan 0.000 0.462 87 F N 0.475 120.399 119.950 -0.044 0.000 2.618 87 F HA 0.392 4.914 4.527 -0.009 0.000 0.332 87 F C -0.190 175.661 175.800 0.085 0.000 1.061 87 F CA -1.084 56.918 58.000 0.004 0.000 0.974 87 F CB 1.319 40.278 39.000 -0.068 0.000 1.310 87 F HN 0.317 nan 8.300 nan 0.000 0.491 88 W N 3.541 124.937 121.300 0.159 0.000 1.978 88 W HA 0.255 4.910 4.660 -0.008 0.000 0.373 88 W C -0.670 175.890 176.519 0.068 0.000 0.813 88 W CA -0.542 56.850 57.345 0.078 0.000 1.571 88 W CB 0.285 29.773 29.460 0.047 0.000 1.746 88 W HN 0.466 nan 8.180 nan 0.000 0.302 89 E N 3.152 123.270 120.200 -0.137 0.000 2.059 89 E HA -0.074 4.271 4.350 -0.008 0.000 0.262 89 E C 0.759 177.161 176.600 -0.330 0.000 1.230 89 E CA 0.094 56.401 56.400 -0.155 0.000 0.951 89 E CB 1.642 31.267 29.700 -0.126 0.000 1.038 89 E HN 0.243 nan 8.360 nan 0.000 0.425 90 V N 4.386 124.186 119.914 -0.190 0.000 3.366 90 V HA -0.131 3.984 4.120 -0.008 0.000 0.325 90 V C 0.353 176.402 176.094 -0.076 0.000 1.168 90 V CA 0.896 63.114 62.300 -0.137 0.000 1.348 90 V CB -0.501 31.405 31.823 0.138 0.000 1.069 90 V HN 0.386 nan 8.190 nan 0.000 0.416 91 Q N 0.200 119.929 119.800 -0.119 0.000 2.206 91 Q HA 0.320 4.655 4.340 -0.008 0.000 0.265 91 Q C 1.142 177.098 176.000 -0.073 0.000 0.866 91 Q CA -0.074 55.706 55.803 -0.038 0.000 1.073 91 Q CB 0.622 29.359 28.738 -0.002 0.000 1.165 91 Q HN 0.619 nan 8.270 nan 0.000 0.465 92 L N 0.039 121.178 121.223 -0.140 0.000 2.749 92 L HA 0.137 4.472 4.340 -0.008 0.000 0.245 92 L C 0.595 177.428 176.870 -0.061 0.000 1.156 92 L CA 0.258 55.016 54.840 -0.138 0.000 0.890 92 L CB -0.181 41.752 42.059 -0.210 0.000 1.036 92 L HN 0.213 nan 8.230 nan 0.000 0.441 93 G N 0.888 109.674 108.800 -0.025 0.000 2.093 93 G HA2 0.262 4.217 3.960 -0.008 0.000 0.298 93 G HA3 0.262 4.217 3.960 -0.008 0.000 0.298 93 G C -0.789 174.126 174.900 0.025 0.000 1.713 93 G CA -0.851 44.246 45.100 -0.004 0.000 0.907 93 G HN 0.098 nan 8.290 nan 0.000 0.702 94 I N 0.678 121.259 120.570 0.018 0.000 2.662 94 I HA 0.689 4.854 4.170 -0.008 0.000 0.291 94 I C -1.590 174.520 176.117 -0.011 0.000 1.046 94 I CA -1.810 59.516 61.300 0.043 0.000 1.361 94 I CB 0.442 38.390 38.000 -0.087 0.000 1.429 94 I HN 0.232 nan 8.210 nan 0.000 0.558 95 P HA 0.097 nan 4.420 nan 0.000 0.278 95 P C -1.014 176.173 177.300 -0.189 0.000 1.270 95 P CA 0.067 63.104 63.100 -0.105 0.000 0.800 95 P CB 0.214 31.806 31.700 -0.181 0.000 1.142 96 H N -0.725 118.120 119.070 -0.375 0.000 2.759 96 H HA 0.231 4.782 4.556 -0.008 0.000 0.354 96 H C -2.113 172.812 175.328 -0.672 0.000 1.074 96 H CA -2.052 53.675 56.048 -0.536 0.000 1.226 96 H CB 1.945 31.411 29.762 -0.492 0.000 1.648 96 H HN 0.111 nan 8.280 nan 0.000 0.529 97 P HA -0.185 nan 4.420 nan 0.000 0.216 97 P C 1.263 178.186 177.300 -0.629 0.000 1.154 97 P CA 2.446 64.919 63.100 -1.045 0.000 0.865 97 P CB 0.078 30.436 31.700 -2.236 0.000 0.789 98 A N -0.346 122.242 122.820 -0.386 0.000 1.971 98 A HA -0.125 4.190 4.320 -0.008 0.000 0.222 98 A C 1.857 179.468 177.584 0.045 0.000 1.182 98 A CA 1.972 54.016 52.037 0.011 0.000 0.649 98 A CB -1.684 17.289 19.000 -0.044 0.000 0.818 98 A HN 0.332 nan 8.150 nan 0.000 0.458 99 G N -0.473 108.134 108.800 -0.322 0.000 3.964 99 G HA2 0.514 4.469 3.960 -0.008 0.000 0.289 99 G HA3 0.514 4.469 3.960 -0.008 0.000 0.289 99 G C -0.511 174.336 174.900 -0.088 0.000 1.176 99 G CA -0.233 44.665 45.100 -0.336 0.000 1.553 99 G HN 0.278 nan 8.290 nan 0.000 0.588 100 I N 0.353 120.981 120.570 0.096 0.000 2.610 100 I HA 0.238 4.403 4.170 -0.008 0.000 0.289 100 I C -0.450 175.648 176.117 -0.033 0.000 1.163 100 I CA -0.841 60.439 61.300 -0.033 0.000 1.044 100 I CB 2.735 40.648 38.000 -0.144 0.000 1.251 100 I HN 0.069 nan 8.210 nan 0.000 0.424 101 K N 5.523 125.856 120.400 -0.112 0.000 2.270 101 K HA 0.243 4.558 4.320 -0.008 0.000 0.276 101 K C -0.208 176.195 176.600 -0.327 0.000 1.023 101 K CA -0.669 55.541 56.287 -0.129 0.000 0.955 101 K CB 0.834 33.275 32.500 -0.098 0.000 0.975 101 K HN 0.473 nan 8.250 nan 0.000 0.471 102 K N 1.865 122.123 120.400 -0.236 0.000 2.448 102 K HA 0.005 4.320 4.320 -0.008 0.000 0.278 102 K C -0.756 175.731 176.600 -0.187 0.000 1.009 102 K CA 0.340 56.463 56.287 -0.273 0.000 0.995 102 K CB 0.254 32.785 32.500 0.052 0.000 0.917 102 K HN 0.468 nan 8.250 nan 0.000 0.481 103 N N 2.511 121.096 118.700 -0.193 0.000 2.417 103 N HA 0.080 4.815 4.740 -0.008 0.000 0.274 103 N C -0.014 175.454 175.510 -0.069 0.000 0.987 103 N CA -0.760 52.214 53.050 -0.127 0.000 0.912 103 N CB 1.555 39.953 38.487 -0.148 0.000 1.177 103 N HN 0.524 nan 8.380 nan 0.000 0.490 104 K N 0.457 120.817 120.400 -0.067 0.000 2.063 104 K HA -0.078 4.237 4.320 -0.008 0.000 0.208 104 K C 0.203 176.754 176.600 -0.081 0.000 1.048 104 K CA 0.941 57.197 56.287 -0.050 0.000 0.928 104 K CB 0.006 32.475 32.500 -0.053 0.000 0.713 104 K HN 0.515 nan 8.250 nan 0.000 0.442 105 S N -0.100 115.490 115.700 -0.185 0.000 2.547 105 S HA 0.543 5.008 4.470 -0.008 0.000 0.281 105 S C -0.772 173.667 174.600 -0.267 0.000 1.118 105 S CA -1.104 56.925 58.200 -0.285 0.000 0.947 105 S CB 2.519 65.359 63.200 -0.600 0.000 1.053 105 S HN -0.130 nan 8.310 nan 0.000 0.482 106 V N 2.386 122.273 119.914 -0.045 0.000 2.524 106 V HA 0.508 4.623 4.120 -0.008 0.000 0.297 106 V C -0.008 176.196 176.094 0.184 0.000 1.035 106 V CA -0.359 61.984 62.300 0.073 0.000 0.867 106 V CB 1.865 33.705 31.823 0.029 0.000 1.004 106 V HN 1.069 nan 8.190 nan 0.000 0.426 107 T N 3.762 118.462 114.554 0.243 0.000 2.849 107 T HA 0.782 5.127 4.350 -0.008 0.000 0.276 107 T C -0.500 174.147 174.700 -0.088 0.000 0.971 107 T CA -0.416 61.783 62.100 0.164 0.000 0.949 107 T CB 1.854 70.883 68.868 0.270 0.000 1.093 107 T HN 0.411 nan 8.240 nan 0.000 0.545 108 V N 1.059 120.863 119.914 -0.183 0.000 3.012 108 V HA 0.529 4.644 4.120 -0.008 0.000 0.307 108 V C -1.303 174.754 176.094 -0.061 0.000 1.166 108 V CA -0.841 61.298 62.300 -0.268 0.000 0.974 108 V CB 2.074 33.638 31.823 -0.432 0.000 1.040 108 V HN 0.626 nan 8.190 nan 0.000 0.428 109 L N 2.750 123.897 121.223 -0.127 0.000 2.482 109 L HA 0.469 4.804 4.340 -0.008 0.000 0.269 109 L C -1.063 175.766 176.870 -0.069 0.000 0.967 109 L CA -0.460 54.354 54.840 -0.043 0.000 0.851 109 L CB 2.033 44.084 42.059 -0.014 0.000 1.242 109 L HN 0.648 nan 8.230 nan 0.000 0.404 110 D N 2.579 122.956 120.400 -0.038 0.000 2.425 110 D HA 0.196 4.831 4.640 -0.008 0.000 0.247 110 D C 0.450 176.744 176.300 -0.011 0.000 1.147 110 D CA 0.035 54.013 54.000 -0.037 0.000 0.879 110 D CB 1.800 42.588 40.800 -0.021 0.000 1.179 110 D HN 0.307 nan 8.370 nan 0.000 0.456 111 V N 1.470 121.385 119.914 0.001 0.000 3.078 111 V HA 0.443 4.558 4.120 -0.008 0.000 0.344 111 V C 1.443 177.540 176.094 0.005 0.000 1.409 111 V CA 0.089 62.416 62.300 0.046 0.000 1.146 111 V CB 0.350 32.249 31.823 0.127 0.000 1.126 111 V HN 0.496 nan 8.190 nan 0.000 0.513 112 G N 0.034 108.794 108.800 -0.067 0.000 2.740 112 G HA2 -0.084 3.871 3.960 -0.008 0.000 0.208 112 G HA3 -0.084 3.871 3.960 -0.008 0.000 0.208 112 G C 0.811 175.602 174.900 -0.182 0.000 1.148 112 G CA 1.024 46.014 45.100 -0.183 0.000 0.795 112 G HN 0.550 nan 8.290 nan 0.000 0.526 113 D N 0.139 120.505 120.400 -0.058 0.000 2.840 113 D HA 0.101 4.735 4.640 -0.008 0.000 0.277 113 D C 2.773 179.101 176.300 0.047 0.000 1.066 113 D CA 0.672 54.695 54.000 0.039 0.000 0.979 113 D CB -0.255 40.592 40.800 0.078 0.000 1.157 113 D HN 0.157 nan 8.370 nan 0.000 0.466 114 A N 1.098 123.958 122.820 0.065 0.000 1.940 114 A HA -0.291 4.024 4.320 -0.008 0.000 0.221 114 A C 2.098 179.722 177.584 0.066 0.000 1.190 114 A CA 1.816 53.916 52.037 0.105 0.000 0.647 114 A CB -1.477 17.612 19.000 0.148 0.000 0.821 114 A HN 0.425 nan 8.150 nan 0.000 0.457 115 Y N -0.713 119.433 120.300 -0.257 0.000 2.219 115 Y HA -0.269 4.276 4.550 -0.008 0.000 0.283 115 Y C 1.488 177.149 175.900 -0.397 0.000 1.191 115 Y CA 2.015 59.707 58.100 -0.680 0.000 1.199 115 Y CB -0.354 37.363 38.460 -1.239 0.000 0.972 115 Y HN 0.352 nan 8.280 nan 0.000 0.527 116 F N -1.263 118.723 119.950 0.059 0.000 2.692 116 F HA 0.060 4.582 4.527 -0.008 0.000 0.303 116 F C 1.635 177.441 175.800 0.010 0.000 1.114 116 F CA 0.006 58.032 58.000 0.044 0.000 1.361 116 F CB 0.222 39.281 39.000 0.098 0.000 1.063 116 F HN -0.039 nan 8.300 nan 0.000 0.550 117 S N -0.936 114.847 115.700 0.139 0.000 2.512 117 S HA 0.112 4.576 4.470 -0.008 0.000 0.216 117 S C 0.571 175.209 174.600 0.064 0.000 1.006 117 S CA -0.095 58.172 58.200 0.113 0.000 0.915 117 S CB 0.480 63.751 63.200 0.119 0.000 0.824 117 S HN -0.077 nan 8.310 nan 0.000 0.497 118 V N 6.120 126.029 119.914 -0.007 0.000 2.356 118 V HA 0.227 4.342 4.120 -0.008 0.000 0.258 118 V C -2.161 173.904 176.094 -0.048 0.000 1.065 118 V CA -1.901 60.374 62.300 -0.042 0.000 0.935 118 V CB 0.139 31.898 31.823 -0.106 0.000 1.061 118 V HN 0.218 nan 8.190 nan 0.000 0.484 119 P HA 0.112 nan 4.420 nan 0.000 0.271 119 P C -0.546 176.746 177.300 -0.014 0.000 1.218 119 P CA -0.460 62.646 63.100 0.010 0.000 0.780 119 P CB 1.398 33.117 31.700 0.031 0.000 0.901 120 L N 2.748 123.958 121.223 -0.020 0.000 2.350 120 L HA 0.293 4.628 4.340 -0.008 0.000 0.275 120 L C 0.299 177.162 176.870 -0.012 0.000 1.099 120 L CA -0.320 54.483 54.840 -0.062 0.000 0.808 120 L CB -0.226 41.771 42.059 -0.103 0.000 1.149 120 L HN 0.306 nan 8.230 nan 0.000 0.442 121 D N 2.591 122.990 120.400 -0.001 0.000 2.658 121 D HA -0.143 4.492 4.640 -0.008 0.000 0.230 121 D C 1.058 177.395 176.300 0.062 0.000 1.118 121 D CA 0.494 54.524 54.000 0.050 0.000 0.848 121 D CB 0.794 41.642 40.800 0.081 0.000 1.160 121 D HN 0.676 nan 8.370 nan 0.000 0.497 122 E N 2.791 123.016 120.200 0.043 0.000 2.070 122 E HA -0.230 4.115 4.350 -0.008 0.000 0.197 122 E C 0.510 177.114 176.600 0.006 0.000 1.004 122 E CA 1.773 58.188 56.400 0.024 0.000 0.805 122 E CB -0.201 29.512 29.700 0.020 0.000 0.744 122 E HN 0.598 nan 8.360 nan 0.000 0.451 123 D N -1.405 119.009 120.400 0.022 0.000 2.346 123 D HA 0.039 4.674 4.640 -0.008 0.000 0.248 123 D C 0.295 176.550 176.300 -0.075 0.000 1.173 123 D CA 0.186 54.173 54.000 -0.022 0.000 0.878 123 D CB -0.143 40.669 40.800 0.020 0.000 0.919 123 D HN 0.203 nan 8.370 nan 0.000 0.513 124 F N -0.368 119.444 119.950 -0.229 0.000 2.856 124 F HA 0.238 4.760 4.527 -0.008 0.000 0.338 124 F C 1.693 177.288 175.800 -0.342 0.000 1.005 124 F CA -0.252 57.544 58.000 -0.339 0.000 1.155 124 F CB 0.493 39.420 39.000 -0.121 0.000 1.010 124 F HN -0.260 nan 8.300 nan 0.000 0.587 125 R N 1.391 121.834 120.500 -0.095 0.000 2.113 125 R HA -0.245 4.090 4.340 -0.008 0.000 0.244 125 R C 2.145 178.381 176.300 -0.106 0.000 1.142 125 R CA 2.240 58.308 56.100 -0.054 0.000 0.953 125 R CB -0.758 29.543 30.300 0.001 0.000 0.860 125 R HN 0.368 nan 8.270 nan 0.000 0.438 126 K N -0.001 120.267 120.400 -0.220 0.000 2.173 126 K HA -0.219 4.096 4.320 -0.008 0.000 0.207 126 K C 1.415 177.966 176.600 -0.082 0.000 1.046 126 K CA 1.860 58.059 56.287 -0.146 0.000 0.929 126 K CB -0.449 31.931 32.500 -0.200 0.000 0.720 126 K HN 0.210 nan 8.250 nan 0.000 0.453 127 Y N 2.450 122.531 120.300 -0.365 0.000 2.439 127 Y HA -0.034 4.511 4.550 -0.008 0.000 0.292 127 Y C 1.745 177.621 175.900 -0.039 0.000 1.130 127 Y CA 0.988 58.826 58.100 -0.436 0.000 1.254 127 Y CB -0.673 37.303 38.460 -0.806 0.000 1.000 127 Y HN 0.283 nan 8.280 nan 0.000 0.554 128 T N -1.735 112.938 114.554 0.198 0.000 3.284 128 T HA 0.652 4.997 4.350 -0.008 0.000 0.249 128 T C 0.437 175.495 174.700 0.596 0.000 0.944 128 T CA -0.170 62.194 62.100 0.440 0.000 0.919 128 T CB -0.702 68.378 68.868 0.353 0.000 1.089 128 T HN 0.174 nan 8.240 nan 0.000 0.576 129 A N 1.834 124.929 122.820 0.458 0.000 2.304 129 A HA 0.795 5.110 4.320 -0.008 0.000 0.301 129 A C -0.277 177.590 177.584 0.472 0.000 1.132 129 A CA -1.012 51.258 52.037 0.388 0.000 0.819 129 A CB 0.340 19.484 19.000 0.241 0.000 1.094 129 A HN 0.773 nan 8.150 nan 0.000 0.492 130 F N -1.037 119.005 119.950 0.153 0.000 2.664 130 F HA 0.839 5.361 4.527 -0.008 0.000 0.317 130 F C -0.453 175.394 175.800 0.079 0.000 1.108 130 F CA -0.802 57.258 58.000 0.100 0.000 0.957 130 F CB 1.675 40.712 39.000 0.061 0.000 1.365 130 F HN 0.383 nan 8.300 nan 0.000 0.475 131 T N 2.197 116.791 114.554 0.066 0.000 2.881 131 T HA 0.525 4.870 4.350 -0.008 0.000 0.290 131 T C -0.627 174.093 174.700 0.034 0.000 1.000 131 T CA -0.458 61.606 62.100 -0.060 0.000 0.978 131 T CB 1.695 70.534 68.868 -0.047 0.000 0.997 131 T HN 0.591 nan 8.240 nan 0.000 0.443 132 I N 4.321 124.896 120.570 0.008 0.000 2.322 132 I HA 0.248 4.413 4.170 -0.008 0.000 0.292 132 I C -2.180 173.934 176.117 -0.006 0.000 1.060 132 I CA -2.298 59.030 61.300 0.047 0.000 1.309 132 I CB 0.756 38.805 38.000 0.083 0.000 1.415 132 I HN 0.278 nan 8.210 nan 0.000 0.492 133 P HA -0.022 nan 4.420 nan 0.000 0.266 133 P C -0.165 177.118 177.300 -0.029 0.000 1.193 133 P CA 0.038 63.122 63.100 -0.026 0.000 0.770 133 P CB 0.541 32.227 31.700 -0.024 0.000 0.836 134 S N 2.150 117.830 115.700 -0.034 0.000 2.713 134 S HA 0.486 4.951 4.470 -0.008 0.000 0.277 134 S C 0.131 174.714 174.600 -0.028 0.000 1.168 134 S CA -0.773 57.408 58.200 -0.033 0.000 0.994 134 S CB 0.302 63.478 63.200 -0.038 0.000 1.054 134 S HN 0.235 nan 8.310 nan 0.000 0.555 135 I N 1.954 122.510 120.570 -0.024 0.000 2.474 135 I HA 0.192 4.357 4.170 -0.008 0.000 0.287 135 I C 0.272 176.377 176.117 -0.019 0.000 1.048 135 I CA -0.244 61.044 61.300 -0.020 0.000 1.383 135 I CB -0.056 37.935 38.000 -0.016 0.000 1.412 135 I HN 0.687 nan 8.210 nan 0.000 0.531 136 N N 5.044 123.735 118.700 -0.016 0.000 2.714 136 N HA -0.234 4.501 4.740 -0.008 0.000 0.250 136 N C -0.298 175.201 175.510 -0.019 0.000 1.117 136 N CA 0.747 53.788 53.050 -0.015 0.000 0.719 136 N CB -1.362 37.118 38.487 -0.012 0.000 1.081 136 N HN 0.783 nan 8.380 nan 0.000 0.557 137 N N -0.175 118.511 118.700 -0.023 0.000 2.702 137 N HA -0.218 4.517 4.740 -0.008 0.000 0.255 137 N C -0.088 175.406 175.510 -0.027 0.000 0.983 137 N CA 1.210 54.244 53.050 -0.027 0.000 0.768 137 N CB -0.723 37.747 38.487 -0.028 0.000 0.918 137 N HN 0.678 nan 8.380 nan 0.000 0.540 138 E N -0.892 119.292 120.200 -0.026 0.000 2.624 138 E HA 0.102 4.447 4.350 -0.008 0.000 0.210 138 E C -0.029 176.554 176.600 -0.029 0.000 0.997 138 E CA 0.172 56.557 56.400 -0.025 0.000 0.999 138 E CB 0.657 30.344 29.700 -0.021 0.000 1.040 138 E HN 0.479 nan 8.360 nan 0.000 0.469 139 T N -1.219 113.314 114.554 -0.034 0.000 2.786 139 T HA 0.327 4.672 4.350 -0.008 0.000 0.316 139 T C -2.952 171.719 174.700 -0.048 0.000 1.503 139 T CA -1.594 60.482 62.100 -0.040 0.000 1.019 139 T CB 1.119 69.962 68.868 -0.041 0.000 1.415 139 T HN -0.256 nan 8.240 nan 0.000 0.496 140 P HA 0.439 nan 4.420 nan 0.000 0.272 140 P C 0.274 177.529 177.300 -0.076 0.000 1.223 140 P CA -0.146 62.914 63.100 -0.066 0.000 0.784 140 P CB 0.173 31.829 31.700 -0.074 0.000 0.923 141 G N 1.816 110.568 108.800 -0.079 0.000 2.467 141 G HA2 0.346 4.301 3.960 -0.008 0.000 0.257 141 G HA3 0.346 4.301 3.960 -0.008 0.000 0.257 141 G C -0.086 174.734 174.900 -0.133 0.000 1.227 141 G CA -0.691 44.358 45.100 -0.085 0.000 0.835 141 G HN 0.459 nan 8.290 nan 0.000 0.556 142 I N 2.204 122.683 120.570 -0.152 0.000 2.517 142 I HA 0.091 4.256 4.170 -0.008 0.000 0.285 142 I C 0.423 176.303 176.117 -0.395 0.000 1.106 142 I CA -0.145 60.983 61.300 -0.287 0.000 1.402 142 I CB 0.432 38.261 38.000 -0.286 0.000 1.399 142 I HN 0.164 nan 8.210 nan 0.000 0.535 143 R N 6.764 126.982 120.500 -0.470 0.000 2.312 143 R HA 0.510 4.845 4.340 -0.008 0.000 0.311 143 R C -1.194 174.720 176.300 -0.642 0.000 1.004 143 R CA -0.517 55.318 56.100 -0.442 0.000 0.902 143 R CB 1.232 31.372 30.300 -0.267 0.000 1.073 143 R HN 0.453 nan 8.270 nan 0.000 0.457 144 Y N 0.303 120.246 120.300 -0.596 0.000 2.609 144 Y HA 0.304 4.849 4.550 -0.008 0.000 0.342 144 Y C 0.070 175.751 175.900 -0.365 0.000 1.058 144 Y CA -0.917 56.846 58.100 -0.563 0.000 1.055 144 Y CB 2.408 40.371 38.460 -0.828 0.000 1.292 144 Y HN 0.452 nan 8.280 nan 0.000 0.476 145 Q N -0.163 119.669 119.800 0.053 0.000 2.391 145 Q HA 0.502 4.837 4.340 -0.008 0.000 0.279 145 Q C -2.176 173.874 176.000 0.083 0.000 1.028 145 Q CA -1.104 54.780 55.803 0.136 0.000 0.836 145 Q CB 1.918 30.718 28.738 0.104 0.000 1.414 145 Q HN 0.599 nan 8.270 nan 0.000 0.397 146 Y N 1.270 121.686 120.300 0.193 0.000 2.326 146 Y HA 0.247 4.792 4.550 -0.008 0.000 0.333 146 Y C 0.801 176.724 175.900 0.039 0.000 1.240 146 Y CA 0.134 58.300 58.100 0.111 0.000 1.365 146 Y CB 0.854 39.358 38.460 0.073 0.000 1.289 146 Y HN 0.729 nan 8.280 nan 0.000 0.548 147 N N 0.680 119.506 118.700 0.209 0.000 2.160 147 N HA 0.152 4.887 4.740 -0.008 0.000 0.226 147 N C -1.309 174.263 175.510 0.104 0.000 1.256 147 N CA 0.280 53.397 53.050 0.110 0.000 0.890 147 N CB 1.270 39.800 38.487 0.072 0.000 1.116 147 N HN 0.334 nan 8.380 nan 0.000 0.517 148 V N -2.249 117.760 119.914 0.159 0.000 3.012 148 V HA 0.487 4.602 4.120 -0.008 0.000 0.307 148 V C -0.164 175.939 176.094 0.016 0.000 1.166 148 V CA -1.274 61.088 62.300 0.103 0.000 0.974 148 V CB 1.799 33.750 31.823 0.213 0.000 1.040 148 V HN -0.066 nan 8.190 nan 0.000 0.428 149 L N 2.817 123.968 121.223 -0.120 0.000 2.771 149 L HA 0.123 4.457 4.340 -0.008 0.000 0.278 149 L C -2.069 174.773 176.870 -0.046 0.000 1.175 149 L CA -0.450 54.291 54.840 -0.164 0.000 0.973 149 L CB -0.602 41.308 42.059 -0.248 0.000 1.286 149 L HN 0.461 nan 8.230 nan 0.000 0.481 150 P HA -0.022 nan 4.420 nan 0.000 0.269 150 P C -0.368 176.963 177.300 0.051 0.000 1.209 150 P CA -0.134 62.703 63.100 -0.437 0.000 0.776 150 P CB 0.429 31.661 31.700 -0.781 0.000 0.876 151 Q N 2.013 121.879 119.800 0.109 0.000 3.223 151 Q HA 0.248 4.583 4.340 -0.008 0.000 0.299 151 Q C 0.851 176.937 176.000 0.144 0.000 1.385 151 Q CA 0.426 56.286 55.803 0.095 0.000 0.942 151 Q CB -0.603 28.169 28.738 0.055 0.000 1.748 151 Q HN 0.826 nan 8.270 nan 0.000 0.523 152 G N -0.074 108.851 108.800 0.210 0.000 4.199 152 G HA2 -0.118 3.837 3.960 -0.008 0.000 0.220 152 G HA3 -0.118 3.837 3.960 -0.008 0.000 0.220 152 G C -0.731 174.366 174.900 0.329 0.000 0.841 152 G CA -0.857 44.391 45.100 0.248 0.000 0.973 152 G HN 0.366 nan 8.290 nan 0.000 0.743 153 W N 2.320 123.623 121.300 0.004 0.000 2.251 153 W HA 0.613 5.268 4.660 -0.008 0.000 0.329 153 W C 1.383 177.845 176.519 -0.095 0.000 1.234 153 W CA -0.468 56.784 57.345 -0.156 0.000 1.228 153 W CB 1.335 30.569 29.460 -0.377 0.000 1.135 153 W HN 0.020 nan 8.180 nan 0.000 0.576 154 K N 2.113 122.113 120.400 -0.666 0.000 2.001 154 K HA -0.148 4.167 4.320 -0.008 0.000 0.214 154 K C 1.637 177.731 176.600 -0.844 0.000 1.050 154 K CA 2.065 57.961 56.287 -0.651 0.000 0.934 154 K CB -0.832 31.300 32.500 -0.612 0.000 0.718 154 K HN 0.694 nan 8.250 nan 0.000 0.443 155 G N -0.388 107.382 108.800 -1.717 0.000 3.262 155 G HA2 -0.003 3.952 3.960 -0.008 0.000 0.228 155 G HA3 -0.003 3.952 3.960 -0.008 0.000 0.228 155 G C 0.865 175.330 174.900 -0.724 0.000 1.197 155 G CA -0.040 43.991 45.100 -1.782 0.000 0.819 155 G HN 0.229 nan 8.290 nan 0.000 0.531 156 S N 1.587 117.191 115.700 -0.161 0.000 2.335 156 S HA -0.043 4.422 4.470 -0.008 0.000 0.217 156 S C 0.061 174.710 174.600 0.082 0.000 1.032 156 S CA 1.114 59.398 58.200 0.141 0.000 0.985 156 S CB -0.585 62.773 63.200 0.263 0.000 0.896 156 S HN 0.261 nan 8.310 nan 0.000 0.445 157 P HA -0.067 nan 4.420 nan 0.000 0.214 157 P C 1.522 178.843 177.300 0.034 0.000 1.163 157 P CA 1.583 64.754 63.100 0.119 0.000 0.883 157 P CB -0.186 31.546 31.700 0.054 0.000 0.788 158 A N -0.576 122.178 122.820 -0.109 0.000 1.927 158 A HA -0.230 4.085 4.320 -0.008 0.000 0.220 158 A C 2.203 179.747 177.584 -0.068 0.000 1.185 158 A CA 2.001 53.971 52.037 -0.112 0.000 0.639 158 A CB -1.727 17.130 19.000 -0.239 0.000 0.820 158 A HN 0.162 nan 8.150 nan 0.000 0.451 159 I N -2.459 118.043 120.570 -0.113 0.000 2.716 159 I HA -0.070 4.095 4.170 -0.008 0.000 0.259 159 I C 2.294 178.434 176.117 0.038 0.000 1.172 159 I CA 0.748 62.033 61.300 -0.025 0.000 1.478 159 I CB -0.295 37.692 38.000 -0.022 0.000 1.104 159 I HN 0.497 nan 8.210 nan 0.000 0.439 160 F N 2.038 121.927 119.950 -0.102 0.000 2.084 160 F HA -0.245 4.277 4.527 -0.008 0.000 0.296 160 F C 2.767 178.524 175.800 -0.072 0.000 1.111 160 F CA 1.428 59.362 58.000 -0.110 0.000 1.224 160 F CB 0.026 39.016 39.000 -0.017 0.000 0.991 160 F HN -0.000 nan 8.300 nan 0.000 0.471 161 Q N 0.531 120.178 119.800 -0.255 0.000 2.050 161 Q HA -0.197 4.138 4.340 -0.008 0.000 0.202 161 Q C 2.485 178.348 176.000 -0.228 0.000 0.980 161 Q CA 1.958 57.557 55.803 -0.340 0.000 0.840 161 Q CB -0.701 27.944 28.738 -0.155 0.000 0.898 161 Q HN 0.579 nan 8.270 nan 0.000 0.424 162 S N 0.911 116.546 115.700 -0.108 0.000 2.351 162 S HA -0.164 4.301 4.470 -0.008 0.000 0.220 162 S C 2.262 176.797 174.600 -0.108 0.000 1.035 162 S CA 1.619 59.782 58.200 -0.062 0.000 1.031 162 S CB -0.617 62.586 63.200 0.005 0.000 0.928 162 S HN 0.236 nan 8.310 nan 0.000 0.433 163 S N 1.886 117.518 115.700 -0.112 0.000 2.372 163 S HA -0.157 4.308 4.470 -0.008 0.000 0.227 163 S C 1.886 176.349 174.600 -0.229 0.000 1.044 163 S CA 1.853 59.974 58.200 -0.133 0.000 1.050 163 S CB -0.616 62.536 63.200 -0.080 0.000 0.901 163 S HN 0.454 nan 8.310 nan 0.000 0.447 164 M N 1.719 121.133 119.600 -0.310 0.000 2.086 164 M HA -0.080 4.395 4.480 -0.008 0.000 0.261 164 M C 2.185 178.329 176.300 -0.260 0.000 1.067 164 M CA 1.667 56.758 55.300 -0.348 0.000 1.116 164 M CB -1.357 30.938 32.600 -0.508 0.000 1.348 164 M HN 0.221 nan 8.290 nan 0.000 0.407 165 T N -0.064 114.366 114.554 -0.207 0.000 2.720 165 T HA -0.213 4.132 4.350 -0.008 0.000 0.268 165 T C 1.820 176.454 174.700 -0.109 0.000 1.037 165 T CA 1.787 63.809 62.100 -0.131 0.000 1.144 165 T CB -0.292 68.522 68.868 -0.090 0.000 0.864 165 T HN 0.414 nan 8.240 nan 0.000 0.444 166 K N 0.533 120.859 120.400 -0.122 0.000 2.152 166 K HA -0.028 4.287 4.320 -0.008 0.000 0.206 166 K C 2.035 178.545 176.600 -0.149 0.000 1.048 166 K CA 1.133 57.362 56.287 -0.096 0.000 0.933 166 K CB -0.218 32.233 32.500 -0.083 0.000 0.721 166 K HN 0.384 nan 8.250 nan 0.000 0.447 167 I N 0.423 120.808 120.570 -0.309 0.000 2.500 167 I HA -0.202 3.963 4.170 -0.008 0.000 0.252 167 I C 1.894 177.904 176.117 -0.178 0.000 1.142 167 I CA 0.676 61.636 61.300 -0.568 0.000 1.451 167 I CB -0.100 37.358 38.000 -0.904 0.000 1.093 167 I HN 0.100 nan 8.210 nan 0.000 0.430 168 L N 0.289 121.454 121.223 -0.098 0.000 2.127 168 L HA -0.101 4.234 4.340 -0.008 0.000 0.203 168 L C 2.486 179.393 176.870 0.061 0.000 1.080 168 L CA 0.784 55.635 54.840 0.018 0.000 0.768 168 L CB -0.601 41.451 42.059 -0.012 0.000 0.924 168 L HN 0.134 nan 8.230 nan 0.000 0.444 169 E N 0.994 121.207 120.200 0.021 0.000 2.246 169 E HA -0.272 4.073 4.350 -0.008 0.000 0.232 169 E C -0.692 175.944 176.600 0.060 0.000 1.087 169 E CA 2.767 59.185 56.400 0.031 0.000 0.964 169 E CB -1.153 28.560 29.700 0.022 0.000 0.827 169 E HN 0.330 nan 8.360 nan 0.000 0.476 170 P HA -0.089 nan 4.420 nan 0.000 0.225 170 P C 1.318 178.684 177.300 0.109 0.000 1.156 170 P CA 0.983 64.161 63.100 0.130 0.000 0.787 170 P CB -0.123 31.709 31.700 0.220 0.000 0.802 171 F N 1.796 121.660 119.950 -0.143 0.000 2.179 171 F HA 0.190 4.712 4.527 -0.008 0.000 0.292 171 F C 2.473 178.192 175.800 -0.135 0.000 1.089 171 F CA 1.091 58.934 58.000 -0.261 0.000 1.295 171 F CB -0.978 37.702 39.000 -0.534 0.000 1.041 171 F HN -0.108 nan 8.300 nan 0.000 0.487 172 A N 0.310 123.091 122.820 -0.065 0.000 1.978 172 A HA -0.069 4.246 4.320 -0.008 0.000 0.220 172 A C 2.347 179.851 177.584 -0.133 0.000 1.170 172 A CA 1.710 53.672 52.037 -0.126 0.000 0.636 172 A CB -1.471 17.509 19.000 -0.033 0.000 0.810 172 A HN 0.453 nan 8.150 nan 0.000 0.448 173 A N -0.957 121.814 122.820 -0.081 0.000 1.969 173 A HA -0.120 4.195 4.320 -0.008 0.000 0.218 173 A C 1.946 179.478 177.584 -0.086 0.000 1.169 173 A CA 1.415 53.417 52.037 -0.059 0.000 0.635 173 A CB -0.298 18.694 19.000 -0.013 0.000 0.810 173 A HN 0.651 nan 8.150 nan 0.000 0.445 174 Q N -0.547 119.172 119.800 -0.135 0.000 2.282 174 Q HA 0.150 4.485 4.340 -0.008 0.000 0.206 174 Q C -0.694 175.170 176.000 -0.226 0.000 0.878 174 Q CA -0.110 55.611 55.803 -0.138 0.000 0.944 174 Q CB 0.408 29.092 28.738 -0.089 0.000 1.100 174 Q HN 0.452 nan 8.270 nan 0.000 0.509 175 N N 0.647 119.164 118.700 -0.305 0.000 2.733 175 N HA 0.163 4.898 4.740 -0.008 0.000 0.271 175 N C -2.426 172.957 175.510 -0.211 0.000 1.720 175 N CA -1.015 51.839 53.050 -0.327 0.000 0.803 175 N CB 1.511 39.630 38.487 -0.613 0.000 1.208 175 N HN -0.017 nan 8.380 nan 0.000 0.498 176 P HA -0.074 nan 4.420 nan 0.000 0.225 176 P C 0.398 177.651 177.300 -0.079 0.000 1.148 176 P CA 1.059 64.104 63.100 -0.092 0.000 0.779 176 P CB 0.167 31.826 31.700 -0.068 0.000 0.780 177 D N -0.280 120.070 120.400 -0.084 0.000 2.344 177 D HA 0.040 4.674 4.640 -0.008 0.000 0.242 177 D C 0.783 177.055 176.300 -0.047 0.000 1.159 177 D CA -0.097 53.868 54.000 -0.058 0.000 0.859 177 D CB -0.962 39.811 40.800 -0.046 0.000 0.925 177 D HN 0.283 nan 8.370 nan 0.000 0.510 178 I N -3.450 117.084 120.570 -0.061 0.000 3.279 178 I HA 0.699 4.864 4.170 -0.008 0.000 0.315 178 I C -1.206 174.891 176.117 -0.034 0.000 1.187 178 I CA -1.603 59.678 61.300 -0.032 0.000 0.953 178 I CB 2.598 40.579 38.000 -0.033 0.000 1.279 178 I HN -0.190 nan 8.210 nan 0.000 0.465 179 V N 0.909 120.815 119.914 -0.014 0.000 2.841 179 V HA 0.713 4.828 4.120 -0.008 0.000 0.310 179 V C -0.978 175.125 176.094 0.015 0.000 1.090 179 V CA -0.542 61.748 62.300 -0.018 0.000 0.930 179 V CB 1.781 33.572 31.823 -0.054 0.000 1.014 179 V HN 0.755 nan 8.190 nan 0.000 0.425 180 I N 4.846 125.433 120.570 0.028 0.000 2.503 180 I HA 0.377 4.542 4.170 -0.008 0.000 0.282 180 I C -1.500 174.663 176.117 0.078 0.000 1.059 180 I CA -0.432 60.901 61.300 0.055 0.000 1.081 180 I CB 1.691 39.718 38.000 0.046 0.000 1.210 180 I HN 0.779 nan 8.210 nan 0.000 0.450 181 Y N 5.735 126.000 120.300 -0.058 0.000 2.326 181 Y HA 0.348 4.893 4.550 -0.008 0.000 0.337 181 Y C 0.109 176.012 175.900 0.006 0.000 1.023 181 Y CA -0.633 57.402 58.100 -0.107 0.000 1.143 181 Y CB 1.273 39.543 38.460 -0.317 0.000 1.183 181 Y HN 0.487 nan 8.280 nan 0.000 0.485 182 Q N 6.721 126.168 119.800 -0.589 0.000 3.091 182 Q HA 0.082 4.417 4.340 -0.008 0.000 0.301 182 Q C -1.484 174.249 176.000 -0.445 0.000 1.337 182 Q CA -0.401 55.166 55.803 -0.394 0.000 1.083 182 Q CB 0.140 28.691 28.738 -0.311 0.000 1.477 182 Q HN 0.598 nan 8.270 nan 0.000 0.537 183 Y N 3.937 123.961 120.300 -0.459 0.000 2.676 183 Y HA 0.206 4.751 4.550 -0.008 0.000 0.338 183 Y C 0.081 176.040 175.900 0.099 0.000 1.057 183 Y CA -0.592 57.398 58.100 -0.184 0.000 1.314 183 Y CB -0.062 38.352 38.460 -0.077 0.000 1.164 183 Y HN 0.454 nan 8.280 nan 0.000 0.509 184 M N 1.739 121.235 119.600 -0.172 0.000 7.319 184 M HA -0.360 4.115 4.480 -0.008 0.000 0.182 184 M C 0.619 176.893 176.300 -0.042 0.000 0.480 184 M CA 1.594 56.781 55.300 -0.188 0.000 1.311 184 M CB -1.354 30.926 32.600 -0.534 0.000 0.421 184 M HN 0.597 nan 8.290 nan 0.000 0.539 185 D N 1.365 121.705 120.400 -0.099 0.000 2.403 185 D HA 0.044 4.679 4.640 -0.008 0.000 0.227 185 D C -0.173 176.090 176.300 -0.063 0.000 0.995 185 D CA 0.964 54.929 54.000 -0.059 0.000 0.928 185 D CB -0.133 40.590 40.800 -0.127 0.000 0.887 185 D HN 0.268 nan 8.370 nan 0.000 0.529 186 D N 0.180 120.526 120.400 -0.089 0.000 2.252 186 D HA 0.348 4.983 4.640 -0.008 0.000 0.245 186 D C -0.547 175.678 176.300 -0.125 0.000 1.009 186 D CA -0.696 53.189 54.000 -0.193 0.000 0.870 186 D CB 2.320 42.883 40.800 -0.394 0.000 1.251 186 D HN -0.119 nan 8.370 nan 0.000 0.460 187 L N 2.538 123.638 121.223 -0.206 0.000 2.417 187 L HA 0.259 4.594 4.340 -0.008 0.000 0.259 187 L C -1.604 175.223 176.870 -0.071 0.000 1.023 187 L CA -0.605 54.200 54.840 -0.057 0.000 0.901 187 L CB 0.212 42.246 42.059 -0.042 0.000 1.227 187 L HN 0.188 nan 8.230 nan 0.000 0.454 188 Y N 3.667 123.939 120.300 -0.047 0.000 2.359 188 Y HA 0.525 5.070 4.550 -0.008 0.000 0.334 188 Y C 0.279 176.152 175.900 -0.046 0.000 1.058 188 Y CA -0.695 57.363 58.100 -0.070 0.000 1.244 188 Y CB 0.759 39.124 38.460 -0.159 0.000 1.187 188 Y HN 0.200 nan 8.280 nan 0.000 0.510 189 V N 2.625 122.606 119.914 0.112 0.000 2.680 189 V HA 0.924 5.039 4.120 -0.008 0.000 0.309 189 V C 0.285 176.452 176.094 0.122 0.000 1.052 189 V CA -0.829 61.534 62.300 0.104 0.000 0.908 189 V CB 1.884 33.773 31.823 0.111 0.000 1.001 189 V HN 0.937 nan 8.190 nan 0.000 0.431 190 G N 1.578 110.432 108.800 0.089 0.000 2.619 190 G HA2 0.817 4.772 3.960 -0.008 0.000 0.296 190 G HA3 0.817 4.772 3.960 -0.008 0.000 0.296 190 G C -0.870 174.073 174.900 0.071 0.000 1.334 190 G CA -0.081 45.055 45.100 0.059 0.000 0.934 190 G HN 1.119 nan 8.290 nan 0.000 0.476 191 S N -0.959 114.752 115.700 0.017 0.000 2.615 191 S HA 0.666 5.131 4.470 -0.008 0.000 0.269 191 S C -2.000 172.569 174.600 -0.051 0.000 1.161 191 S CA -0.779 57.438 58.200 0.028 0.000 0.817 191 S CB 2.425 65.744 63.200 0.198 0.000 1.131 191 S HN 0.388 nan 8.310 nan 0.000 0.467 192 D N 0.691 121.074 120.400 -0.028 0.000 2.468 192 D HA 0.641 5.275 4.640 -0.008 0.000 0.272 192 D C -1.070 175.220 176.300 -0.017 0.000 1.221 192 D CA -0.136 53.841 54.000 -0.038 0.000 0.860 192 D CB 0.454 41.230 40.800 -0.040 0.000 1.190 192 D HN 0.652 nan 8.370 nan 0.000 0.509 193 L N -0.902 120.315 121.223 -0.009 0.000 2.933 193 L HA 0.493 4.828 4.340 -0.008 0.000 0.271 193 L C -0.400 176.482 176.870 0.020 0.000 1.071 193 L CA -1.505 53.342 54.840 0.012 0.000 0.938 193 L CB 0.030 42.106 42.059 0.029 0.000 1.534 193 L HN 0.069 nan 8.230 nan 0.000 0.396 194 E N 0.740 120.957 120.200 0.029 0.000 2.608 194 E HA -0.029 4.316 4.350 -0.008 0.000 0.259 194 E C 0.772 177.408 176.600 0.060 0.000 0.951 194 E CA 0.239 56.660 56.400 0.035 0.000 0.945 194 E CB 0.743 30.463 29.700 0.034 0.000 0.916 194 E HN 0.743 nan 8.360 nan 0.000 0.477 195 I N 3.551 124.152 120.570 0.052 0.000 2.908 195 I HA -0.190 3.975 4.170 -0.008 0.000 0.271 195 I C 1.469 177.655 176.117 0.116 0.000 1.275 195 I CA 1.501 62.850 61.300 0.082 0.000 1.446 195 I CB -0.210 37.824 38.000 0.057 0.000 1.092 195 I HN 0.789 nan 8.210 nan 0.000 0.482 196 G N -0.421 108.431 108.800 0.086 0.000 2.471 196 G HA2 -0.156 3.799 3.960 -0.008 0.000 0.211 196 G HA3 -0.156 3.799 3.960 -0.008 0.000 0.211 196 G C 1.393 176.341 174.900 0.080 0.000 1.194 196 G CA 0.197 45.341 45.100 0.073 0.000 0.816 196 G HN 0.383 nan 8.290 nan 0.000 0.545 197 Q N -0.488 119.359 119.800 0.078 0.000 2.061 197 Q HA -0.178 4.156 4.340 -0.008 0.000 0.204 197 Q C 2.181 178.238 176.000 0.094 0.000 0.984 197 Q CA 1.649 57.494 55.803 0.070 0.000 0.846 197 Q CB -0.295 28.479 28.738 0.059 0.000 0.902 197 Q HN 0.681 nan 8.270 nan 0.000 0.421 198 H N 1.037 120.126 119.070 0.032 0.000 2.296 198 H HA -0.190 4.361 4.556 -0.008 0.000 0.291 198 H C 1.923 177.284 175.328 0.056 0.000 1.074 198 H CA 2.448 58.521 56.048 0.042 0.000 1.176 198 H CB -0.065 29.724 29.762 0.045 0.000 1.357 198 H HN 0.071 nan 8.280 nan 0.000 0.520 199 R N -0.860 119.619 120.500 -0.035 0.000 2.153 199 R HA -0.173 4.162 4.340 -0.008 0.000 0.252 199 R C 2.492 178.759 176.300 -0.056 0.000 1.158 199 R CA 1.914 57.965 56.100 -0.081 0.000 0.975 199 R CB -0.661 29.658 30.300 0.032 0.000 0.871 199 R HN 0.424 nan 8.270 nan 0.000 0.450 200 T N 0.892 115.441 114.554 -0.008 0.000 2.614 200 T HA -0.118 4.227 4.350 -0.008 0.000 0.263 200 T C 1.631 176.342 174.700 0.018 0.000 1.055 200 T CA 1.152 63.259 62.100 0.012 0.000 1.162 200 T CB -0.080 68.805 68.868 0.029 0.000 0.863 200 T HN 0.258 nan 8.240 nan 0.000 0.414 201 K N 0.623 121.035 120.400 0.019 0.000 2.218 201 K HA -0.079 4.236 4.320 -0.008 0.000 0.205 201 K C 2.025 178.682 176.600 0.094 0.000 1.046 201 K CA 0.877 57.203 56.287 0.066 0.000 0.933 201 K CB -0.248 32.271 32.500 0.031 0.000 0.728 201 K HN 0.291 nan 8.250 nan 0.000 0.454 202 I N 1.432 121.983 120.570 -0.031 0.000 2.493 202 I HA -0.183 3.982 4.170 -0.008 0.000 0.254 202 I C 2.011 178.134 176.117 0.009 0.000 1.160 202 I CA 1.331 62.610 61.300 -0.036 0.000 1.445 202 I CB -0.704 37.213 38.000 -0.138 0.000 1.086 202 I HN 0.152 nan 8.210 nan 0.000 0.433 203 E N 0.832 121.042 120.200 0.017 0.000 2.051 203 E HA -0.129 4.216 4.350 -0.008 0.000 0.189 203 E C 1.952 178.573 176.600 0.035 0.000 0.979 203 E CA 0.620 57.032 56.400 0.019 0.000 0.803 203 E CB -0.202 29.510 29.700 0.020 0.000 0.761 203 E HN 0.519 nan 8.360 nan 0.000 0.451 204 E N 0.633 120.889 120.200 0.093 0.000 2.219 204 E HA -0.204 4.141 4.350 -0.008 0.000 0.198 204 E C 1.959 178.557 176.600 -0.004 0.000 0.998 204 E CA 0.676 57.167 56.400 0.151 0.000 0.818 204 E CB -0.046 29.834 29.700 0.301 0.000 0.741 204 E HN 0.046 nan 8.360 nan 0.000 0.477 205 L N 0.909 122.095 121.223 -0.061 0.000 2.121 205 L HA -0.034 4.301 4.340 -0.008 0.000 0.200 205 L C 2.033 178.770 176.870 -0.222 0.000 1.077 205 L CA 1.384 55.941 54.840 -0.471 0.000 0.766 205 L CB -0.222 41.763 42.059 -0.123 0.000 0.931 205 L HN -0.163 nan 8.230 nan 0.000 0.452 206 R N -0.369 120.083 120.500 -0.079 0.000 2.185 206 R HA -0.260 4.075 4.340 -0.008 0.000 0.247 206 R C 2.176 178.465 176.300 -0.020 0.000 1.159 206 R CA 1.784 57.864 56.100 -0.032 0.000 0.988 206 R CB -0.620 29.675 30.300 -0.009 0.000 0.871 206 R HN 0.622 nan 8.270 nan 0.000 0.458 207 Q N 0.097 119.881 119.800 -0.026 0.000 2.083 207 Q HA -0.191 4.144 4.340 -0.008 0.000 0.198 207 Q C 1.906 177.911 176.000 0.009 0.000 0.969 207 Q CA 1.396 57.197 55.803 -0.003 0.000 0.838 207 Q CB -0.031 28.712 28.738 0.010 0.000 0.900 207 Q HN 0.429 nan 8.270 nan 0.000 0.436 208 H N 0.510 119.486 119.070 -0.157 0.000 2.267 208 H HA -0.114 4.437 4.556 -0.008 0.000 0.297 208 H C 1.805 177.175 175.328 0.069 0.000 1.080 208 H CA 2.228 58.206 56.048 -0.117 0.000 1.278 208 H CB -0.324 29.170 29.762 -0.446 0.000 1.365 208 H HN 0.242 nan 8.280 nan 0.000 0.489 209 L N -0.070 121.202 121.223 0.082 0.000 2.351 209 L HA -0.154 4.181 4.340 -0.008 0.000 0.220 209 L C 2.152 179.097 176.870 0.125 0.000 1.127 209 L CA 0.500 55.400 54.840 0.100 0.000 0.786 209 L CB -0.357 41.726 42.059 0.040 0.000 0.914 209 L HN 0.308 nan 8.230 nan 0.000 0.443 210 L N -0.375 120.885 121.223 0.063 0.000 2.478 210 L HA -0.051 4.284 4.340 -0.008 0.000 0.223 210 L C 2.202 179.075 176.870 0.004 0.000 1.140 210 L CA 1.197 56.059 54.840 0.038 0.000 0.842 210 L CB -0.303 41.762 42.059 0.010 0.000 0.953 210 L HN 0.001 nan 8.230 nan 0.000 0.452 211 R N -1.604 118.876 120.500 -0.034 0.000 2.313 211 R HA 0.013 4.348 4.340 -0.008 0.000 0.199 211 R C 0.858 176.952 176.300 -0.345 0.000 0.958 211 R CA 0.536 56.491 56.100 -0.240 0.000 1.047 211 R CB -0.156 29.874 30.300 -0.449 0.000 0.955 211 R HN 0.423 nan 8.270 nan 0.000 0.481 212 W N -0.678 120.561 121.300 -0.102 0.000 2.684 212 W HA 0.313 4.968 4.660 -0.008 0.000 0.381 212 W C 0.421 176.921 176.519 -0.033 0.000 0.975 212 W CA 0.269 57.575 57.345 -0.066 0.000 1.789 212 W CB 0.786 30.204 29.460 -0.069 0.000 1.161 212 W HN 0.284 nan 8.180 nan 0.000 0.564 213 G N 1.771 110.643 108.800 0.120 0.000 2.153 213 G HA2 -0.314 3.641 3.960 -0.008 0.000 0.252 213 G HA3 -0.314 3.641 3.960 -0.008 0.000 0.252 213 G C 0.057 175.019 174.900 0.104 0.000 0.994 213 G CA -0.095 45.055 45.100 0.084 0.000 0.698 213 G HN 0.149 nan 8.290 nan 0.000 0.521 214 L N 2.368 123.671 121.223 0.132 0.000 2.342 214 L HA 0.353 4.688 4.340 -0.008 0.000 0.285 214 L C 1.184 178.098 176.870 0.073 0.000 1.095 214 L CA 0.295 55.198 54.840 0.105 0.000 0.843 214 L CB 0.342 42.464 42.059 0.104 0.000 1.201 214 L HN 0.375 nan 8.230 nan 0.000 0.445 215 T N -0.257 114.336 114.554 0.066 0.000 2.845 215 T HA 0.581 4.926 4.350 -0.008 0.000 0.288 215 T C 0.151 174.877 174.700 0.044 0.000 0.980 215 T CA -0.679 61.450 62.100 0.050 0.000 1.071 215 T CB 1.645 70.543 68.868 0.050 0.000 0.941 215 T HN 0.613 nan 8.240 nan 0.000 0.487 216 T N -0.464 114.109 114.554 0.032 0.000 2.912 216 T HA 0.506 4.851 4.350 -0.008 0.000 0.299 216 T C -2.745 171.967 174.700 0.020 0.000 1.052 216 T CA -1.891 60.224 62.100 0.026 0.000 0.996 216 T CB 1.191 70.071 68.868 0.021 0.000 1.070 216 T HN 0.291 nan 8.240 nan 0.000 0.465 217 P HA 0.044 nan 4.420 nan 0.000 0.304 217 P C 0.210 177.514 177.300 0.007 0.000 1.487 217 P CA 1.149 64.257 63.100 0.013 0.000 0.753 217 P CB -0.736 30.971 31.700 0.013 0.000 1.663 218 D N 0.194 120.598 120.400 0.007 0.000 2.708 218 D HA -0.281 4.354 4.640 -0.008 0.000 0.236 218 D C 0.579 176.875 176.300 -0.008 0.000 1.146 218 D CA 1.365 55.365 54.000 -0.000 0.000 0.662 218 D CB -1.903 38.894 40.800 -0.005 0.000 1.059 218 D HN 0.440 nan 8.370 nan 0.000 0.428 219 K N -0.218 120.188 120.400 0.010 0.000 2.927 219 K HA -0.347 3.967 4.320 -0.008 0.000 0.265 219 K C 0.416 176.978 176.600 -0.064 0.000 1.037 219 K CA 1.850 58.155 56.287 0.030 0.000 0.783 219 K CB -1.164 31.358 32.500 0.037 0.000 1.211 219 K HN 0.621 nan 8.250 nan 0.000 0.470 220 K N 1.505 121.866 120.400 -0.065 0.000 3.277 220 K HA -0.032 4.283 4.320 -0.008 0.000 0.280 220 K C -0.394 176.155 176.600 -0.084 0.000 1.182 220 K CA 0.038 56.253 56.287 -0.120 0.000 1.219 220 K CB -0.448 32.018 32.500 -0.058 0.000 1.373 220 K HN 0.394 nan 8.250 nan 0.000 0.392 221 H N -0.175 118.895 119.070 0.000 0.000 3.286 221 H HA -0.059 4.492 4.556 -0.008 0.000 0.245 221 H C 0.976 176.299 175.328 -0.008 0.000 0.932 221 H CA -0.057 55.986 56.048 -0.009 0.000 1.407 221 H CB 0.349 30.111 29.762 -0.000 0.000 1.540 221 H HN 0.310 nan 8.280 nan 0.000 0.516 222 Q N 2.087 121.940 119.800 0.088 0.000 2.325 222 Q HA -0.163 4.172 4.340 -0.008 0.000 0.211 222 Q C 0.346 176.392 176.000 0.077 0.000 0.988 222 Q CA 1.430 57.260 55.803 0.045 0.000 0.887 222 Q CB 0.059 28.814 28.738 0.029 0.000 0.915 222 Q HN 0.559 nan 8.270 nan 0.000 0.440 223 K N 0.977 121.461 120.400 0.140 0.000 2.273 223 K HA 0.210 4.525 4.320 -0.008 0.000 0.240 223 K C -0.147 176.559 176.600 0.177 0.000 1.056 223 K CA 0.191 56.525 56.287 0.078 0.000 0.910 223 K CB 0.270 32.784 32.500 0.023 0.000 1.196 223 K HN 0.416 nan 8.250 nan 0.000 0.509 224 E N -1.429 118.689 120.200 -0.137 0.000 2.532 224 E HA 0.120 4.465 4.350 -0.008 0.000 0.289 224 E C -2.984 173.293 176.600 -0.538 0.000 1.165 224 E CA -1.374 54.947 56.400 -0.131 0.000 0.926 224 E CB 0.207 29.942 29.700 0.060 0.000 1.164 224 E HN 0.185 nan 8.360 nan 0.000 0.436 225 P HA 0.117 nan 4.420 nan 0.000 0.267 225 P C -2.306 174.816 177.300 -0.297 0.000 1.201 225 P CA -0.578 62.282 63.100 -0.399 0.000 0.775 225 P CB -0.465 31.305 31.700 0.117 0.000 0.854 226 P HA 0.318 nan 4.420 nan 0.000 0.276 226 P C -0.860 176.304 177.300 -0.227 0.000 1.244 226 P CA 0.099 63.036 63.100 -0.273 0.000 0.801 226 P CB 0.290 31.731 31.700 -0.430 0.000 1.006 227 F N 0.416 120.422 119.950 0.093 0.000 2.508 227 F HA 0.448 4.970 4.527 -0.009 0.000 0.325 227 F C 0.046 175.988 175.800 0.236 0.000 1.090 227 F CA -0.709 57.396 58.000 0.175 0.000 0.945 227 F CB 0.977 40.088 39.000 0.184 0.000 1.156 227 F HN -0.064 nan 8.300 nan 0.000 0.463 228 L N 2.624 124.101 121.223 0.424 0.000 2.276 228 L HA 0.340 4.675 4.340 -0.008 0.000 0.286 228 L C -1.451 175.688 176.870 0.448 0.000 1.024 228 L CA -0.422 54.640 54.840 0.369 0.000 0.826 228 L CB 1.083 43.291 42.059 0.247 0.000 1.211 228 L HN 0.667 nan 8.230 nan 0.000 0.422 229 W N 6.482 127.911 121.300 0.216 0.000 2.781 229 W HA 0.428 5.083 4.660 -0.008 0.000 0.333 229 W C 0.000 176.622 176.519 0.171 0.000 1.047 229 W CA -1.000 56.410 57.345 0.109 0.000 1.236 229 W CB 1.340 30.782 29.460 -0.029 0.000 1.394 229 W HN 0.379 nan 8.180 nan 0.000 0.466 230 M N 5.611 124.943 119.600 -0.446 0.000 2.210 230 M HA -0.219 4.256 4.480 -0.008 0.000 0.198 230 M C 1.103 177.178 176.300 -0.375 0.000 0.319 230 M CA 1.909 56.893 55.300 -0.526 0.000 0.399 230 M CB -2.375 29.663 32.600 -0.936 0.000 1.227 230 M HN 1.406 nan 8.290 nan 0.000 0.931 231 G N -1.707 106.952 108.800 -0.236 0.000 2.157 231 G HA2 -0.286 3.669 3.960 -0.008 0.000 0.248 231 G HA3 -0.286 3.669 3.960 -0.008 0.000 0.248 231 G C -0.281 174.548 174.900 -0.118 0.000 0.979 231 G CA 0.438 45.387 45.100 -0.252 0.000 0.650 231 G HN 0.610 nan 8.290 nan 0.000 0.529 232 Y N -0.287 120.142 120.300 0.217 0.000 2.631 232 Y HA 0.742 5.287 4.550 -0.009 0.000 0.328 232 Y C 0.644 176.739 175.900 0.325 0.000 1.118 232 Y CA -1.285 57.002 58.100 0.313 0.000 1.206 232 Y CB 1.151 39.797 38.460 0.309 0.000 1.337 232 Y HN 0.026 nan 8.280 nan 0.000 0.515 233 E N 1.776 122.310 120.200 0.556 0.000 2.267 233 E HA 0.378 4.723 4.350 -0.008 0.000 0.248 233 E C -1.594 175.372 176.600 0.610 0.000 0.899 233 E CA -0.289 56.410 56.400 0.498 0.000 0.764 233 E CB 1.083 31.031 29.700 0.414 0.000 1.227 233 E HN 0.447 nan 8.360 nan 0.000 0.421 234 L N 3.665 125.253 121.223 0.608 0.000 2.307 234 L HA 0.504 4.839 4.340 -0.008 0.000 0.282 234 L C 0.312 177.598 176.870 0.693 0.000 1.051 234 L CA -0.453 54.758 54.840 0.618 0.000 0.804 234 L CB 0.821 43.131 42.059 0.418 0.000 1.197 234 L HN 0.452 nan 8.230 nan 0.000 0.431 235 H N 2.262 121.559 119.070 0.379 0.000 2.908 235 H HA 0.250 4.801 4.556 -0.008 0.000 0.350 235 H C -1.706 173.834 175.328 0.354 0.000 1.217 235 H CA -1.847 54.387 56.048 0.311 0.000 1.168 235 H CB 2.001 31.884 29.762 0.201 0.000 1.891 235 H HN 0.363 nan 8.280 nan 0.000 0.566 236 P HA -0.175 nan 4.420 nan 0.000 0.222 236 P C 0.317 177.843 177.300 0.377 0.000 1.142 236 P CA 1.794 65.067 63.100 0.289 0.000 0.788 236 P CB 0.354 32.166 31.700 0.187 0.000 0.767 237 D N -2.293 118.384 120.400 0.462 0.000 2.475 237 D HA 0.044 4.679 4.640 -0.008 0.000 0.306 237 D C 0.293 176.710 176.300 0.194 0.000 1.304 237 D CA -0.063 54.224 54.000 0.478 0.000 0.862 237 D CB 0.099 41.060 40.800 0.270 0.000 1.306 237 D HN 0.314 nan 8.370 nan 0.000 0.494 238 K N -0.278 120.172 120.400 0.085 0.000 2.509 238 K HA 0.692 5.007 4.320 -0.008 0.000 0.266 238 K C -1.199 175.366 176.600 -0.058 0.000 0.987 238 K CA -0.983 55.234 56.287 -0.117 0.000 0.868 238 K CB 2.438 34.835 32.500 -0.171 0.000 1.421 238 K HN 0.108 nan 8.250 nan 0.000 0.444 239 W N -0.297 120.874 121.300 -0.215 0.000 3.275 239 W HA 0.633 5.287 4.660 -0.009 0.000 0.306 239 W C -2.134 174.373 176.519 -0.019 0.000 1.259 239 W CA -0.720 56.581 57.345 -0.075 0.000 1.194 239 W CB 1.136 30.540 29.460 -0.093 0.000 1.375 239 W HN 0.824 nan 8.180 nan 0.000 0.564 240 T N 0.800 115.423 114.554 0.116 0.000 2.827 240 T HA 0.395 4.740 4.350 -0.008 0.000 0.328 240 T C -0.688 174.168 174.700 0.261 0.000 1.598 240 T CA -0.266 61.755 62.100 -0.133 0.000 1.043 240 T CB 1.069 69.780 68.868 -0.262 0.000 1.447 240 T HN 1.034 nan 8.240 nan 0.000 0.491 241 V N 2.123 122.144 119.914 0.179 0.000 2.901 241 V HA 0.368 4.483 4.120 -0.008 0.000 0.307 241 V C 0.519 176.754 176.094 0.236 0.000 1.084 241 V CA -0.312 62.154 62.300 0.276 0.000 1.184 241 V CB -0.070 31.944 31.823 0.318 0.000 0.941 241 V HN 0.915 nan 8.190 nan 0.000 0.493 242 Q N 3.886 123.810 119.800 0.207 0.000 2.311 242 Q HA 0.228 4.563 4.340 -0.008 0.000 0.272 242 Q C -2.233 173.858 176.000 0.151 0.000 1.012 242 Q CA -1.375 54.524 55.803 0.161 0.000 0.891 242 Q CB 0.145 28.946 28.738 0.105 0.000 1.201 242 Q HN 0.635 nan 8.270 nan 0.000 0.391 243 P HA -0.113 nan 4.420 nan 0.000 0.251 243 P C -0.872 176.479 177.300 0.085 0.000 1.154 243 P CA 1.106 64.281 63.100 0.126 0.000 0.805 243 P CB 0.065 31.824 31.700 0.099 0.000 0.759 244 I N 3.938 124.559 120.570 0.084 0.000 2.750 244 I HA 0.112 4.277 4.170 -0.008 0.000 0.279 244 I C 0.517 176.641 176.117 0.012 0.000 1.206 244 I CA -0.875 60.449 61.300 0.040 0.000 1.101 244 I CB 1.133 39.154 38.000 0.034 0.000 1.431 244 I HN 0.110 nan 8.210 nan 0.000 0.551 245 V N 5.697 125.614 119.914 0.006 0.000 3.332 245 V HA 0.099 4.214 4.120 -0.008 0.000 0.305 245 V C 0.398 176.489 176.094 -0.004 0.000 1.114 245 V CA 0.162 62.453 62.300 -0.016 0.000 1.194 245 V CB 1.155 32.978 31.823 -0.001 0.000 1.027 245 V HN 0.418 nan 8.190 nan 0.000 0.492 246 L N 6.873 128.091 121.223 -0.007 0.000 2.315 246 L HA 0.348 4.683 4.340 -0.008 0.000 0.283 246 L C -1.897 175.026 176.870 0.089 0.000 1.089 246 L CA -1.561 53.302 54.840 0.038 0.000 0.833 246 L CB 0.557 42.624 42.059 0.014 0.000 1.170 246 L HN 0.582 nan 8.230 nan 0.000 0.442 247 P HA -0.034 nan 4.420 nan 0.000 0.271 247 P C -0.636 176.744 177.300 0.133 0.000 1.233 247 P CA -0.036 63.121 63.100 0.096 0.000 0.795 247 P CB 0.497 32.240 31.700 0.071 0.000 0.936 248 E N 2.000 122.205 120.200 0.009 0.000 2.149 248 E HA 0.299 4.644 4.350 -0.008 0.000 0.255 248 E C -0.341 176.145 176.600 -0.190 0.000 0.888 248 E CA -0.219 56.180 56.400 -0.001 0.000 0.742 248 E CB 1.168 30.866 29.700 -0.003 0.000 1.164 248 E HN 0.366 nan 8.360 nan 0.000 0.422 249 K N 0.873 121.031 120.400 -0.403 0.000 2.283 249 K HA 0.339 4.654 4.320 -0.008 0.000 0.257 249 K C -0.011 176.222 176.600 -0.611 0.000 1.066 249 K CA -0.615 55.235 56.287 -0.728 0.000 0.891 249 K CB 1.381 33.086 32.500 -1.324 0.000 1.438 249 K HN 0.240 nan 8.250 nan 0.000 0.464 250 D N -1.529 118.517 120.400 -0.590 0.000 2.480 250 D HA -0.042 4.593 4.640 -0.008 0.000 0.276 250 D C -0.387 175.747 176.300 -0.277 0.000 1.294 250 D CA -0.079 53.759 54.000 -0.271 0.000 0.829 250 D CB 0.194 40.927 40.800 -0.112 0.000 1.242 250 D HN 0.290 nan 8.370 nan 0.000 0.513 251 S N 0.295 115.717 115.700 -0.464 0.000 2.078 251 S HA 0.427 4.892 4.470 -0.008 0.000 0.168 251 S C -0.885 173.559 174.600 -0.259 0.000 1.542 251 S CA -0.859 57.188 58.200 -0.255 0.000 1.223 251 S CB -1.120 61.967 63.200 -0.189 0.000 1.152 251 S HN 0.153 nan 8.310 nan 0.000 0.452 252 W N 2.004 123.298 121.300 -0.010 0.000 2.437 252 W HA 0.495 5.150 4.660 -0.008 0.000 0.312 252 W C 1.064 177.577 176.519 -0.009 0.000 1.242 252 W CA -0.442 56.897 57.345 -0.011 0.000 1.340 252 W CB 0.640 30.093 29.460 -0.011 0.000 1.327 252 W HN 0.362 nan 8.180 nan 0.000 0.476 253 T N 1.072 115.731 114.554 0.175 0.000 2.884 253 T HA 0.135 4.480 4.350 -0.008 0.000 0.277 253 T C 1.145 175.907 174.700 0.104 0.000 0.976 253 T CA -0.678 61.485 62.100 0.106 0.000 0.956 253 T CB 1.251 70.150 68.868 0.053 0.000 1.113 253 T HN 0.203 nan 8.240 nan 0.000 0.554 254 V N 2.656 122.609 119.914 0.065 0.000 2.546 254 V HA -0.125 3.990 4.120 -0.008 0.000 0.254 254 V C 2.567 178.690 176.094 0.049 0.000 1.076 254 V CA 1.966 64.295 62.300 0.049 0.000 1.087 254 V CB -0.720 31.122 31.823 0.032 0.000 0.674 254 V HN 0.753 nan 8.190 nan 0.000 0.470 255 N N -0.240 118.491 118.700 0.053 0.000 2.305 255 N HA -0.104 4.631 4.740 -0.008 0.000 0.179 255 N C 1.511 177.065 175.510 0.073 0.000 1.019 255 N CA 1.051 54.129 53.050 0.047 0.000 0.869 255 N CB -0.003 38.502 38.487 0.030 0.000 1.000 255 N HN 0.417 nan 8.380 nan 0.000 0.431 256 D N 0.772 121.238 120.400 0.110 0.000 2.178 256 D HA -0.062 4.573 4.640 -0.008 0.000 0.201 256 D C 1.751 178.201 176.300 0.250 0.000 0.980 256 D CA 0.662 54.774 54.000 0.186 0.000 0.842 256 D CB 0.192 41.128 40.800 0.226 0.000 0.948 256 D HN 0.421 nan 8.370 nan 0.000 0.472 257 I N 0.223 120.899 120.570 0.177 0.000 3.419 257 I HA -0.099 4.065 4.170 -0.008 0.000 0.286 257 I C 2.275 178.412 176.117 0.033 0.000 1.268 257 I CA 0.294 61.636 61.300 0.071 0.000 1.414 257 I CB 0.068 38.075 38.000 0.012 0.000 1.074 257 I HN -0.101 nan 8.210 nan 0.000 0.457 258 Q N 1.128 120.957 119.800 0.048 0.000 2.302 258 Q HA -0.015 4.320 4.340 -0.008 0.000 0.202 258 Q C 1.188 177.207 176.000 0.031 0.000 0.936 258 Q CA 0.764 56.584 55.803 0.029 0.000 0.886 258 Q CB 0.498 29.251 28.738 0.026 0.000 0.986 258 Q HN 0.064 nan 8.270 nan 0.000 0.487 259 K N 0.382 120.811 120.400 0.047 0.000 2.577 259 K HA 0.135 4.450 4.320 -0.008 0.000 0.210 259 K C 0.133 176.765 176.600 0.054 0.000 1.048 259 K CA 0.053 56.364 56.287 0.040 0.000 1.188 259 K CB 0.925 33.448 32.500 0.037 0.000 0.910 259 K HN 0.186 nan 8.250 nan 0.000 0.483 260 L N -1.191 120.060 121.223 0.047 0.000 3.284 260 L HA 0.159 4.494 4.340 -0.008 0.000 0.294 260 L C 1.239 178.110 176.870 0.002 0.000 1.183 260 L CA 0.342 55.201 54.840 0.033 0.000 1.056 260 L CB 0.627 42.704 42.059 0.030 0.000 1.513 260 L HN -0.114 nan 8.230 nan 0.000 0.601 261 V N -0.545 119.373 119.914 0.007 0.000 2.446 261 V HA 0.125 4.239 4.120 -0.008 0.000 0.244 261 V C 2.170 178.287 176.094 0.039 0.000 1.039 261 V CA 1.793 64.097 62.300 0.007 0.000 1.045 261 V CB 0.024 31.848 31.823 0.003 0.000 0.681 261 V HN 0.457 nan 8.190 nan 0.000 0.459 262 G N -0.547 108.281 108.800 0.047 0.000 2.422 262 G HA2 -0.214 3.741 3.960 -0.008 0.000 0.218 262 G HA3 -0.214 3.741 3.960 -0.008 0.000 0.218 262 G C 1.614 176.585 174.900 0.120 0.000 1.140 262 G CA 0.810 45.957 45.100 0.079 0.000 0.775 262 G HN 0.506 nan 8.290 nan 0.000 0.545 263 K N -0.207 120.240 120.400 0.077 0.000 2.057 263 K HA 0.090 4.405 4.320 -0.008 0.000 0.206 263 K C 2.459 179.127 176.600 0.112 0.000 1.050 263 K CA 0.728 57.069 56.287 0.090 0.000 0.935 263 K CB -0.241 32.281 32.500 0.037 0.000 0.715 263 K HN 0.266 nan 8.250 nan 0.000 0.439 264 L N 0.954 122.213 121.223 0.060 0.000 2.072 264 L HA -0.154 4.181 4.340 -0.008 0.000 0.205 264 L C 2.151 179.073 176.870 0.086 0.000 1.079 264 L CA 0.759 55.621 54.840 0.036 0.000 0.752 264 L CB -0.473 41.582 42.059 -0.006 0.000 0.906 264 L HN 0.192 nan 8.230 nan 0.000 0.436 265 N N -0.326 118.436 118.700 0.103 0.000 2.069 265 N HA -0.256 4.479 4.740 -0.008 0.000 0.191 265 N C 1.563 177.168 175.510 0.159 0.000 1.031 265 N CA 1.363 54.483 53.050 0.116 0.000 0.852 265 N CB -0.271 38.289 38.487 0.121 0.000 1.018 265 N HN 0.472 nan 8.380 nan 0.000 0.423 266 W N 1.740 123.064 121.300 0.040 0.000 2.467 266 W HA 0.055 4.710 4.660 -0.009 0.000 0.275 266 W C 1.772 178.356 176.519 0.108 0.000 1.239 266 W CA 1.242 58.615 57.345 0.046 0.000 1.266 266 W CB -0.103 29.353 29.460 -0.005 0.000 1.112 266 W HN 0.012 nan 8.180 nan 0.000 0.576 267 A N 0.669 123.660 122.820 0.285 0.000 2.014 267 A HA -0.189 4.126 4.320 -0.008 0.000 0.218 267 A C 2.062 179.843 177.584 0.328 0.000 1.163 267 A CA 1.986 54.259 52.037 0.394 0.000 0.652 267 A CB -1.152 17.976 19.000 0.212 0.000 0.808 267 A HN 0.318 nan 8.150 nan 0.000 0.449 268 S N -0.021 115.764 115.700 0.142 0.000 2.440 268 S HA -0.293 4.172 4.470 -0.008 0.000 0.240 268 S C 1.749 176.342 174.600 -0.011 0.000 1.014 268 S CA 1.505 59.739 58.200 0.057 0.000 0.980 268 S CB -0.650 62.560 63.200 0.016 0.000 0.775 268 S HN 0.703 nan 8.310 nan 0.000 0.499 269 Q N -0.385 119.398 119.800 -0.028 0.000 2.181 269 Q HA 0.005 4.340 4.340 -0.008 0.000 0.205 269 Q C 1.800 177.819 176.000 0.032 0.000 0.980 269 Q CA 1.587 57.388 55.803 -0.003 0.000 0.862 269 Q CB -0.158 28.559 28.738 -0.034 0.000 0.905 269 Q HN 0.692 nan 8.270 nan 0.000 0.429 270 I N -2.364 118.156 120.570 -0.085 0.000 4.770 270 I HA 0.038 4.202 4.170 -0.008 0.000 0.327 270 I C -0.690 175.249 176.117 -0.296 0.000 1.271 270 I CA -0.165 60.980 61.300 -0.257 0.000 1.320 270 I CB 0.789 38.469 38.000 -0.534 0.000 1.319 270 I HN -0.107 nan 8.210 nan 0.000 0.462 271 Y N 5.227 125.485 120.300 -0.069 0.000 2.531 271 Y HA 0.368 4.913 4.550 -0.009 0.000 0.347 271 Y C -1.921 173.945 175.900 -0.056 0.000 1.024 271 Y CA -2.650 55.415 58.100 -0.058 0.000 1.306 271 Y CB -0.412 38.027 38.460 -0.036 0.000 1.149 271 Y HN 0.117 nan 8.280 nan 0.000 0.527 272 P HA 0.102 nan 4.420 nan 0.000 0.269 272 P C 0.744 178.064 177.300 0.034 0.000 1.263 272 P CA 0.786 63.901 63.100 0.025 0.000 0.813 272 P CB 0.631 32.341 31.700 0.016 0.000 0.868 273 G N 3.665 112.477 108.800 0.019 0.000 2.227 273 G HA2 -0.152 3.803 3.960 -0.008 0.000 0.168 273 G HA3 -0.152 3.803 3.960 -0.008 0.000 0.168 273 G C 0.061 174.963 174.900 0.003 0.000 1.006 273 G CA -0.617 44.489 45.100 0.010 0.000 0.684 273 G HN 0.401 nan 8.290 nan 0.000 0.489 274 I N 1.510 122.088 120.570 0.013 0.000 2.683 274 I HA 0.232 4.397 4.170 -0.008 0.000 0.286 274 I C 0.652 176.765 176.117 -0.008 0.000 1.175 274 I CA 0.830 62.131 61.300 0.001 0.000 1.429 274 I CB 0.323 38.336 38.000 0.022 0.000 1.371 274 I HN 0.148 nan 8.210 nan 0.000 0.569 275 K N 4.846 125.232 120.400 -0.023 0.000 2.375 275 K HA 0.602 4.916 4.320 -0.008 0.000 0.249 275 K C 0.029 176.608 176.600 -0.035 0.000 0.942 275 K CA -0.621 55.650 56.287 -0.026 0.000 0.806 275 K CB 2.938 35.415 32.500 -0.038 0.000 1.227 275 K HN 0.441 nan 8.250 nan 0.000 0.430 276 V N -0.934 118.961 119.914 -0.031 0.000 3.355 276 V HA 0.258 4.373 4.120 -0.008 0.000 0.330 276 V C 1.044 177.113 176.094 -0.042 0.000 1.479 276 V CA -0.245 62.032 62.300 -0.039 0.000 1.150 276 V CB 0.505 32.315 31.823 -0.021 0.000 1.044 276 V HN 0.653 nan 8.190 nan 0.000 0.501 277 R N 1.469 121.943 120.500 -0.043 0.000 2.070 277 R HA 0.027 4.362 4.340 -0.008 0.000 0.227 277 R C 2.182 178.452 176.300 -0.049 0.000 1.147 277 R CA 2.453 58.527 56.100 -0.042 0.000 0.924 277 R CB -0.472 29.803 30.300 -0.042 0.000 0.827 277 R HN 0.536 nan 8.270 nan 0.000 0.431 278 Q N 0.237 120.002 119.800 -0.057 0.000 2.443 278 Q HA -0.097 4.238 4.340 -0.008 0.000 0.213 278 Q C 1.785 177.738 176.000 -0.078 0.000 0.982 278 Q CA 1.012 56.776 55.803 -0.064 0.000 0.894 278 Q CB -0.020 28.677 28.738 -0.069 0.000 0.947 278 Q HN 0.432 nan 8.270 nan 0.000 0.480 279 L N -0.731 120.441 121.223 -0.085 0.000 2.585 279 L HA 0.096 4.431 4.340 -0.008 0.000 0.226 279 L C 1.557 178.386 176.870 -0.068 0.000 1.113 279 L CA 0.150 54.928 54.840 -0.102 0.000 0.876 279 L CB 0.329 42.310 42.059 -0.129 0.000 1.072 279 L HN -0.033 nan 8.230 nan 0.000 0.468 280 S N -0.844 114.826 115.700 -0.050 0.000 2.517 280 S HA 0.003 4.468 4.470 -0.008 0.000 0.214 280 S C 1.489 176.071 174.600 -0.030 0.000 0.991 280 S CA 0.111 58.291 58.200 -0.033 0.000 0.906 280 S CB 0.186 63.370 63.200 -0.028 0.000 0.789 280 S HN 0.215 nan 8.310 nan 0.000 0.513 281 K N 1.645 122.023 120.400 -0.036 0.000 2.627 281 K HA 0.258 4.573 4.320 -0.008 0.000 0.212 281 K C 0.181 176.764 176.600 -0.029 0.000 1.041 281 K CA 0.196 56.465 56.287 -0.031 0.000 1.205 281 K CB -0.109 32.370 32.500 -0.034 0.000 0.936 281 K HN 0.307 nan 8.250 nan 0.000 0.489 282 L N 1.040 122.245 121.223 -0.029 0.000 3.410 282 L HA 0.226 4.561 4.340 -0.008 0.000 0.309 282 L C -1.187 175.677 176.870 -0.011 0.000 1.254 282 L CA -0.470 54.356 54.840 -0.023 0.000 1.048 282 L CB 0.581 42.617 42.059 -0.038 0.000 1.442 282 L HN 0.043 nan 8.230 nan 0.000 0.615 283 L N -1.786 119.432 121.223 -0.010 0.000 2.680 283 L HA 0.489 4.824 4.340 -0.008 0.000 0.260 283 L C 0.173 177.041 176.870 -0.002 0.000 0.975 283 L CA -0.459 54.379 54.840 -0.002 0.000 0.920 283 L CB 0.703 42.763 42.059 0.000 0.000 1.234 283 L HN -0.043 nan 8.230 nan 0.000 0.429 284 R N 2.064 122.564 120.500 -0.000 0.000 2.502 284 R HA 0.498 4.833 4.340 -0.008 0.000 0.174 284 R C 0.898 177.200 176.300 0.003 0.000 1.201 284 R CA 0.699 56.799 56.100 -0.000 0.000 1.151 284 R CB -0.244 30.055 30.300 -0.001 0.000 1.202 284 R HN 0.647 nan 8.270 nan 0.000 0.509 285 G N 2.753 111.556 108.800 0.004 0.000 3.519 285 G HA2 0.128 4.083 3.960 -0.008 0.000 0.269 285 G HA3 0.128 4.083 3.960 -0.008 0.000 0.269 285 G C 0.264 175.168 174.900 0.006 0.000 1.028 285 G CA 0.297 45.400 45.100 0.005 0.000 0.809 285 G HN 0.531 nan 8.290 nan 0.000 0.521 286 T N -1.304 113.254 114.554 0.007 0.000 2.701 286 T HA 0.425 4.770 4.350 -0.008 0.000 0.303 286 T C 1.007 175.713 174.700 0.009 0.000 1.030 286 T CA 0.586 62.691 62.100 0.008 0.000 1.010 286 T CB 1.636 70.510 68.868 0.010 0.000 1.007 286 T HN 0.409 nan 8.240 nan 0.000 0.532 287 K N -0.843 119.563 120.400 0.010 0.000 3.105 287 K HA 0.412 4.727 4.320 -0.008 0.000 0.209 287 K C 0.917 177.522 176.600 0.010 0.000 1.828 287 K CA -0.130 56.162 56.287 0.009 0.000 1.382 287 K CB -0.214 32.291 32.500 0.008 0.000 2.153 287 K HN 0.587 nan 8.250 nan 0.000 0.588 288 A N 3.118 125.943 122.820 0.010 0.000 2.639 288 A HA 0.244 4.558 4.320 -0.008 0.000 0.295 288 A C 0.930 178.521 177.584 0.012 0.000 1.443 288 A CA -0.213 51.830 52.037 0.010 0.000 1.117 288 A CB -0.868 18.138 19.000 0.009 0.000 1.098 288 A HN 0.425 nan 8.150 nan 0.000 0.552 289 L N 2.280 123.510 121.223 0.012 0.000 2.651 289 L HA -0.167 4.168 4.340 -0.008 0.000 0.236 289 L C 2.423 179.304 176.870 0.018 0.000 1.173 289 L CA 1.387 56.237 54.840 0.016 0.000 0.843 289 L CB -0.761 41.306 42.059 0.014 0.000 0.964 289 L HN 0.918 nan 8.230 nan 0.000 0.454 290 T N -4.355 110.208 114.554 0.014 0.000 3.031 290 T HA -0.108 4.237 4.350 -0.008 0.000 0.254 290 T C 0.974 175.684 174.700 0.017 0.000 1.060 290 T CA -0.260 61.848 62.100 0.013 0.000 1.135 290 T CB -0.150 68.722 68.868 0.007 0.000 0.896 290 T HN 0.284 nan 8.240 nan 0.000 0.472 291 E N 3.300 123.511 120.200 0.018 0.000 2.351 291 E HA 0.108 4.453 4.350 -0.008 0.000 0.241 291 E C -0.010 176.609 176.600 0.031 0.000 1.243 291 E CA -0.493 55.919 56.400 0.021 0.000 0.963 291 E CB 0.002 29.713 29.700 0.018 0.000 1.042 291 E HN 0.504 nan 8.360 nan 0.000 0.468 292 V N 4.488 124.422 119.914 0.034 0.000 2.393 292 V HA 0.144 4.259 4.120 -0.008 0.000 0.257 292 V C 0.342 176.470 176.094 0.058 0.000 1.040 292 V CA -0.091 62.240 62.300 0.052 0.000 1.097 292 V CB -0.708 31.141 31.823 0.042 0.000 1.101 292 V HN 0.369 nan 8.190 nan 0.000 0.479 293 I N 6.087 126.696 120.570 0.065 0.000 2.396 293 I HA 0.422 4.587 4.170 -0.008 0.000 0.292 293 I C -1.791 174.367 176.117 0.069 0.000 0.999 293 I CA -2.066 59.265 61.300 0.052 0.000 1.310 293 I CB 1.053 39.073 38.000 0.034 0.000 1.404 293 I HN 0.386 nan 8.210 nan 0.000 0.496 294 P HA -0.049 nan 4.420 nan 0.000 0.267 294 P C -0.664 176.656 177.300 0.033 0.000 1.201 294 P CA -0.280 62.856 63.100 0.060 0.000 0.775 294 P CB 0.425 32.147 31.700 0.037 0.000 0.854 295 L N 3.803 125.047 121.223 0.034 0.000 2.315 295 L HA 0.233 4.568 4.340 -0.008 0.000 0.278 295 L C 0.285 177.127 176.870 -0.048 0.000 1.088 295 L CA -0.113 54.691 54.840 -0.060 0.000 0.899 295 L CB -0.817 41.156 42.059 -0.143 0.000 1.277 295 L HN 0.439 nan 8.230 nan 0.000 0.431 296 T N 0.321 114.845 114.554 -0.050 0.000 2.854 296 T HA -0.010 4.335 4.350 -0.008 0.000 0.336 296 T C 1.004 175.675 174.700 -0.047 0.000 1.095 296 T CA -0.292 61.785 62.100 -0.039 0.000 1.118 296 T CB 0.488 69.332 68.868 -0.040 0.000 1.025 296 T HN 0.560 nan 8.240 nan 0.000 0.549 297 E N 0.952 121.132 120.200 -0.033 0.000 2.338 297 E HA -0.085 4.260 4.350 -0.008 0.000 0.197 297 E C 1.912 178.486 176.600 -0.043 0.000 1.007 297 E CA 0.888 57.269 56.400 -0.032 0.000 0.849 297 E CB -0.098 29.590 29.700 -0.021 0.000 0.774 297 E HN 0.838 nan 8.360 nan 0.000 0.506 298 E N 0.463 120.635 120.200 -0.047 0.000 2.051 298 E HA -0.027 4.318 4.350 -0.008 0.000 0.189 298 E C 1.920 178.478 176.600 -0.070 0.000 0.979 298 E CA 0.904 57.273 56.400 -0.052 0.000 0.803 298 E CB -0.005 29.667 29.700 -0.047 0.000 0.761 298 E HN 0.173 nan 8.360 nan 0.000 0.451 299 A N 1.002 123.770 122.820 -0.088 0.000 2.119 299 A HA -0.129 4.186 4.320 -0.008 0.000 0.216 299 A C 1.927 179.423 177.584 -0.147 0.000 1.152 299 A CA 1.063 53.025 52.037 -0.124 0.000 0.708 299 A CB -0.128 18.780 19.000 -0.153 0.000 0.805 299 A HN 0.078 nan 8.150 nan 0.000 0.460 300 E N -0.074 120.057 120.200 -0.115 0.000 2.028 300 E HA -0.108 4.237 4.350 -0.008 0.000 0.190 300 E C 1.693 178.248 176.600 -0.076 0.000 0.984 300 E CA 1.047 57.387 56.400 -0.100 0.000 0.800 300 E CB -0.371 29.294 29.700 -0.058 0.000 0.758 300 E HN 0.374 nan 8.360 nan 0.000 0.448 301 L N 0.917 122.105 121.223 -0.059 0.000 2.456 301 L HA -0.013 4.322 4.340 -0.008 0.000 0.224 301 L C 1.943 178.780 176.870 -0.056 0.000 1.148 301 L CA 1.684 56.495 54.840 -0.048 0.000 0.825 301 L CB -0.287 41.748 42.059 -0.039 0.000 0.937 301 L HN 0.283 nan 8.230 nan 0.000 0.450 302 E N -0.841 119.315 120.200 -0.073 0.000 2.057 302 E HA -0.178 4.167 4.350 -0.008 0.000 0.190 302 E C 2.067 178.614 176.600 -0.089 0.000 0.969 302 E CA 0.765 57.118 56.400 -0.078 0.000 0.812 302 E CB -0.205 29.443 29.700 -0.086 0.000 0.777 302 E HN 0.409 nan 8.360 nan 0.000 0.455 303 L N 0.777 121.928 121.223 -0.120 0.000 2.353 303 L HA -0.001 4.334 4.340 -0.008 0.000 0.220 303 L C 1.992 178.812 176.870 -0.084 0.000 1.133 303 L CA 1.749 56.508 54.840 -0.135 0.000 0.798 303 L CB -0.187 41.735 42.059 -0.227 0.000 0.922 303 L HN 0.214 nan 8.230 nan 0.000 0.445 304 A N -1.226 121.556 122.820 -0.063 0.000 2.021 304 A HA -0.054 4.261 4.320 -0.008 0.000 0.216 304 A C 2.147 179.710 177.584 -0.035 0.000 1.163 304 A CA 1.042 53.058 52.037 -0.036 0.000 0.676 304 A CB -0.313 18.672 19.000 -0.026 0.000 0.818 304 A HN 0.562 nan 8.150 nan 0.000 0.453 305 E N 0.054 120.228 120.200 -0.043 0.000 2.112 305 E HA -0.097 4.248 4.350 -0.008 0.000 0.190 305 E C 1.665 178.238 176.600 -0.045 0.000 0.979 305 E CA 0.808 57.185 56.400 -0.038 0.000 0.814 305 E CB -0.180 29.497 29.700 -0.038 0.000 0.762 305 E HN 0.718 nan 8.360 nan 0.000 0.460 306 N N 0.949 119.613 118.700 -0.059 0.000 2.025 306 N HA -0.181 4.554 4.740 -0.008 0.000 0.194 306 N C 1.835 177.295 175.510 -0.084 0.000 1.044 306 N CA 0.980 53.983 53.050 -0.078 0.000 0.851 306 N CB -0.109 38.324 38.487 -0.091 0.000 1.036 306 N HN 0.027 nan 8.380 nan 0.000 0.422 307 R N 0.947 121.410 120.500 -0.062 0.000 2.170 307 R HA -0.180 4.155 4.340 -0.008 0.000 0.242 307 R C 2.051 178.327 176.300 -0.040 0.000 1.145 307 R CA 1.578 57.650 56.100 -0.046 0.000 0.984 307 R CB -0.238 30.052 30.300 -0.017 0.000 0.869 307 R HN 0.625 nan 8.270 nan 0.000 0.455 308 E N 1.026 121.207 120.200 -0.033 0.000 2.276 308 E HA -0.067 4.278 4.350 -0.008 0.000 0.193 308 E C 1.884 178.474 176.600 -0.017 0.000 0.983 308 E CA 0.526 56.913 56.400 -0.021 0.000 0.861 308 E CB -0.193 29.498 29.700 -0.015 0.000 0.817 308 E HN 0.554 nan 8.360 nan 0.000 0.485 309 I N -1.317 119.239 120.570 -0.025 0.000 3.251 309 I HA 0.075 4.240 4.170 -0.008 0.000 0.277 309 I C 1.615 177.735 176.117 0.004 0.000 1.268 309 I CA 0.314 61.614 61.300 -0.001 0.000 1.449 309 I CB 0.007 38.011 38.000 0.005 0.000 1.083 309 I HN 0.019 nan 8.210 nan 0.000 0.464 310 L N 1.599 122.776 121.223 -0.077 0.000 2.607 310 L HA 0.122 4.457 4.340 -0.008 0.000 0.228 310 L C 2.457 179.303 176.870 -0.040 0.000 1.123 310 L CA 0.251 54.986 54.840 -0.174 0.000 0.890 310 L CB -0.313 41.551 42.059 -0.326 0.000 1.103 310 L HN 0.363 nan 8.230 nan 0.000 0.468 311 K N 0.375 120.772 120.400 -0.006 0.000 1.991 311 K HA -0.046 4.269 4.320 -0.008 0.000 0.207 311 K C 0.450 177.076 176.600 0.042 0.000 1.045 311 K CA 0.677 56.973 56.287 0.014 0.000 0.937 311 K CB -0.140 32.363 32.500 0.005 0.000 0.720 311 K HN 0.048 nan 8.250 nan 0.000 0.438 312 E N 3.130 123.357 120.200 0.045 0.000 2.029 312 E HA 0.167 4.511 4.350 -0.008 0.000 0.276 312 E C -2.211 174.438 176.600 0.082 0.000 1.163 312 E CA -1.772 54.656 56.400 0.047 0.000 0.909 312 E CB 0.543 30.259 29.700 0.026 0.000 1.046 312 E HN 0.277 nan 8.360 nan 0.000 0.406 313 P HA -0.073 nan 4.420 nan 0.000 0.264 313 P C -0.633 176.685 177.300 0.030 0.000 1.179 313 P CA 0.186 63.342 63.100 0.094 0.000 0.763 313 P CB 0.567 32.300 31.700 0.056 0.000 0.806 314 V N 3.844 123.719 119.914 -0.066 0.000 2.487 314 V HA 0.306 4.421 4.120 -0.008 0.000 0.298 314 V C 0.109 176.032 176.094 -0.286 0.000 1.028 314 V CA -0.633 61.574 62.300 -0.155 0.000 0.860 314 V CB 1.338 33.038 31.823 -0.205 0.000 0.991 314 V HN 0.686 nan 8.190 nan 0.000 0.427 315 H N 2.395 121.256 119.070 -0.348 0.000 2.499 315 H HA 0.761 5.312 4.556 -0.008 0.000 0.340 315 H C -0.074 174.920 175.328 -0.558 0.000 1.148 315 H CA -0.814 54.940 56.048 -0.490 0.000 1.215 315 H CB 2.170 31.704 29.762 -0.380 0.000 1.529 315 H HN 0.709 nan 8.280 nan 0.000 0.510 316 G N 1.660 109.879 108.800 -0.968 0.000 2.371 316 G HA2 0.458 4.413 3.960 -0.008 0.000 0.326 316 G HA3 0.458 4.413 3.960 -0.008 0.000 0.326 316 G C 0.431 175.077 174.900 -0.423 0.000 1.127 316 G CA -0.215 44.402 45.100 -0.804 0.000 0.885 316 G HN 0.748 nan 8.290 nan 0.000 0.477 317 V N 0.666 120.562 119.914 -0.031 0.000 3.781 317 V HA 0.626 4.741 4.120 -0.008 0.000 0.271 317 V C -0.202 175.995 176.094 0.170 0.000 0.951 317 V CA -0.959 61.379 62.300 0.063 0.000 0.896 317 V CB 0.196 32.083 31.823 0.106 0.000 1.224 317 V HN 0.595 nan 8.190 nan 0.000 0.403 318 Y N -1.769 118.724 120.300 0.322 0.000 2.549 318 Y HA 0.517 5.062 4.550 -0.008 0.000 0.339 318 Y C -0.691 175.391 175.900 0.304 0.000 1.053 318 Y CA -0.874 57.400 58.100 0.290 0.000 1.105 318 Y CB 1.854 40.429 38.460 0.191 0.000 1.258 318 Y HN 0.683 nan 8.280 nan 0.000 0.478 319 Y N 2.831 123.371 120.300 0.399 0.000 2.486 319 Y HA 0.141 4.686 4.550 -0.008 0.000 0.348 319 Y C -0.503 175.504 175.900 0.177 0.000 1.000 319 Y CA -1.238 57.044 58.100 0.302 0.000 1.253 319 Y CB 0.146 38.878 38.460 0.454 0.000 1.140 319 Y HN 0.471 nan 8.280 nan 0.000 0.526 320 D N 9.426 129.646 120.400 -0.300 0.000 2.485 320 D HA 0.268 4.903 4.640 -0.008 0.000 0.229 320 D C -1.958 173.934 176.300 -0.681 0.000 1.101 320 D CA -2.623 51.136 54.000 -0.402 0.000 0.906 320 D CB 1.189 41.909 40.800 -0.133 0.000 1.019 320 D HN 0.358 nan 8.370 nan 0.000 0.516 321 P HA -0.197 nan 4.420 nan 0.000 0.231 321 P C 0.849 178.017 177.300 -0.221 0.000 1.154 321 P CA 0.759 63.493 63.100 -0.609 0.000 0.762 321 P CB 0.154 31.645 31.700 -0.349 0.000 0.790 322 S N -1.671 113.913 115.700 -0.194 0.000 2.421 322 S HA 0.041 4.506 4.470 -0.008 0.000 0.224 322 S C 1.047 175.605 174.600 -0.071 0.000 1.035 322 S CA 0.014 58.154 58.200 -0.100 0.000 0.953 322 S CB -0.377 62.773 63.200 -0.083 0.000 0.810 322 S HN 0.143 nan 8.310 nan 0.000 0.497 323 K N 1.344 121.698 120.400 -0.076 0.000 2.098 323 K HA 0.357 4.672 4.320 -0.008 0.000 0.244 323 K C -0.810 175.768 176.600 -0.037 0.000 1.014 323 K CA -0.790 55.470 56.287 -0.044 0.000 0.917 323 K CB 0.252 32.735 32.500 -0.030 0.000 1.072 323 K HN 0.087 nan 8.250 nan 0.000 0.477 324 D N 1.034 121.406 120.400 -0.047 0.000 2.362 324 D HA 0.097 4.732 4.640 -0.008 0.000 0.242 324 D C -0.955 175.269 176.300 -0.127 0.000 1.132 324 D CA -0.171 53.780 54.000 -0.081 0.000 0.907 324 D CB 0.774 41.520 40.800 -0.090 0.000 1.195 324 D HN 0.068 nan 8.370 nan 0.000 0.429 325 L N 4.037 125.131 121.223 -0.215 0.000 2.294 325 L HA 0.453 4.788 4.340 -0.008 0.000 0.283 325 L C -0.909 175.667 176.870 -0.490 0.000 1.015 325 L CA -0.269 54.340 54.840 -0.385 0.000 0.831 325 L CB 0.544 42.303 42.059 -0.501 0.000 1.217 325 L HN 0.269 nan 8.230 nan 0.000 0.420 326 I N 4.289 124.491 120.570 -0.613 0.000 2.530 326 I HA 0.770 4.935 4.170 -0.008 0.000 0.297 326 I C -0.297 175.251 176.117 -0.948 0.000 1.011 326 I CA -0.788 60.048 61.300 -0.773 0.000 1.107 326 I CB 2.062 39.593 38.000 -0.782 0.000 1.285 326 I HN 0.731 nan 8.210 nan 0.000 0.436 327 A N 4.821 127.166 122.820 -0.792 0.000 2.371 327 A HA 0.689 5.004 4.320 -0.008 0.000 0.311 327 A C -1.005 176.406 177.584 -0.288 0.000 1.068 327 A CA -0.488 51.204 52.037 -0.576 0.000 0.744 327 A CB 1.685 20.283 19.000 -0.670 0.000 1.239 327 A HN 0.757 nan 8.150 nan 0.000 0.435 328 E N 1.850 122.008 120.200 -0.070 0.000 2.222 328 E HA 0.668 5.013 4.350 -0.008 0.000 0.267 328 E C -1.341 175.364 176.600 0.175 0.000 0.884 328 E CA -0.468 55.976 56.400 0.073 0.000 0.764 328 E CB 1.399 31.162 29.700 0.104 0.000 1.169 328 E HN 0.635 nan 8.360 nan 0.000 0.413 329 I N 2.548 123.230 120.570 0.186 0.000 2.603 329 I HA 0.379 4.544 4.170 -0.008 0.000 0.300 329 I C -0.695 175.559 176.117 0.227 0.000 1.017 329 I CA -0.933 60.516 61.300 0.247 0.000 1.098 329 I CB 1.981 40.116 38.000 0.225 0.000 1.279 329 I HN 0.417 nan 8.210 nan 0.000 0.437 330 Q N 3.207 123.156 119.800 0.248 0.000 2.359 330 Q HA 0.361 4.695 4.340 -0.008 0.000 0.274 330 Q C -0.935 175.105 176.000 0.066 0.000 1.074 330 Q CA -0.865 55.024 55.803 0.143 0.000 0.810 330 Q CB 2.633 31.413 28.738 0.069 0.000 1.342 330 Q HN 0.353 nan 8.270 nan 0.000 0.427 331 K N 2.173 122.473 120.400 -0.168 0.000 2.310 331 K HA 0.126 4.441 4.320 -0.008 0.000 0.290 331 K C 0.105 176.436 176.600 -0.449 0.000 1.077 331 K CA 0.272 56.120 56.287 -0.731 0.000 0.922 331 K CB 0.585 32.582 32.500 -0.838 0.000 1.057 331 K HN 0.677 nan 8.250 nan 0.000 0.479 332 Q N 2.264 121.807 119.800 -0.427 0.000 2.033 332 Q HA 0.077 4.412 4.340 -0.008 0.000 0.196 332 Q C 0.299 176.153 176.000 -0.243 0.000 0.970 332 Q CA 0.919 56.580 55.803 -0.236 0.000 0.828 332 Q CB 0.260 28.907 28.738 -0.152 0.000 0.895 332 Q HN 0.913 nan 8.270 nan 0.000 0.440 333 G N -0.433 108.179 108.800 -0.313 0.000 2.351 333 G HA2 -0.009 3.946 3.960 -0.008 0.000 0.472 333 G HA3 -0.009 3.946 3.960 -0.008 0.000 0.472 333 G C -1.148 173.659 174.900 -0.155 0.000 1.570 333 G CA -0.656 44.312 45.100 -0.219 0.000 0.921 333 G HN 0.194 nan 8.290 nan 0.000 0.674 334 Q N -0.858 118.878 119.800 -0.106 0.000 2.464 334 Q HA -0.048 4.287 4.340 -0.008 0.000 0.286 334 Q C 1.325 177.312 176.000 -0.022 0.000 1.343 334 Q CA 1.750 57.523 55.803 -0.050 0.000 0.772 334 Q CB -1.474 27.234 28.738 -0.050 0.000 1.160 334 Q HN 2.905 nan 8.270 nan 0.000 0.422 335 G N 0.009 108.823 108.800 0.024 0.000 2.176 335 G HA2 -0.330 3.625 3.960 -0.008 0.000 0.252 335 G HA3 -0.330 3.625 3.960 -0.008 0.000 0.252 335 G C -0.155 174.826 174.900 0.135 0.000 1.024 335 G CA 0.641 45.830 45.100 0.148 0.000 0.755 335 G HN 0.402 nan 8.290 nan 0.000 0.507 336 Q N -1.140 118.621 119.800 -0.066 0.000 2.333 336 Q HA 0.592 4.927 4.340 -0.008 0.000 0.268 336 Q C -0.917 174.904 176.000 -0.298 0.000 1.007 336 Q CA -0.634 55.135 55.803 -0.056 0.000 0.810 336 Q CB 1.434 30.125 28.738 -0.079 0.000 1.264 336 Q HN 0.364 nan 8.270 nan 0.000 0.452 337 W N 1.024 122.382 121.300 0.097 0.000 2.936 337 W HA 0.519 5.174 4.660 -0.009 0.000 0.338 337 W C -0.377 176.227 176.519 0.142 0.000 1.121 337 W CA -0.568 56.857 57.345 0.133 0.000 1.209 337 W CB 1.863 31.441 29.460 0.196 0.000 1.420 337 W HN 0.411 nan 8.180 nan 0.000 0.516 338 T N -0.262 114.469 114.554 0.294 0.000 2.886 338 T HA 0.726 5.071 4.350 -0.008 0.000 0.292 338 T C -1.240 173.595 174.700 0.224 0.000 1.012 338 T CA -0.789 61.416 62.100 0.175 0.000 0.982 338 T CB 1.486 70.387 68.868 0.056 0.000 1.018 338 T HN 0.414 nan 8.240 nan 0.000 0.451 339 Y N 0.216 120.595 120.300 0.132 0.000 2.602 339 Y HA 0.868 5.413 4.550 -0.009 0.000 0.342 339 Y C -1.132 174.814 175.900 0.077 0.000 1.029 339 Y CA -1.498 56.663 58.100 0.103 0.000 1.080 339 Y CB 1.625 40.144 38.460 0.098 0.000 1.284 339 Y HN 0.568 nan 8.280 nan 0.000 0.485 340 Q N 2.228 122.191 119.800 0.273 0.000 2.285 340 Q HA 0.579 4.914 4.340 -0.008 0.000 0.269 340 Q C -1.480 174.626 176.000 0.177 0.000 1.030 340 Q CA -0.407 55.509 55.803 0.188 0.000 0.788 340 Q CB 2.816 31.650 28.738 0.160 0.000 1.266 340 Q HN 0.742 nan 8.270 nan 0.000 0.438 341 I N 3.831 124.489 120.570 0.146 0.000 2.377 341 I HA 0.588 4.753 4.170 -0.008 0.000 0.293 341 I C -0.846 175.238 176.117 -0.054 0.000 0.987 341 I CA -1.097 60.148 61.300 -0.093 0.000 1.185 341 I CB 0.538 38.492 38.000 -0.077 0.000 1.341 341 I HN 0.644 nan 8.210 nan 0.000 0.455 342 Y N 3.063 123.257 120.300 -0.178 0.000 2.670 342 Y HA 0.442 4.986 4.550 -0.009 0.000 0.334 342 Y C -0.295 175.497 175.900 -0.180 0.000 1.185 342 Y CA -1.036 56.976 58.100 -0.147 0.000 1.053 342 Y CB 1.121 39.505 38.460 -0.126 0.000 1.298 342 Y HN 0.449 nan 8.280 nan 0.000 0.459 343 Q N 0.047 119.957 119.800 0.184 0.000 2.391 343 Q HA 0.319 4.654 4.340 -0.008 0.000 0.243 343 Q C -0.764 175.343 176.000 0.179 0.000 0.874 343 Q CA 0.346 56.203 55.803 0.090 0.000 0.950 343 Q CB 1.203 29.970 28.738 0.048 0.000 1.103 343 Q HN 0.769 nan 8.270 nan 0.000 0.544 344 E N 0.713 121.018 120.200 0.174 0.000 2.293 344 E HA 0.296 4.641 4.350 -0.008 0.000 0.270 344 E C -2.716 173.759 176.600 -0.208 0.000 0.879 344 E CA -2.440 53.974 56.400 0.024 0.000 0.756 344 E CB 2.172 31.880 29.700 0.013 0.000 1.208 344 E HN -0.177 nan 8.360 nan 0.000 0.428 345 P HA -0.124 nan 4.420 nan 0.000 0.252 345 P C -0.723 176.276 177.300 -0.502 0.000 1.147 345 P CA 1.164 63.798 63.100 -0.776 0.000 0.779 345 P CB -0.199 31.210 31.700 -0.486 0.000 0.733 346 F N 0.791 120.445 119.950 -0.494 0.000 2.517 346 F HA -0.252 4.270 4.527 -0.009 0.000 0.434 346 F C 0.821 176.487 175.800 -0.224 0.000 0.564 346 F CA 0.683 58.508 58.000 -0.292 0.000 1.414 346 F CB -1.404 37.472 39.000 -0.207 0.000 2.009 346 F HN 0.307 nan 8.300 nan 0.000 0.274 347 K N 2.091 122.455 120.400 -0.061 0.000 2.535 347 K HA 0.190 4.505 4.320 -0.008 0.000 0.242 347 K C -0.254 176.348 176.600 0.003 0.000 1.210 347 K CA -0.371 55.888 56.287 -0.046 0.000 1.178 347 K CB -0.111 32.387 32.500 -0.003 0.000 1.778 347 K HN 0.115 nan 8.250 nan 0.000 0.372 348 N N 2.554 121.247 118.700 -0.012 0.000 2.440 348 N HA -0.036 4.698 4.740 -0.008 0.000 0.265 348 N C 1.193 176.768 175.510 0.108 0.000 1.239 348 N CA 0.234 53.329 53.050 0.075 0.000 0.909 348 N CB 0.759 39.270 38.487 0.040 0.000 1.066 348 N HN 0.292 nan 8.380 nan 0.000 0.474 349 L N 1.422 122.767 121.223 0.204 0.000 2.093 349 L HA -0.092 4.243 4.340 -0.008 0.000 0.208 349 L C 1.059 178.215 176.870 0.477 0.000 1.085 349 L CA 1.164 56.223 54.840 0.365 0.000 0.755 349 L CB -0.363 41.936 42.059 0.400 0.000 0.904 349 L HN 0.639 nan 8.230 nan 0.000 0.435 350 K N -0.759 119.842 120.400 0.334 0.000 2.642 350 K HA 0.457 4.772 4.320 -0.008 0.000 0.290 350 K C -1.058 175.639 176.600 0.163 0.000 1.006 350 K CA -0.720 55.757 56.287 0.315 0.000 0.869 350 K CB 1.802 34.487 32.500 0.310 0.000 1.499 350 K HN -0.102 nan 8.250 nan 0.000 0.403 351 T N -1.782 112.799 114.554 0.044 0.000 2.883 351 T HA 0.881 5.225 4.350 -0.008 0.000 0.296 351 T C -0.067 174.363 174.700 -0.449 0.000 1.117 351 T CA -0.320 61.687 62.100 -0.156 0.000 1.006 351 T CB 1.862 70.664 68.868 -0.110 0.000 1.191 351 T HN 1.043 nan 8.240 nan 0.000 0.508 352 G N 0.328 108.514 108.800 -1.024 0.000 2.619 352 G HA2 0.721 4.676 3.960 -0.008 0.000 0.305 352 G HA3 0.721 4.676 3.960 -0.008 0.000 0.305 352 G C -1.984 172.536 174.900 -0.633 0.000 1.330 352 G CA -1.109 43.386 45.100 -1.009 0.000 0.789 352 G HN 1.022 nan 8.290 nan 0.000 0.487 353 K N -1.764 118.547 120.400 -0.149 0.000 2.480 353 K HA 0.747 5.062 4.320 -0.008 0.000 0.258 353 K C -2.143 174.673 176.600 0.360 0.000 0.990 353 K CA -1.089 55.279 56.287 0.136 0.000 0.857 353 K CB 2.748 35.295 32.500 0.079 0.000 1.384 353 K HN 0.562 nan 8.250 nan 0.000 0.446 354 Y N 0.644 121.093 120.300 0.248 0.000 2.373 354 Y HA 0.583 5.128 4.550 -0.009 0.000 0.336 354 Y C -1.707 174.325 175.900 0.220 0.000 0.979 354 Y CA -0.854 57.376 58.100 0.216 0.000 1.080 354 Y CB 2.115 40.680 38.460 0.175 0.000 1.190 354 Y HN 0.885 nan 8.280 nan 0.000 0.446 355 A N 7.272 129.806 122.820 -0.475 0.000 2.249 355 A HA 0.524 4.839 4.320 -0.008 0.000 0.314 355 A C -0.095 177.074 177.584 -0.692 0.000 1.290 355 A CA -0.898 50.897 52.037 -0.404 0.000 0.893 355 A CB 0.251 19.145 19.000 -0.177 0.000 1.165 355 A HN 0.917 nan 8.150 nan 0.000 0.530 356 R N 3.115 123.365 120.500 -0.416 0.000 2.587 356 R HA 0.024 4.359 4.340 -0.008 0.000 0.268 356 R C -0.319 175.880 176.300 -0.168 0.000 0.978 356 R CA 0.499 56.451 56.100 -0.247 0.000 1.097 356 R CB 0.072 30.371 30.300 -0.002 0.000 0.917 356 R HN 0.717 nan 8.270 nan 0.000 0.414 357 M N 5.716 125.276 119.600 -0.066 0.000 2.251 357 M HA 0.054 4.529 4.480 -0.008 0.000 0.346 357 M C 0.612 176.914 176.300 0.002 0.000 1.499 357 M CA 0.413 55.709 55.300 -0.007 0.000 1.128 357 M CB 0.627 33.260 32.600 0.055 0.000 1.809 357 M HN 0.523 nan 8.290 nan 0.000 0.464 358 R N 2.572 123.067 120.500 -0.007 0.000 2.808 358 R HA 0.230 4.565 4.340 -0.008 0.000 0.248 358 R C 0.045 176.346 176.300 0.002 0.000 1.539 358 R CA -0.146 55.952 56.100 -0.003 0.000 1.071 358 R CB -1.167 29.128 30.300 -0.008 0.000 1.172 358 R HN 0.722 nan 8.270 nan 0.000 0.579 359 G N 0.559 109.365 108.800 0.010 0.000 2.400 359 G HA2 0.443 4.398 3.960 -0.008 0.000 0.333 359 G HA3 0.443 4.398 3.960 -0.008 0.000 0.333 359 G C 0.713 175.586 174.900 -0.046 0.000 1.143 359 G CA -0.548 44.551 45.100 -0.001 0.000 0.914 359 G HN 0.449 nan 8.290 nan 0.000 0.480 360 A N 0.959 123.686 122.820 -0.155 0.000 1.978 360 A HA 0.063 4.378 4.320 -0.008 0.000 0.220 360 A C 0.962 178.324 177.584 -0.369 0.000 1.170 360 A CA 1.136 52.970 52.037 -0.338 0.000 0.636 360 A CB -0.383 18.279 19.000 -0.562 0.000 0.810 360 A HN 0.657 nan 8.150 nan 0.000 0.448 361 H N -2.766 116.351 119.070 0.078 0.000 2.980 361 H HA 0.700 5.251 4.556 -0.008 0.000 0.367 361 H C -1.034 174.357 175.328 0.105 0.000 1.206 361 H CA -0.312 55.788 56.048 0.087 0.000 1.126 361 H CB 1.496 31.312 29.762 0.090 0.000 1.838 361 H HN 0.062 nan 8.280 nan 0.000 0.552 362 T N 1.537 116.235 114.554 0.239 0.000 3.041 362 T HA 0.175 4.519 4.350 -0.008 0.000 0.359 362 T C -0.942 173.840 174.700 0.137 0.000 1.846 362 T CA -1.048 61.156 62.100 0.173 0.000 1.066 362 T CB 1.435 70.387 68.868 0.139 0.000 1.774 362 T HN 0.887 nan 8.240 nan 0.000 0.509 363 N N -0.074 118.668 118.700 0.070 0.000 2.619 363 N HA 0.567 5.302 4.740 -0.008 0.000 0.294 363 N C 0.272 175.790 175.510 0.013 0.000 1.279 363 N CA -0.770 52.304 53.050 0.039 0.000 0.867 363 N CB 0.491 38.951 38.487 -0.044 0.000 1.329 363 N HN 0.330 nan 8.380 nan 0.000 0.557 364 D N -0.456 119.984 120.400 0.068 0.000 2.123 364 D HA -0.109 4.525 4.640 -0.008 0.000 0.196 364 D C 1.691 177.947 176.300 -0.074 0.000 0.992 364 D CA 1.105 55.215 54.000 0.183 0.000 0.833 364 D CB -0.281 40.656 40.800 0.228 0.000 0.954 364 D HN 0.335 nan 8.370 nan 0.000 0.455 365 V N 0.885 120.584 119.914 -0.359 0.000 2.343 365 V HA -0.221 3.894 4.120 -0.008 0.000 0.247 365 V C 2.272 178.015 176.094 -0.585 0.000 1.051 365 V CA 1.497 63.426 62.300 -0.618 0.000 1.036 365 V CB -0.351 30.740 31.823 -1.219 0.000 0.654 365 V HN 0.186 nan 8.190 nan 0.000 0.451 366 K N -0.444 119.640 120.400 -0.527 0.000 2.147 366 K HA -0.216 4.099 4.320 -0.008 0.000 0.205 366 K C 2.289 178.760 176.600 -0.216 0.000 1.049 366 K CA 1.467 57.599 56.287 -0.259 0.000 0.936 366 K CB -0.142 32.307 32.500 -0.085 0.000 0.722 366 K HN 0.534 nan 8.250 nan 0.000 0.446 367 Q N 0.436 120.083 119.800 -0.255 0.000 1.994 367 Q HA -0.111 4.223 4.340 -0.008 0.000 0.198 367 Q C 2.087 177.609 176.000 -0.797 0.000 0.976 367 Q CA 0.871 56.462 55.803 -0.354 0.000 0.828 367 Q CB -0.140 28.479 28.738 -0.200 0.000 0.894 367 Q HN 0.126 nan 8.270 nan 0.000 0.432 368 L N 0.670 121.266 121.223 -1.045 0.000 2.064 368 L HA -0.270 4.065 4.340 -0.008 0.000 0.216 368 L C 2.043 178.457 176.870 -0.761 0.000 1.077 368 L CA 2.076 56.286 54.840 -1.049 0.000 0.766 368 L CB -0.941 40.713 42.059 -0.676 0.000 0.890 368 L HN 0.200 nan 8.230 nan 0.000 0.435 369 T N -0.700 113.513 114.554 -0.569 0.000 2.701 369 T HA -0.179 4.165 4.350 -0.008 0.000 0.263 369 T C 1.705 176.128 174.700 -0.462 0.000 1.040 369 T CA 1.672 63.501 62.100 -0.452 0.000 1.147 369 T CB -0.174 68.590 68.868 -0.173 0.000 0.865 369 T HN 0.461 nan 8.240 nan 0.000 0.426 370 E N 0.805 120.755 120.200 -0.416 0.000 2.097 370 E HA -0.130 4.215 4.350 -0.008 0.000 0.196 370 E C 2.420 178.548 176.600 -0.786 0.000 1.000 370 E CA 1.082 57.218 56.400 -0.441 0.000 0.804 370 E CB -0.215 29.342 29.700 -0.239 0.000 0.740 370 E HN 0.464 nan 8.360 nan 0.000 0.454 371 A N 0.691 122.889 122.820 -1.036 0.000 1.845 371 A HA -0.173 4.142 4.320 -0.008 0.000 0.215 371 A C 2.504 179.683 177.584 -0.676 0.000 1.195 371 A CA 1.419 52.840 52.037 -1.027 0.000 0.616 371 A CB -0.950 17.574 19.000 -0.793 0.000 0.832 371 A HN 0.133 nan 8.150 nan 0.000 0.443 372 V N 0.569 120.066 119.914 -0.696 0.000 2.250 372 V HA -0.383 3.732 4.120 -0.008 0.000 0.253 372 V C 2.863 178.621 176.094 -0.559 0.000 1.065 372 V CA 2.444 64.255 62.300 -0.815 0.000 1.039 372 V CB -0.914 30.263 31.823 -1.077 0.000 0.647 372 V HN 0.623 nan 8.190 nan 0.000 0.446 373 Q N -0.165 119.360 119.800 -0.458 0.000 2.002 373 Q HA -0.236 4.099 4.340 -0.008 0.000 0.204 373 Q C 2.313 178.174 176.000 -0.232 0.000 0.988 373 Q CA 1.640 57.274 55.803 -0.282 0.000 0.843 373 Q CB -0.801 27.807 28.738 -0.216 0.000 0.908 373 Q HN 0.510 nan 8.270 nan 0.000 0.420 374 K N 1.058 121.279 120.400 -0.299 0.000 2.089 374 K HA -0.143 4.172 4.320 -0.008 0.000 0.210 374 K C 2.109 178.591 176.600 -0.196 0.000 1.048 374 K CA 1.119 57.270 56.287 -0.226 0.000 0.926 374 K CB -0.397 31.922 32.500 -0.302 0.000 0.714 374 K HN 0.243 nan 8.250 nan 0.000 0.448 375 I N 0.370 120.771 120.570 -0.282 0.000 2.163 375 I HA -0.270 3.895 4.170 -0.008 0.000 0.240 375 I C 2.234 178.288 176.117 -0.104 0.000 1.081 375 I CA 1.450 62.572 61.300 -0.296 0.000 1.353 375 I CB -0.548 37.248 38.000 -0.340 0.000 1.054 375 I HN 0.193 nan 8.210 nan 0.000 0.407 376 T N 0.564 115.107 114.554 -0.018 0.000 2.620 376 T HA -0.278 4.067 4.350 -0.008 0.000 0.267 376 T C 1.880 176.582 174.700 0.003 0.000 1.044 376 T CA 2.692 64.817 62.100 0.041 0.000 1.161 376 T CB -0.660 68.218 68.868 0.017 0.000 0.862 376 T HN 0.604 nan 8.240 nan 0.000 0.438 377 T N 0.741 115.279 114.554 -0.026 0.000 2.643 377 T HA -0.135 4.210 4.350 -0.008 0.000 0.264 377 T C 1.794 176.480 174.700 -0.023 0.000 1.045 377 T CA 1.684 63.772 62.100 -0.019 0.000 1.155 377 T CB -0.663 68.190 68.868 -0.025 0.000 0.863 377 T HN 0.550 nan 8.240 nan 0.000 0.420 378 E N 1.064 121.241 120.200 -0.039 0.000 2.284 378 E HA -0.181 4.164 4.350 -0.008 0.000 0.200 378 E C 1.951 178.523 176.600 -0.048 0.000 1.008 378 E CA 1.362 57.730 56.400 -0.054 0.000 0.829 378 E CB -0.234 29.439 29.700 -0.046 0.000 0.744 378 E HN 0.611 nan 8.360 nan 0.000 0.491 379 S N -0.262 115.464 115.700 0.043 0.000 2.439 379 S HA 0.067 4.532 4.470 -0.008 0.000 0.224 379 S C 1.815 176.505 174.600 0.151 0.000 1.029 379 S CA 0.176 58.516 58.200 0.234 0.000 0.946 379 S CB 0.056 63.355 63.200 0.165 0.000 0.797 379 S HN 0.267 nan 8.310 nan 0.000 0.504 380 I N 1.330 121.929 120.570 0.048 0.000 2.202 380 I HA -0.139 4.026 4.170 -0.008 0.000 0.242 380 I C 2.148 178.253 176.117 -0.020 0.000 1.091 380 I CA 0.885 62.201 61.300 0.027 0.000 1.368 380 I CB -0.315 37.695 38.000 0.016 0.000 1.058 380 I HN 0.128 nan 8.210 nan 0.000 0.410 381 V N 1.200 121.080 119.914 -0.058 0.000 2.287 381 V HA -0.311 3.804 4.120 -0.008 0.000 0.248 381 V C 2.207 178.180 176.094 -0.201 0.000 1.053 381 V CA 2.042 64.281 62.300 -0.102 0.000 1.027 381 V CB -0.375 31.386 31.823 -0.103 0.000 0.646 381 V HN 0.338 nan 8.190 nan 0.000 0.447 382 I N -2.011 118.343 120.570 -0.359 0.000 2.339 382 I HA -0.133 4.032 4.170 -0.008 0.000 0.245 382 I C 1.966 177.624 176.117 -0.765 0.000 1.096 382 I CA 1.385 62.243 61.300 -0.736 0.000 1.408 382 I CB -0.165 36.956 38.000 -1.466 0.000 1.092 382 I HN 0.392 nan 8.210 nan 0.000 0.423 383 W N 0.186 121.337 121.300 -0.247 0.000 2.870 383 W HA 0.358 5.013 4.660 -0.009 0.000 0.358 383 W C 1.368 177.799 176.519 -0.147 0.000 1.043 383 W CA 0.531 57.689 57.345 -0.312 0.000 1.692 383 W CB 0.060 29.151 29.460 -0.614 0.000 1.100 383 W HN 0.314 nan 8.180 nan 0.000 0.557 384 G N 2.586 111.431 108.800 0.074 0.000 2.155 384 G HA2 -0.327 3.627 3.960 -0.008 0.000 0.257 384 G HA3 -0.327 3.627 3.960 -0.008 0.000 0.257 384 G C 0.150 175.092 174.900 0.071 0.000 0.983 384 G CA 1.151 46.288 45.100 0.061 0.000 0.676 384 G HN 0.390 nan 8.290 nan 0.000 0.528 385 K N -1.619 118.830 120.400 0.082 0.000 2.555 385 K HA 0.692 5.007 4.320 -0.008 0.000 0.279 385 K C -0.731 175.869 176.600 -0.001 0.000 0.986 385 K CA -0.823 55.486 56.287 0.037 0.000 0.880 385 K CB 0.899 33.414 32.500 0.025 0.000 1.474 385 K HN -0.008 nan 8.250 nan 0.000 0.433 386 T N 3.381 117.923 114.554 -0.021 0.000 2.856 386 T HA 0.342 4.687 4.350 -0.008 0.000 0.292 386 T C -2.157 172.435 174.700 -0.179 0.000 0.980 386 T CA -0.941 61.129 62.100 -0.050 0.000 1.091 386 T CB 0.882 69.765 68.868 0.025 0.000 0.936 386 T HN 0.488 nan 8.240 nan 0.000 0.503 387 P HA 0.347 nan 4.420 nan 0.000 0.278 387 P C -0.888 176.059 177.300 -0.589 0.000 1.266 387 P CA -0.818 61.944 63.100 -0.563 0.000 0.807 387 P CB 1.087 32.302 31.700 -0.808 0.000 1.094 388 K N 0.883 120.971 120.400 -0.520 0.000 2.201 388 K HA 0.388 4.703 4.320 -0.008 0.000 0.278 388 K C -0.372 175.935 176.600 -0.489 0.000 1.027 388 K CA -0.293 55.786 56.287 -0.347 0.000 0.909 388 K CB 0.429 32.790 32.500 -0.232 0.000 1.062 388 K HN 0.343 nan 8.250 nan 0.000 0.465 389 F N 1.877 121.748 119.950 -0.133 0.000 2.399 389 F HA 0.286 4.808 4.527 -0.008 0.000 0.334 389 F C 0.674 176.460 175.800 -0.023 0.000 1.097 389 F CA -0.491 57.443 58.000 -0.110 0.000 1.076 389 F CB 1.173 40.097 39.000 -0.126 0.000 1.162 389 F HN 0.136 nan 8.300 nan 0.000 0.495 390 K N 4.756 125.241 120.400 0.141 0.000 2.425 390 K HA 0.599 4.914 4.320 -0.008 0.000 0.259 390 K C -1.373 175.318 176.600 0.152 0.000 0.978 390 K CA -0.412 55.940 56.287 0.109 0.000 0.883 390 K CB 1.315 33.826 32.500 0.018 0.000 1.110 390 K HN 0.506 nan 8.250 nan 0.000 0.436 391 L N 4.078 125.437 121.223 0.227 0.000 2.370 391 L HA 0.499 4.834 4.340 -0.008 0.000 0.266 391 L C -2.191 174.826 176.870 0.245 0.000 1.002 391 L CA -2.209 52.731 54.840 0.166 0.000 0.818 391 L CB 2.127 44.175 42.059 -0.018 0.000 1.325 391 L HN 0.418 nan 8.230 nan 0.000 0.418 392 P HA 0.250 nan 4.420 nan 0.000 0.231 392 P C -0.744 176.776 177.300 0.367 0.000 1.811 392 P CA 0.302 63.579 63.100 0.294 0.000 1.051 392 P CB 0.368 32.179 31.700 0.186 0.000 1.951 393 I N 0.647 121.538 120.570 0.534 0.000 2.715 393 I HA 0.137 4.302 4.170 -0.008 0.000 0.288 393 I C -0.782 175.408 176.117 0.122 0.000 1.371 393 I CA -0.641 60.782 61.300 0.205 0.000 1.056 393 I CB 2.298 40.312 38.000 0.023 0.000 1.339 393 I HN -0.085 nan 8.210 nan 0.000 0.425 394 Q N 6.029 125.641 119.800 -0.313 0.000 2.364 394 Q HA 0.151 4.486 4.340 -0.008 0.000 0.267 394 Q C 0.742 176.788 176.000 0.078 0.000 0.999 394 Q CA -0.163 55.351 55.803 -0.482 0.000 0.886 394 Q CB 1.137 29.588 28.738 -0.479 0.000 1.243 394 Q HN 0.554 nan 8.270 nan 0.000 0.415 395 K N 2.307 122.787 120.400 0.133 0.000 2.015 395 K HA -0.253 4.062 4.320 -0.008 0.000 0.216 395 K C 1.676 178.452 176.600 0.293 0.000 1.052 395 K CA 1.656 58.135 56.287 0.320 0.000 0.937 395 K CB -0.182 32.369 32.500 0.085 0.000 0.719 395 K HN 0.711 nan 8.250 nan 0.000 0.446 396 E N 0.070 120.336 120.200 0.109 0.000 2.136 396 E HA -0.214 4.131 4.350 -0.008 0.000 0.202 396 E C 1.752 178.389 176.600 0.061 0.000 1.019 396 E CA 2.035 58.472 56.400 0.062 0.000 0.819 396 E CB 0.062 29.756 29.700 -0.010 0.000 0.739 396 E HN 0.301 nan 8.360 nan 0.000 0.458 397 T N 0.568 115.154 114.554 0.054 0.000 2.614 397 T HA -0.216 4.129 4.350 -0.008 0.000 0.263 397 T C 1.213 175.984 174.700 0.118 0.000 1.055 397 T CA 1.278 63.395 62.100 0.028 0.000 1.162 397 T CB -0.743 68.108 68.868 -0.028 0.000 0.863 397 T HN 0.475 nan 8.240 nan 0.000 0.414 398 W N 2.255 123.607 121.300 0.087 0.000 2.290 398 W HA -0.293 4.362 4.660 -0.009 0.000 0.318 398 W C 2.127 178.867 176.519 0.367 0.000 1.248 398 W CA 2.173 59.636 57.345 0.195 0.000 1.263 398 W CB -0.382 29.203 29.460 0.208 0.000 1.147 398 W HN 0.453 nan 8.180 nan 0.000 0.494 399 E N -0.338 119.957 120.200 0.157 0.000 2.023 399 E HA -0.232 4.113 4.350 -0.008 0.000 0.196 399 E C 2.163 178.448 176.600 -0.526 0.000 1.003 399 E CA 2.790 59.097 56.400 -0.155 0.000 0.809 399 E CB -0.646 29.087 29.700 0.055 0.000 0.755 399 E HN 0.003 nan 8.360 nan 0.000 0.449 400 T N 0.907 115.313 114.554 -0.247 0.000 2.721 400 T HA -0.221 4.124 4.350 -0.008 0.000 0.268 400 T C 1.131 175.682 174.700 -0.249 0.000 1.038 400 T CA 1.508 63.467 62.100 -0.235 0.000 1.145 400 T CB -0.411 68.390 68.868 -0.112 0.000 0.858 400 T HN 0.458 nan 8.240 nan 0.000 0.459 401 W N 1.305 122.355 121.300 -0.417 0.000 2.413 401 W HA -0.085 4.569 4.660 -0.010 0.000 0.315 401 W C 2.302 178.558 176.519 -0.439 0.000 1.186 401 W CA 1.154 58.252 57.345 -0.411 0.000 1.326 401 W CB -0.701 28.507 29.460 -0.420 0.000 1.153 401 W HN 0.499 nan 8.180 nan 0.000 0.489 402 W N 2.774 123.652 121.300 -0.704 0.000 2.402 402 W HA -0.141 4.515 4.660 -0.008 0.000 0.286 402 W C 1.799 178.067 176.519 -0.420 0.000 1.221 402 W CA 2.097 59.019 57.345 -0.705 0.000 1.257 402 W CB -1.644 27.402 29.460 -0.690 0.000 1.120 402 W HN -0.058 nan 8.180 nan 0.000 0.551 403 T N -1.417 112.405 114.554 -1.220 0.000 3.035 403 T HA -0.083 4.262 4.350 -0.008 0.000 0.268 403 T C 1.295 175.689 174.700 -0.509 0.000 1.109 403 T CA 1.227 62.711 62.100 -1.028 0.000 1.119 403 T CB -0.158 68.056 68.868 -1.090 0.000 0.900 403 T HN 0.044 nan 8.240 nan 0.000 0.503 404 E N -0.434 119.494 120.200 -0.454 0.000 2.465 404 E HA 0.199 4.544 4.350 -0.008 0.000 0.209 404 E C -0.099 176.333 176.600 -0.279 0.000 0.951 404 E CA -0.334 55.885 56.400 -0.301 0.000 0.997 404 E CB -0.073 29.485 29.700 -0.237 0.000 1.025 404 E HN 0.546 nan 8.360 nan 0.000 0.500 405 Y N 2.848 122.729 120.300 -0.698 0.000 2.597 405 Y HA -0.145 4.400 4.550 -0.009 0.000 0.336 405 Y C 1.428 177.092 175.900 -0.393 0.000 1.216 405 Y CA -0.503 57.117 58.100 -0.801 0.000 1.463 405 Y CB 0.380 38.000 38.460 -1.399 0.000 1.303 405 Y HN 0.146 nan 8.280 nan 0.000 0.576 406 W N 4.517 125.491 121.300 -0.543 0.000 2.519 406 W HA 0.004 4.659 4.660 -0.009 0.000 0.266 406 W C -0.493 175.692 176.519 -0.557 0.000 1.253 406 W CA 0.277 57.344 57.345 -0.463 0.000 1.274 406 W CB -0.255 28.999 29.460 -0.343 0.000 1.114 406 W HN 0.514 nan 8.180 nan 0.000 0.596 407 Q N 0.841 119.449 119.800 -1.987 0.000 2.199 407 Q HA 0.520 4.855 4.340 -0.008 0.000 0.232 407 Q C -0.200 175.390 176.000 -0.682 0.000 0.969 407 Q CA -0.430 54.437 55.803 -1.560 0.000 0.925 407 Q CB 1.572 29.290 28.738 -1.700 0.000 1.198 407 Q HN -0.017 nan 8.270 nan 0.000 0.494 408 A N 0.766 123.345 122.820 -0.401 0.000 2.340 408 A HA 0.540 4.855 4.320 -0.008 0.000 0.268 408 A C -0.205 177.367 177.584 -0.019 0.000 1.100 408 A CA 0.064 52.015 52.037 -0.144 0.000 0.803 408 A CB 1.135 20.069 19.000 -0.111 0.000 1.043 408 A HN 0.545 nan 8.150 nan 0.000 0.488 409 T N 0.500 115.122 114.554 0.113 0.000 2.885 409 T HA 0.533 4.878 4.350 -0.008 0.000 0.322 409 T C -2.185 172.737 174.700 0.370 0.000 1.387 409 T CA -0.210 62.041 62.100 0.252 0.000 1.041 409 T CB 0.754 69.842 68.868 0.366 0.000 1.287 409 T HN 0.999 nan 8.240 nan 0.000 0.491 410 W N 3.869 125.257 121.300 0.146 0.000 3.248 410 W HA 0.759 5.414 4.660 -0.009 0.000 0.311 410 W C -2.337 174.153 176.519 -0.049 0.000 1.258 410 W CA -0.834 56.558 57.345 0.078 0.000 1.191 410 W CB 1.214 30.646 29.460 -0.047 0.000 1.389 410 W HN 0.676 nan 8.180 nan 0.000 0.561 411 I N 6.401 126.421 120.570 -0.916 0.000 2.499 411 I HA 0.288 4.453 4.170 -0.008 0.000 0.288 411 I C -1.718 173.431 176.117 -1.614 0.000 1.048 411 I CA -2.095 58.498 61.300 -1.179 0.000 1.062 411 I CB 2.224 39.338 38.000 -1.477 0.000 1.238 411 I HN 0.099 nan 8.210 nan 0.000 0.426 412 P HA -0.035 nan 4.420 nan 0.000 0.278 412 P C -0.272 176.810 177.300 -0.362 0.000 1.270 412 P CA -0.234 62.340 63.100 -0.877 0.000 0.800 412 P CB 0.494 32.066 31.700 -0.214 0.000 1.142 413 E N 0.414 120.547 120.200 -0.111 0.000 2.652 413 E HA -0.023 4.322 4.350 -0.008 0.000 0.255 413 E C -0.599 176.065 176.600 0.106 0.000 0.952 413 E CA 0.227 56.614 56.400 -0.022 0.000 0.947 413 E CB 0.041 29.728 29.700 -0.021 0.000 0.912 413 E HN 0.350 nan 8.360 nan 0.000 0.489 414 W N 2.955 124.160 121.300 -0.158 0.000 3.074 414 W HA 0.564 5.219 4.660 -0.008 0.000 0.332 414 W C -1.429 175.039 176.519 -0.084 0.000 1.253 414 W CA -0.904 56.375 57.345 -0.111 0.000 1.180 414 W CB 0.575 29.915 29.460 -0.199 0.000 1.445 414 W HN 0.423 nan 8.180 nan 0.000 0.573 415 E N 1.010 121.180 120.200 -0.051 0.000 2.367 415 E HA 0.351 4.696 4.350 -0.008 0.000 0.273 415 E C -1.713 174.975 176.600 0.146 0.000 0.903 415 E CA -1.079 55.203 56.400 -0.196 0.000 0.764 415 E CB 3.181 32.805 29.700 -0.127 0.000 1.252 415 E HN 0.247 nan 8.360 nan 0.000 0.446 416 F N 2.643 122.570 119.950 -0.038 0.000 2.506 416 F HA 0.235 4.757 4.527 -0.008 0.000 0.371 416 F C -0.661 175.191 175.800 0.087 0.000 1.078 416 F CA -0.389 57.697 58.000 0.145 0.000 1.195 416 F CB 0.638 39.700 39.000 0.103 0.000 1.099 416 F HN 0.126 nan 8.300 nan 0.000 0.548 417 V N 7.853 127.443 119.914 -0.541 0.000 2.313 417 V HA 0.221 4.336 4.120 -0.008 0.000 0.278 417 V C -0.166 175.383 176.094 -0.908 0.000 1.017 417 V CA -0.738 61.218 62.300 -0.572 0.000 0.823 417 V CB 0.649 32.359 31.823 -0.188 0.000 1.010 417 V HN 0.785 nan 8.190 nan 0.000 0.443 418 N N 4.817 122.878 118.700 -1.065 0.000 3.027 418 N HA 0.034 4.769 4.740 -0.008 0.000 0.309 418 N C 0.237 175.633 175.510 -0.190 0.000 1.222 418 N CA 0.413 53.093 53.050 -0.617 0.000 1.187 418 N CB -0.069 38.250 38.487 -0.281 0.000 1.458 418 N HN 0.773 nan 8.380 nan 0.000 0.535 419 T N 0.064 114.544 114.554 -0.122 0.000 3.331 419 T HA 0.422 4.767 4.350 -0.008 0.000 0.381 419 T C -2.516 172.194 174.700 0.015 0.000 1.656 419 T CA -2.041 60.037 62.100 -0.037 0.000 1.453 419 T CB 0.686 69.533 68.868 -0.035 0.000 1.066 419 T HN 0.058 nan 8.240 nan 0.000 0.655 420 P HA 0.061 nan 4.420 nan 0.000 0.267 420 P C -1.898 175.418 177.300 0.026 0.000 1.175 420 P CA -0.507 62.624 63.100 0.052 0.000 0.763 420 P CB -0.024 31.707 31.700 0.052 0.000 0.795 421 P HA 0.097 nan 4.420 nan 0.000 0.271 421 P C -0.679 176.656 177.300 0.058 0.000 1.216 421 P CA 0.324 63.446 63.100 0.037 0.000 0.776 421 P CB 0.674 32.381 31.700 0.012 0.000 0.881 422 L N 2.106 123.376 121.223 0.078 0.000 2.360 422 L HA 0.360 4.695 4.340 -0.008 0.000 0.271 422 L C 0.420 177.316 176.870 0.042 0.000 1.057 422 L CA -1.295 53.606 54.840 0.103 0.000 0.803 422 L CB 1.606 43.736 42.059 0.118 0.000 1.207 422 L HN 0.142 nan 8.230 nan 0.000 0.445 423 V N 2.620 122.567 119.914 0.056 0.000 2.498 423 V HA 0.326 4.440 4.120 -0.008 0.000 0.279 423 V C 0.052 176.061 176.094 -0.141 0.000 1.048 423 V CA -0.310 61.995 62.300 0.008 0.000 0.967 423 V CB 1.282 33.162 31.823 0.094 0.000 0.988 423 V HN 0.838 nan 8.190 nan 0.000 0.473 424 K N 4.387 124.605 120.400 -0.303 0.000 2.522 424 K HA 0.722 5.037 4.320 -0.008 0.000 0.275 424 K C -1.681 174.564 176.600 -0.592 0.000 1.006 424 K CA -1.094 54.905 56.287 -0.479 0.000 0.890 424 K CB 1.799 33.889 32.500 -0.683 0.000 1.475 424 K HN 0.339 nan 8.250 nan 0.000 0.441 425 L N 1.418 122.358 121.223 -0.471 0.000 2.292 425 L HA 0.315 4.650 4.340 -0.008 0.000 0.284 425 L C -0.002 176.630 176.870 -0.397 0.000 1.065 425 L CA -0.551 54.077 54.840 -0.353 0.000 0.806 425 L CB 0.579 42.517 42.059 -0.202 0.000 1.175 425 L HN 0.700 nan 8.230 nan 0.000 0.431 426 W N 2.612 123.850 121.300 -0.103 0.000 3.077 426 W HA 0.096 4.753 4.660 -0.005 0.000 0.266 426 W C -0.225 176.383 176.519 0.147 0.000 1.300 426 W CA -0.255 57.113 57.345 0.039 0.000 1.586 426 W CB 0.284 29.828 29.460 0.139 0.000 1.103 426 W HN 0.506 nan 8.180 nan 0.000 0.652 427 Y N -2.316 118.096 120.300 0.187 0.000 2.717 427 Y HA 0.480 5.028 4.550 -0.003 0.000 0.345 427 Y C -1.393 174.558 175.900 0.086 0.000 1.187 427 Y CA -2.174 55.999 58.100 0.121 0.000 1.128 427 Y CB 0.274 38.804 38.460 0.117 0.000 1.360 427 Y HN -0.155 nan 8.280 nan 0.000 0.467 428 Q N 2.615 122.520 119.800 0.174 0.000 2.271 428 Q HA 0.585 4.920 4.340 -0.008 0.000 0.268 428 Q C -1.517 174.582 176.000 0.166 0.000 1.021 428 Q CA -0.917 54.941 55.803 0.092 0.000 0.802 428 Q CB 3.159 31.912 28.738 0.026 0.000 1.282 428 Q HN 0.701 nan 8.270 nan 0.000 0.431 429 L N 2.227 123.549 121.223 0.165 0.000 2.380 429 L HA 0.201 4.536 4.340 -0.008 0.000 0.273 429 L C 0.633 177.579 176.870 0.127 0.000 1.138 429 L CA -0.608 54.318 54.840 0.144 0.000 0.832 429 L CB 0.237 42.363 42.059 0.112 0.000 1.124 429 L HN 0.423 nan 8.230 nan 0.000 0.454 430 E N 2.696 122.993 120.200 0.161 0.000 2.437 430 E HA -0.050 4.295 4.350 -0.008 0.000 0.263 430 E C 0.516 177.258 176.600 0.237 0.000 1.030 430 E CA 0.249 56.752 56.400 0.172 0.000 0.934 430 E CB 0.690 30.502 29.700 0.186 0.000 0.943 430 E HN 0.470 nan 8.360 nan 0.000 0.444 431 K N 1.191 121.672 120.400 0.134 0.000 2.243 431 K HA 0.035 4.350 4.320 -0.008 0.000 0.201 431 K C 0.511 177.187 176.600 0.127 0.000 1.051 431 K CA 0.585 56.951 56.287 0.131 0.000 0.970 431 K CB 0.409 32.938 32.500 0.047 0.000 0.755 431 K HN 0.344 nan 8.250 nan 0.000 0.465 432 E N 0.440 120.602 120.200 -0.064 0.000 2.339 432 E HA 0.330 4.675 4.350 -0.008 0.000 0.262 432 E C -2.670 173.348 176.600 -0.969 0.000 0.934 432 E CA -2.449 53.729 56.400 -0.370 0.000 0.802 432 E CB 1.450 31.022 29.700 -0.213 0.000 1.275 432 E HN -0.135 nan 8.360 nan 0.000 0.427 433 P HA 0.292 nan 4.420 nan 0.000 0.277 433 P C -0.133 176.938 177.300 -0.383 0.000 1.240 433 P CA -0.193 62.266 63.100 -1.068 0.000 0.798 433 P CB 0.711 32.031 31.700 -0.633 0.000 0.979 434 I N 1.924 122.386 120.570 -0.180 0.000 2.352 434 I HA 0.106 4.271 4.170 -0.008 0.000 0.290 434 I C 0.769 176.859 176.117 -0.046 0.000 1.036 434 I CA -0.772 60.484 61.300 -0.074 0.000 1.336 434 I CB 0.901 38.895 38.000 -0.010 0.000 1.407 434 I HN 0.030 nan 8.210 nan 0.000 0.497 435 V N 6.531 126.419 119.914 -0.044 0.000 2.637 435 V HA 0.208 4.323 4.120 -0.008 0.000 0.296 435 V C 1.276 177.366 176.094 -0.005 0.000 1.046 435 V CA 1.306 63.592 62.300 -0.024 0.000 1.066 435 V CB 0.773 32.581 31.823 -0.025 0.000 0.968 435 V HN 1.145 nan 8.190 nan 0.000 0.483 436 G N 3.961 112.764 108.800 0.005 0.000 2.184 436 G HA2 -0.164 3.791 3.960 -0.008 0.000 0.264 436 G HA3 -0.164 3.791 3.960 -0.008 0.000 0.264 436 G C 0.382 175.297 174.900 0.026 0.000 0.975 436 G CA 0.265 45.373 45.100 0.014 0.000 0.642 436 G HN 1.505 nan 8.290 nan 0.000 0.536 437 A N -0.029 122.810 122.820 0.031 0.000 2.304 437 A HA 0.701 5.016 4.320 -0.008 0.000 0.301 437 A C 0.392 178.025 177.584 0.082 0.000 1.132 437 A CA 0.159 52.227 52.037 0.051 0.000 0.819 437 A CB 0.615 19.642 19.000 0.044 0.000 1.094 437 A HN 0.503 nan 8.150 nan 0.000 0.492 438 E N 0.501 120.777 120.200 0.126 0.000 2.415 438 E HA 0.171 4.516 4.350 -0.008 0.000 0.262 438 E C -0.609 176.131 176.600 0.233 0.000 1.038 438 E CA 0.361 56.862 56.400 0.169 0.000 0.921 438 E CB 0.440 30.293 29.700 0.257 0.000 0.950 438 E HN 0.552 nan 8.360 nan 0.000 0.438 439 T N 4.879 119.523 114.554 0.150 0.000 2.801 439 T HA 0.260 4.605 4.350 -0.008 0.000 0.306 439 T C -0.814 173.939 174.700 0.088 0.000 1.020 439 T CA -0.396 61.773 62.100 0.115 0.000 0.948 439 T CB -0.111 68.807 68.868 0.083 0.000 0.962 439 T HN 0.220 nan 8.240 nan 0.000 0.465 440 F N 3.501 123.355 119.950 -0.160 0.000 2.406 440 F HA 0.329 4.844 4.527 -0.021 0.000 0.358 440 F C 0.106 175.816 175.800 -0.150 0.000 1.161 440 F CA -1.556 56.362 58.000 -0.136 0.000 1.185 440 F CB -0.163 38.688 39.000 -0.249 0.000 1.421 440 F HN 0.525 nan 8.300 nan 0.000 0.576 441 Y N 2.681 123.049 120.300 0.112 0.000 2.587 441 Y HA 0.334 4.878 4.550 -0.011 0.000 0.344 441 Y C 0.611 176.598 175.900 0.145 0.000 1.061 441 Y CA -0.742 57.412 58.100 0.089 0.000 1.370 441 Y CB 0.003 38.484 38.460 0.035 0.000 1.163 441 Y HN 0.347 nan 8.280 nan 0.000 0.527 442 V N 0.265 120.298 119.914 0.200 0.000 3.093 442 V HA 0.770 4.885 4.120 -0.008 0.000 0.320 442 V C -0.456 175.722 176.094 0.139 0.000 1.093 442 V CA -0.699 61.730 62.300 0.215 0.000 1.016 442 V CB 2.311 34.245 31.823 0.185 0.000 1.096 442 V HN 0.712 nan 8.190 nan 0.000 0.452 443 D N -0.747 119.725 120.400 0.122 0.000 2.783 443 D HA 0.540 5.175 4.640 -0.008 0.000 0.253 443 D C -0.878 175.463 176.300 0.069 0.000 1.206 443 D CA 0.352 54.396 54.000 0.073 0.000 0.740 443 D CB 2.033 42.857 40.800 0.039 0.000 1.313 443 D HN 1.240 nan 8.370 nan 0.000 0.427 444 G N -0.362 108.472 108.800 0.057 0.000 2.704 444 G HA2 0.875 4.830 3.960 -0.008 0.000 0.293 444 G HA3 0.875 4.830 3.960 -0.008 0.000 0.293 444 G C -1.765 173.161 174.900 0.044 0.000 1.421 444 G CA -0.095 45.038 45.100 0.055 0.000 0.870 444 G HN 0.685 nan 8.290 nan 0.000 0.492 445 A N -0.795 122.049 122.820 0.039 0.000 2.547 445 A HA 0.932 5.247 4.320 -0.008 0.000 0.298 445 A C -0.362 177.240 177.584 0.031 0.000 1.062 445 A CA 0.285 52.344 52.037 0.036 0.000 0.748 445 A CB 0.991 20.012 19.000 0.036 0.000 1.288 445 A HN 2.342 nan 8.150 nan 0.000 0.396 446 A N 1.494 124.330 122.820 0.028 0.000 2.344 446 A HA 0.870 5.185 4.320 -0.008 0.000 0.307 446 A C -0.271 177.325 177.584 0.020 0.000 1.151 446 A CA -0.695 51.355 52.037 0.022 0.000 0.842 446 A CB 1.065 20.076 19.000 0.018 0.000 1.350 446 A HN 0.951 nan 8.150 nan 0.000 0.459 447 N N -0.082 118.627 118.700 0.015 0.000 2.476 447 N HA 0.142 4.877 4.740 -0.008 0.000 0.257 447 N C 0.720 176.236 175.510 0.009 0.000 0.970 447 N CA -0.431 52.627 53.050 0.013 0.000 0.938 447 N CB 1.369 39.863 38.487 0.011 0.000 1.144 447 N HN 0.686 nan 8.380 nan 0.000 0.500 448 R N 3.938 124.443 120.500 0.008 0.000 2.189 448 R HA -0.266 4.069 4.340 -0.008 0.000 0.252 448 R C 0.870 177.172 176.300 0.004 0.000 1.134 448 R CA 2.600 58.703 56.100 0.005 0.000 0.954 448 R CB -0.169 30.133 30.300 0.004 0.000 0.890 448 R HN 0.674 nan 8.270 nan 0.000 0.443 449 E N -1.352 118.851 120.200 0.004 0.000 2.033 449 E HA -0.047 4.298 4.350 -0.008 0.000 0.189 449 E C 1.940 178.543 176.600 0.004 0.000 0.979 449 E CA 1.822 58.225 56.400 0.004 0.000 0.802 449 E CB -0.438 29.264 29.700 0.004 0.000 0.763 449 E HN 0.653 nan 8.360 nan 0.000 0.449 450 T N -1.524 113.033 114.554 0.005 0.000 3.088 450 T HA 0.049 4.394 4.350 -0.008 0.000 0.259 450 T C 0.542 175.246 174.700 0.007 0.000 1.122 450 T CA 0.063 62.167 62.100 0.006 0.000 1.095 450 T CB -0.046 68.826 68.868 0.006 0.000 0.930 450 T HN -0.114 nan 8.240 nan 0.000 0.508 451 K N 0.303 120.707 120.400 0.007 0.000 3.209 451 K HA -0.117 4.198 4.320 -0.008 0.000 0.289 451 K C -0.406 176.201 176.600 0.011 0.000 1.191 451 K CA 0.363 56.655 56.287 0.008 0.000 0.851 451 K CB -2.579 29.926 32.500 0.008 0.000 1.242 451 K HN 0.544 nan 8.250 nan 0.000 0.480 452 L N 0.073 121.303 121.223 0.011 0.000 2.307 452 L HA 0.661 4.996 4.340 -0.008 0.000 0.284 452 L C 1.010 177.888 176.870 0.013 0.000 1.023 452 L CA -0.250 54.597 54.840 0.011 0.000 0.810 452 L CB 1.988 44.052 42.059 0.009 0.000 1.231 452 L HN 0.249 nan 8.230 nan 0.000 0.423 453 G N 2.494 111.303 108.800 0.016 0.000 2.788 453 G HA2 0.654 4.609 3.960 -0.008 0.000 0.293 453 G HA3 0.654 4.609 3.960 -0.008 0.000 0.293 453 G C -1.720 173.190 174.900 0.017 0.000 1.392 453 G CA -0.571 44.540 45.100 0.018 0.000 0.810 453 G HN 0.410 nan 8.290 nan 0.000 0.508 454 K N -0.988 119.423 120.400 0.018 0.000 2.477 454 K HA 0.765 5.080 4.320 -0.008 0.000 0.255 454 K C -0.956 175.658 176.600 0.023 0.000 0.952 454 K CA -0.713 55.582 56.287 0.013 0.000 0.826 454 K CB 2.750 35.251 32.500 0.002 0.000 1.331 454 K HN 0.793 nan 8.250 nan 0.000 0.437 455 A N 0.677 123.509 122.820 0.020 0.000 2.475 455 A HA 0.938 5.253 4.320 -0.008 0.000 0.301 455 A C -0.734 176.859 177.584 0.014 0.000 1.059 455 A CA -0.351 51.709 52.037 0.040 0.000 0.710 455 A CB 1.990 21.028 19.000 0.064 0.000 1.288 455 A HN 0.792 nan 8.150 nan 0.000 0.408 456 G N -0.552 108.269 108.800 0.036 0.000 2.342 456 G HA2 0.661 4.616 3.960 -0.008 0.000 0.297 456 G HA3 0.661 4.616 3.960 -0.008 0.000 0.297 456 G C -1.498 173.456 174.900 0.090 0.000 1.313 456 G CA 0.239 45.316 45.100 -0.037 0.000 0.830 456 G HN 2.121 nan 8.290 nan 0.000 0.506 457 Y N -2.654 117.691 120.300 0.073 0.000 2.670 457 Y HA 0.862 5.395 4.550 -0.028 0.000 0.334 457 Y C -1.335 174.588 175.900 0.038 0.000 1.185 457 Y CA -1.711 56.448 58.100 0.098 0.000 1.053 457 Y CB 1.545 40.123 38.460 0.197 0.000 1.298 457 Y HN 1.228 nan 8.280 nan 0.000 0.459 458 V N 1.442 121.579 119.914 0.372 0.000 2.932 458 V HA 0.788 4.903 4.120 -0.008 0.000 0.307 458 V C -0.738 175.435 176.094 0.132 0.000 1.147 458 V CA 0.457 62.864 62.300 0.179 0.000 0.951 458 V CB 1.912 33.770 31.823 0.057 0.000 1.031 458 V HN 1.487 nan 8.190 nan 0.000 0.426 459 T N 2.292 116.830 114.554 -0.028 0.000 2.718 459 T HA 0.414 4.759 4.350 -0.008 0.000 0.267 459 T C 0.854 175.533 174.700 -0.036 0.000 0.957 459 T CA 0.051 62.092 62.100 -0.097 0.000 1.025 459 T CB 1.549 70.109 68.868 -0.513 0.000 1.355 459 T HN 0.787 nan 8.240 nan 0.000 0.572 460 N N 0.100 118.791 118.700 -0.015 0.000 2.376 460 N HA -0.012 4.723 4.740 -0.008 0.000 0.177 460 N C 1.128 176.622 175.510 -0.028 0.000 1.024 460 N CA 0.487 53.539 53.050 0.004 0.000 0.893 460 N CB -0.236 38.280 38.487 0.049 0.000 0.980 460 N HN 0.588 nan 8.380 nan 0.000 0.439 461 K N 0.033 120.398 120.400 -0.058 0.000 2.476 461 K HA 0.140 4.455 4.320 -0.008 0.000 0.196 461 K C 0.537 177.110 176.600 -0.045 0.000 1.025 461 K CA 0.360 56.619 56.287 -0.045 0.000 1.138 461 K CB 0.014 32.487 32.500 -0.045 0.000 0.860 461 K HN 0.410 nan 8.250 nan 0.000 0.515 462 G N 2.040 110.810 108.800 -0.052 0.000 2.234 462 G HA2 -0.353 3.602 3.960 -0.008 0.000 0.260 462 G HA3 -0.353 3.602 3.960 -0.008 0.000 0.260 462 G C 0.203 175.082 174.900 -0.034 0.000 0.987 462 G CA 0.205 45.282 45.100 -0.040 0.000 0.625 462 G HN 0.424 nan 8.290 nan 0.000 0.532 463 R N 0.950 121.422 120.500 -0.048 0.000 2.640 463 R HA 0.422 4.757 4.340 -0.008 0.000 0.270 463 R C 0.168 176.504 176.300 0.060 0.000 1.024 463 R CA 0.762 56.862 56.100 -0.000 0.000 1.085 463 R CB 0.124 30.402 30.300 -0.037 0.000 0.963 463 R HN 0.539 nan 8.270 nan 0.000 0.426 464 Q N 1.932 121.763 119.800 0.052 0.000 2.626 464 Q HA 0.460 4.795 4.340 -0.008 0.000 0.300 464 Q C -1.605 174.213 176.000 -0.304 0.000 0.988 464 Q CA -1.076 54.677 55.803 -0.083 0.000 0.761 464 Q CB 2.723 31.411 28.738 -0.084 0.000 1.494 464 Q HN 0.562 nan 8.270 nan 0.000 0.439 465 K N 0.166 120.262 120.400 -0.507 0.000 2.688 465 K HA 0.398 4.713 4.320 -0.008 0.000 0.270 465 K C -2.306 174.048 176.600 -0.409 0.000 1.013 465 K CA -0.275 55.702 56.287 -0.518 0.000 0.924 465 K CB 1.572 33.581 32.500 -0.818 0.000 1.378 465 K HN 0.342 nan 8.250 nan 0.000 0.402 466 V N 3.746 123.527 119.914 -0.223 0.000 2.612 466 V HA 0.486 4.601 4.120 -0.008 0.000 0.301 466 V C -0.902 175.137 176.094 -0.092 0.000 1.059 466 V CA -0.839 61.379 62.300 -0.136 0.000 0.886 466 V CB 1.874 33.643 31.823 -0.091 0.000 1.007 466 V HN 0.519 nan 8.190 nan 0.000 0.426 467 V N 6.664 126.540 119.914 -0.063 0.000 2.581 467 V HA 0.604 4.719 4.120 -0.008 0.000 0.303 467 V C -2.275 173.810 176.094 -0.014 0.000 1.041 467 V CA -1.874 60.405 62.300 -0.035 0.000 0.907 467 V CB 2.543 34.353 31.823 -0.022 0.000 0.994 467 V HN 0.739 nan 8.190 nan 0.000 0.442 468 P HA 0.564 nan 4.420 nan 0.000 0.286 468 P C -1.489 175.816 177.300 0.008 0.000 1.261 468 P CA -0.468 62.632 63.100 -0.001 0.000 0.821 468 P CB 1.788 33.486 31.700 -0.004 0.000 1.013 469 L N 1.979 123.210 121.223 0.013 0.000 2.436 469 L HA 0.437 4.772 4.340 -0.008 0.000 0.268 469 L C 0.491 177.372 176.870 0.018 0.000 0.974 469 L CA -0.495 54.356 54.840 0.020 0.000 0.826 469 L CB 2.421 44.497 42.059 0.029 0.000 1.291 469 L HN 0.376 nan 8.230 nan 0.000 0.406 470 T N -1.105 113.459 114.554 0.017 0.000 2.907 470 T HA 0.365 4.710 4.350 -0.008 0.000 0.284 470 T C 0.242 174.952 174.700 0.017 0.000 1.004 470 T CA -0.675 61.434 62.100 0.015 0.000 1.063 470 T CB 1.321 70.197 68.868 0.012 0.000 0.992 470 T HN 0.633 nan 8.240 nan 0.000 0.483 471 N N 0.294 119.002 118.700 0.014 0.000 2.608 471 N HA -0.191 4.544 4.740 -0.008 0.000 0.273 471 N C -0.710 174.810 175.510 0.017 0.000 1.133 471 N CA 1.338 54.396 53.050 0.014 0.000 0.726 471 N CB -1.114 37.381 38.487 0.014 0.000 0.890 471 N HN 1.033 nan 8.380 nan 0.000 0.548 472 T N 0.033 114.598 114.554 0.017 0.000 2.792 472 T HA 0.764 5.109 4.350 -0.008 0.000 0.303 472 T C -0.953 173.756 174.700 0.015 0.000 1.310 472 T CA 0.108 62.221 62.100 0.021 0.000 1.007 472 T CB 1.123 70.008 68.868 0.029 0.000 1.335 472 T HN 0.453 nan 8.240 nan 0.000 0.504 473 T N 0.785 115.347 114.554 0.014 0.000 2.885 473 T HA 0.438 4.783 4.350 -0.008 0.000 0.285 473 T C 0.930 175.630 174.700 0.000 0.000 1.019 473 T CA -0.852 61.248 62.100 -0.000 0.000 1.010 473 T CB 1.366 70.225 68.868 -0.016 0.000 1.022 473 T HN 0.487 nan 8.240 nan 0.000 0.466 474 N N 0.354 119.049 118.700 -0.008 0.000 2.659 474 N HA -0.119 4.616 4.740 -0.008 0.000 0.194 474 N C 1.258 176.760 175.510 -0.013 0.000 1.140 474 N CA 0.984 54.034 53.050 0.000 0.000 0.936 474 N CB -0.008 38.480 38.487 0.002 0.000 0.970 474 N HN 0.676 nan 8.380 nan 0.000 0.449 475 Q N -0.697 119.072 119.800 -0.053 0.000 2.462 475 Q HA 0.121 4.456 4.340 -0.008 0.000 0.224 475 Q C 1.661 177.701 176.000 0.066 0.000 0.911 475 Q CA 0.018 55.764 55.803 -0.095 0.000 0.925 475 Q CB 0.376 28.869 28.738 -0.409 0.000 1.063 475 Q HN 0.177 nan 8.270 nan 0.000 0.572 476 K N 0.338 120.767 120.400 0.050 0.000 2.009 476 K HA -0.174 4.141 4.320 -0.008 0.000 0.210 476 K C 2.274 178.932 176.600 0.097 0.000 1.049 476 K CA 2.042 58.380 56.287 0.086 0.000 0.929 476 K CB -0.252 32.282 32.500 0.057 0.000 0.714 476 K HN 0.328 nan 8.250 nan 0.000 0.440 477 T N -0.014 114.586 114.554 0.076 0.000 2.665 477 T HA -0.175 4.170 4.350 -0.008 0.000 0.268 477 T C 1.664 176.425 174.700 0.101 0.000 1.035 477 T CA 1.208 63.356 62.100 0.079 0.000 1.151 477 T CB -0.337 68.567 68.868 0.059 0.000 0.862 477 T HN 0.163 nan 8.240 nan 0.000 0.438 478 E N 1.186 121.454 120.200 0.112 0.000 2.171 478 E HA -0.074 4.271 4.350 -0.008 0.000 0.197 478 E C 2.235 178.922 176.600 0.144 0.000 0.997 478 E CA 0.980 57.461 56.400 0.136 0.000 0.810 478 E CB -0.373 29.434 29.700 0.178 0.000 0.738 478 E HN 0.556 nan 8.360 nan 0.000 0.467 479 L N 0.005 121.319 121.223 0.152 0.000 2.127 479 L HA -0.129 4.206 4.340 -0.008 0.000 0.203 479 L C 2.676 179.624 176.870 0.131 0.000 1.080 479 L CA 0.601 55.516 54.840 0.124 0.000 0.768 479 L CB -0.134 42.000 42.059 0.125 0.000 0.924 479 L HN 0.065 nan 8.230 nan 0.000 0.444 480 Q N 0.355 120.243 119.800 0.147 0.000 2.096 480 Q HA -0.200 4.135 4.340 -0.008 0.000 0.204 480 Q C 2.158 178.276 176.000 0.195 0.000 0.982 480 Q CA 2.083 58.005 55.803 0.198 0.000 0.850 480 Q CB -0.234 28.598 28.738 0.156 0.000 0.901 480 Q HN 0.446 nan 8.270 nan 0.000 0.422 481 A N 0.019 122.931 122.820 0.153 0.000 1.986 481 A HA -0.179 4.136 4.320 -0.008 0.000 0.220 481 A C 2.052 179.739 177.584 0.171 0.000 1.171 481 A CA 1.585 53.720 52.037 0.164 0.000 0.640 481 A CB -0.686 18.398 19.000 0.140 0.000 0.811 481 A HN 0.514 nan 8.150 nan 0.000 0.451 482 I N -2.368 118.282 120.570 0.134 0.000 2.480 482 I HA -0.135 4.030 4.170 -0.008 0.000 0.251 482 I C 2.401 178.585 176.117 0.112 0.000 1.124 482 I CA 0.868 62.217 61.300 0.081 0.000 1.444 482 I CB -0.367 37.656 38.000 0.039 0.000 1.098 482 I HN 0.472 nan 8.210 nan 0.000 0.428 483 Y N 2.226 122.525 120.300 -0.002 0.000 2.114 483 Y HA -0.264 4.303 4.550 0.029 0.000 0.282 483 Y C 2.259 178.160 175.900 0.001 0.000 1.165 483 Y CA 1.544 59.635 58.100 -0.015 0.000 1.148 483 Y CB -0.727 37.735 38.460 0.004 0.000 0.972 483 Y HN 0.042 nan 8.280 nan 0.000 0.504 484 L N -0.371 120.855 121.223 0.004 0.000 1.989 484 L HA -0.239 4.096 4.340 -0.008 0.000 0.211 484 L C 2.798 179.680 176.870 0.019 0.000 1.071 484 L CA 1.458 56.298 54.840 0.000 0.000 0.749 484 L CB -1.139 41.049 42.059 0.214 0.000 0.890 484 L HN 0.243 nan 8.230 nan 0.000 0.431 485 A N -0.281 122.529 122.820 -0.017 0.000 1.978 485 A HA -0.172 4.143 4.320 -0.008 0.000 0.220 485 A C 2.239 179.471 177.584 -0.587 0.000 1.170 485 A CA 1.538 53.310 52.037 -0.440 0.000 0.636 485 A CB -0.653 18.158 19.000 -0.315 0.000 0.810 485 A HN 0.397 nan 8.150 nan 0.000 0.448 486 L N -1.262 119.787 121.223 -0.290 0.000 2.240 486 L HA -0.133 4.202 4.340 -0.008 0.000 0.211 486 L C 2.787 179.537 176.870 -0.201 0.000 1.106 486 L CA 0.854 55.549 54.840 -0.243 0.000 0.793 486 L CB -0.256 41.751 42.059 -0.087 0.000 0.927 486 L HN 0.471 nan 8.230 nan 0.000 0.446 487 Q N -0.303 119.378 119.800 -0.199 0.000 2.062 487 Q HA -0.118 4.217 4.340 -0.008 0.000 0.196 487 Q C 0.457 176.388 176.000 -0.115 0.000 0.967 487 Q CA 1.003 56.702 55.803 -0.173 0.000 0.832 487 Q CB 0.134 28.702 28.738 -0.284 0.000 0.899 487 Q HN 0.396 nan 8.270 nan 0.000 0.442 488 D N 0.863 121.209 120.400 -0.089 0.000 2.538 488 D HA 0.045 4.680 4.640 -0.008 0.000 0.234 488 D C -0.375 175.922 176.300 -0.004 0.000 1.191 488 D CA 0.128 54.141 54.000 0.022 0.000 0.828 488 D CB 0.105 41.035 40.800 0.217 0.000 0.981 488 D HN 0.074 nan 8.370 nan 0.000 0.490 489 S N -1.832 113.768 115.700 -0.167 0.000 2.599 489 S HA 0.758 5.223 4.470 -0.008 0.000 0.294 489 S C 0.701 175.241 174.600 -0.100 0.000 1.094 489 S CA -0.974 57.109 58.200 -0.195 0.000 0.931 489 S CB 2.065 64.873 63.200 -0.652 0.000 1.093 489 S HN 0.064 nan 8.310 nan 0.000 0.488 490 G N 0.077 108.854 108.800 -0.038 0.000 2.527 490 G HA2 0.314 4.269 3.960 -0.008 0.000 0.279 490 G HA3 0.314 4.269 3.960 -0.008 0.000 0.279 490 G C 0.619 175.495 174.900 -0.040 0.000 1.374 490 G CA -0.702 44.387 45.100 -0.018 0.000 1.053 490 G HN 0.737 nan 8.290 nan 0.000 0.539 491 L N -0.622 120.591 121.223 -0.018 0.000 2.291 491 L HA 0.118 4.453 4.340 -0.008 0.000 0.214 491 L C 0.930 177.789 176.870 -0.019 0.000 1.120 491 L CA 0.978 55.808 54.840 -0.017 0.000 0.799 491 L CB -0.208 41.850 42.059 -0.002 0.000 0.925 491 L HN 0.481 nan 8.230 nan 0.000 0.446 492 E N -0.876 119.315 120.200 -0.015 0.000 2.266 492 E HA 0.574 4.919 4.350 -0.008 0.000 0.268 492 E C -1.317 175.272 176.600 -0.019 0.000 0.879 492 E CA -0.367 56.028 56.400 -0.009 0.000 0.762 492 E CB 3.390 33.094 29.700 0.008 0.000 1.199 492 E HN -0.220 nan 8.360 nan 0.000 0.422 493 V N 2.353 122.254 119.914 -0.022 0.000 3.036 493 V HA 0.266 4.381 4.120 -0.008 0.000 0.288 493 V C -1.997 174.101 176.094 0.007 0.000 1.407 493 V CA -0.791 61.488 62.300 -0.036 0.000 0.983 493 V CB 2.375 34.072 31.823 -0.209 0.000 1.128 493 V HN 0.678 nan 8.190 nan 0.000 0.439 494 N N 5.786 124.522 118.700 0.060 0.000 2.424 494 N HA 0.620 5.355 4.740 -0.008 0.000 0.271 494 N C -0.897 174.621 175.510 0.013 0.000 0.985 494 N CA -0.178 52.936 53.050 0.107 0.000 0.921 494 N CB 2.170 40.758 38.487 0.168 0.000 1.149 494 N HN 0.612 nan 8.380 nan 0.000 0.492 495 I N 1.218 121.750 120.570 -0.064 0.000 2.562 495 I HA 0.427 4.591 4.170 -0.008 0.000 0.301 495 I C -0.270 175.751 176.117 -0.161 0.000 1.003 495 I CA -1.052 60.184 61.300 -0.107 0.000 1.127 495 I CB 2.059 39.985 38.000 -0.122 0.000 1.304 495 I HN -0.018 nan 8.210 nan 0.000 0.446 496 V N 3.596 123.395 119.914 -0.192 0.000 2.483 496 V HA 0.457 4.572 4.120 -0.008 0.000 0.297 496 V C -0.198 175.838 176.094 -0.096 0.000 1.027 496 V CA -0.409 61.768 62.300 -0.205 0.000 0.855 496 V CB 1.845 33.417 31.823 -0.418 0.000 0.995 496 V HN 0.839 nan 8.190 nan 0.000 0.424 497 T N 1.132 115.654 114.554 -0.053 0.000 2.916 497 T HA 0.490 4.835 4.350 -0.008 0.000 0.292 497 T C 0.063 174.714 174.700 -0.081 0.000 1.055 497 T CA -0.263 61.835 62.100 -0.004 0.000 1.009 497 T CB 1.902 70.811 68.868 0.069 0.000 1.118 497 T HN 0.847 nan 8.240 nan 0.000 0.497 498 D N 0.836 121.187 120.400 -0.082 0.000 2.395 498 D HA 0.199 4.834 4.640 -0.008 0.000 0.213 498 D C 0.411 176.809 176.300 0.163 0.000 1.110 498 D CA -0.257 53.599 54.000 -0.239 0.000 0.835 498 D CB 0.226 40.890 40.800 -0.227 0.000 0.965 498 D HN 0.280 nan 8.370 nan 0.000 0.505 499 S N 0.415 116.282 115.700 0.278 0.000 2.405 499 S HA 0.058 4.523 4.470 -0.008 0.000 0.291 499 S C 1.149 175.998 174.600 0.414 0.000 1.137 499 S CA -0.448 57.953 58.200 0.335 0.000 1.061 499 S CB 0.622 63.969 63.200 0.246 0.000 1.001 499 S HN 0.182 nan 8.310 nan 0.000 0.507 500 Q N 3.588 123.629 119.800 0.401 0.000 2.050 500 Q HA -0.177 4.158 4.340 -0.008 0.000 0.202 500 Q C 1.393 177.411 176.000 0.030 0.000 0.980 500 Q CA 1.768 57.595 55.803 0.040 0.000 0.840 500 Q CB -0.386 28.353 28.738 0.002 0.000 0.898 500 Q HN 0.989 nan 8.270 nan 0.000 0.424 501 Y N 1.598 121.907 120.300 0.014 0.000 2.030 501 Y HA -0.324 4.220 4.550 -0.010 0.000 0.274 501 Y C 2.346 178.252 175.900 0.009 0.000 1.153 501 Y CA 1.867 59.972 58.100 0.008 0.000 1.115 501 Y CB -0.735 37.748 38.460 0.039 0.000 0.969 501 Y HN 0.077 nan 8.280 nan 0.000 0.488 502 A N 0.038 122.803 122.820 -0.092 0.000 2.032 502 A HA -0.203 4.112 4.320 -0.008 0.000 0.221 502 A C 2.202 179.677 177.584 -0.182 0.000 1.165 502 A CA 1.843 53.745 52.037 -0.224 0.000 0.645 502 A CB -1.211 17.817 19.000 0.046 0.000 0.807 502 A HN 0.609 nan 8.150 nan 0.000 0.453 503 L N -0.273 120.889 121.223 -0.102 0.000 2.072 503 L HA 0.059 4.394 4.340 -0.008 0.000 0.205 503 L C 2.462 179.232 176.870 -0.167 0.000 1.079 503 L CA 2.036 56.813 54.840 -0.106 0.000 0.752 503 L CB -1.032 40.965 42.059 -0.102 0.000 0.906 503 L HN 0.302 nan 8.230 nan 0.000 0.436 504 G N -0.103 108.569 108.800 -0.214 0.000 2.446 504 G HA2 -0.280 3.675 3.960 -0.008 0.000 0.217 504 G HA3 -0.280 3.675 3.960 -0.008 0.000 0.217 504 G C 1.625 176.416 174.900 -0.182 0.000 1.168 504 G CA 1.207 46.181 45.100 -0.210 0.000 0.771 504 G HN 0.465 nan 8.290 nan 0.000 0.551 505 I N 0.474 120.878 120.570 -0.276 0.000 2.530 505 I HA -0.108 4.057 4.170 -0.008 0.000 0.257 505 I C 2.145 178.148 176.117 -0.189 0.000 1.179 505 I CA 0.932 62.056 61.300 -0.293 0.000 1.440 505 I CB -0.091 37.637 38.000 -0.453 0.000 1.087 505 I HN 0.216 nan 8.210 nan 0.000 0.440 506 I N -0.767 119.731 120.570 -0.120 0.000 3.941 506 I HA -0.041 4.124 4.170 -0.008 0.000 0.321 506 I C 1.939 178.082 176.117 0.044 0.000 1.284 506 I CA 0.243 61.537 61.300 -0.010 0.000 1.226 506 I CB -0.051 37.940 38.000 -0.016 0.000 1.045 506 I HN 0.143 nan 8.210 nan 0.000 0.420 507 Q N 1.073 120.865 119.800 -0.014 0.000 2.482 507 Q HA 0.093 4.427 4.340 -0.008 0.000 0.209 507 Q C 1.781 177.839 176.000 0.097 0.000 0.961 507 Q CA 0.626 56.428 55.803 -0.001 0.000 0.945 507 Q CB 0.285 28.959 28.738 -0.106 0.000 1.012 507 Q HN 0.519 nan 8.270 nan 0.000 0.515 508 A N 0.090 122.991 122.820 0.135 0.000 2.390 508 A HA 0.030 4.345 4.320 -0.008 0.000 0.232 508 A C 0.119 177.865 177.584 0.271 0.000 1.233 508 A CA -0.284 51.920 52.037 0.279 0.000 0.907 508 A CB 0.191 19.345 19.000 0.257 0.000 0.967 508 A HN 0.379 nan 8.150 nan 0.000 0.512 509 Q N 0.063 119.982 119.800 0.198 0.000 2.406 509 Q HA -0.147 4.188 4.340 -0.008 0.000 0.339 509 Q C -2.169 173.927 176.000 0.159 0.000 1.337 509 Q CA 0.485 56.379 55.803 0.152 0.000 0.985 509 Q CB -1.748 27.025 28.738 0.058 0.000 1.216 509 Q HN 0.587 nan 8.270 nan 0.000 0.415 510 P HA -0.012 nan 4.420 nan 0.000 0.271 510 P C -0.203 177.218 177.300 0.201 0.000 1.218 510 P CA 0.242 63.437 63.100 0.158 0.000 0.780 510 P CB 0.813 32.563 31.700 0.085 0.000 0.901 511 D N 0.053 120.564 120.400 0.185 0.000 2.433 511 D HA 0.209 4.844 4.640 -0.008 0.000 0.211 511 D C 0.217 176.579 176.300 0.104 0.000 1.114 511 D CA 0.030 54.161 54.000 0.219 0.000 0.837 511 D CB 0.410 41.429 40.800 0.365 0.000 0.984 511 D HN 0.319 nan 8.370 nan 0.000 0.505 512 K N -0.809 119.652 120.400 0.101 0.000 2.610 512 K HA 0.462 4.777 4.320 -0.008 0.000 0.267 512 K C -1.949 174.716 176.600 0.108 0.000 0.943 512 K CA -0.456 55.869 56.287 0.064 0.000 0.862 512 K CB 1.879 34.409 32.500 0.050 0.000 1.376 512 K HN -0.040 nan 8.250 nan 0.000 0.412 513 S N 0.492 116.249 115.700 0.097 0.000 2.720 513 S HA 0.265 4.730 4.470 -0.008 0.000 0.287 513 S C 0.216 174.871 174.600 0.092 0.000 1.168 513 S CA -0.313 57.987 58.200 0.166 0.000 0.832 513 S CB 1.393 64.749 63.200 0.260 0.000 1.166 513 S HN 0.741 nan 8.310 nan 0.000 0.493 514 E N 0.456 120.710 120.200 0.090 0.000 2.060 514 E HA 0.072 4.417 4.350 -0.008 0.000 0.189 514 E C 0.717 177.342 176.600 0.042 0.000 0.974 514 E CA 0.620 57.046 56.400 0.044 0.000 0.808 514 E CB -0.435 29.278 29.700 0.023 0.000 0.768 514 E HN 0.382 nan 8.360 nan 0.000 0.453 515 S N 1.280 117.022 115.700 0.070 0.000 2.515 515 S HA -0.089 4.375 4.470 -0.008 0.000 0.285 515 S C 0.947 175.556 174.600 0.015 0.000 1.265 515 S CA -0.069 58.164 58.200 0.055 0.000 1.079 515 S CB 0.868 64.127 63.200 0.099 0.000 0.877 515 S HN 0.417 nan 8.310 nan 0.000 0.493 516 E N 3.433 123.628 120.200 -0.009 0.000 2.153 516 E HA -0.169 4.176 4.350 -0.008 0.000 0.194 516 E C 1.668 178.209 176.600 -0.097 0.000 0.988 516 E CA 1.094 57.468 56.400 -0.044 0.000 0.811 516 E CB -0.112 29.567 29.700 -0.035 0.000 0.746 516 E HN 0.773 nan 8.360 nan 0.000 0.466 517 L N 0.758 121.928 121.223 -0.088 0.000 1.955 517 L HA -0.183 4.152 4.340 -0.008 0.000 0.213 517 L C 2.378 179.124 176.870 -0.207 0.000 1.072 517 L CA 1.633 56.375 54.840 -0.164 0.000 0.755 517 L CB -1.014 41.005 42.059 -0.067 0.000 0.888 517 L HN 0.045 nan 8.230 nan 0.000 0.432 518 V N 1.001 120.851 119.914 -0.106 0.000 2.428 518 V HA -0.366 3.749 4.120 -0.008 0.000 0.255 518 V C 2.415 178.426 176.094 -0.139 0.000 1.080 518 V CA 2.028 64.260 62.300 -0.112 0.000 1.083 518 V CB -1.062 30.727 31.823 -0.057 0.000 0.665 518 V HN 0.573 nan 8.190 nan 0.000 0.461 519 N N 0.350 118.973 118.700 -0.129 0.000 2.216 519 N HA -0.140 4.595 4.740 -0.008 0.000 0.183 519 N C 1.921 177.318 175.510 -0.189 0.000 1.017 519 N CA 1.427 54.400 53.050 -0.130 0.000 0.861 519 N CB -0.211 38.220 38.487 -0.094 0.000 0.986 519 N HN 0.743 nan 8.380 nan 0.000 0.428 520 Q N 0.296 119.923 119.800 -0.289 0.000 2.245 520 Q HA 0.086 4.421 4.340 -0.008 0.000 0.201 520 Q C 1.982 177.767 176.000 -0.357 0.000 0.955 520 Q CA 0.588 56.175 55.803 -0.360 0.000 0.870 520 Q CB -0.091 28.285 28.738 -0.604 0.000 0.945 520 Q HN 0.338 nan 8.270 nan 0.000 0.461 521 I N 1.204 121.549 120.570 -0.375 0.000 2.179 521 I HA -0.274 3.891 4.170 -0.008 0.000 0.242 521 I C 2.352 178.338 176.117 -0.218 0.000 1.088 521 I CA 1.197 62.358 61.300 -0.231 0.000 1.357 521 I CB -0.219 37.665 38.000 -0.193 0.000 1.051 521 I HN 0.175 nan 8.210 nan 0.000 0.409 522 I N 0.543 120.981 120.570 -0.219 0.000 2.099 522 I HA -0.327 3.837 4.170 -0.008 0.000 0.239 522 I C 2.588 178.579 176.117 -0.210 0.000 1.066 522 I CA 1.521 62.681 61.300 -0.233 0.000 1.324 522 I CB -0.434 37.501 38.000 -0.108 0.000 1.037 522 I HN 0.192 nan 8.210 nan 0.000 0.401 523 E N 0.590 120.693 120.200 -0.163 0.000 2.187 523 E HA -0.302 4.043 4.350 -0.008 0.000 0.199 523 E C 1.976 178.519 176.600 -0.095 0.000 1.004 523 E CA 1.529 57.851 56.400 -0.130 0.000 0.813 523 E CB -0.086 29.546 29.700 -0.113 0.000 0.736 523 E HN 0.319 nan 8.360 nan 0.000 0.468 524 Q N -0.418 119.327 119.800 -0.092 0.000 2.062 524 Q HA 0.059 4.394 4.340 -0.008 0.000 0.196 524 Q C 2.156 178.091 176.000 -0.109 0.000 0.967 524 Q CA 1.139 56.913 55.803 -0.050 0.000 0.832 524 Q CB -0.243 28.511 28.738 0.026 0.000 0.899 524 Q HN 0.372 nan 8.270 nan 0.000 0.442 525 L N -0.155 120.940 121.223 -0.213 0.000 1.971 525 L HA -0.235 4.100 4.340 -0.008 0.000 0.215 525 L C 2.265 179.044 176.870 -0.152 0.000 1.072 525 L CA 1.412 56.070 54.840 -0.304 0.000 0.758 525 L CB -0.629 40.969 42.059 -0.768 0.000 0.889 525 L HN 0.292 nan 8.230 nan 0.000 0.433 526 I N -0.237 120.273 120.570 -0.099 0.000 2.236 526 I HA -0.383 3.782 4.170 -0.008 0.000 0.249 526 I C 2.497 178.649 176.117 0.058 0.000 1.102 526 I CA 1.590 62.938 61.300 0.079 0.000 1.365 526 I CB -0.449 37.584 38.000 0.056 0.000 1.051 526 I HN 0.291 nan 8.210 nan 0.000 0.420 527 K N 0.443 120.844 120.400 0.001 0.000 2.155 527 K HA -0.051 4.264 4.320 -0.008 0.000 0.203 527 K C 0.895 177.499 176.600 0.006 0.000 1.052 527 K CA 0.593 56.883 56.287 0.005 0.000 0.948 527 K CB 0.020 32.512 32.500 -0.013 0.000 0.728 527 K HN 0.181 nan 8.250 nan 0.000 0.448 528 K N 1.056 121.450 120.400 -0.011 0.000 2.187 528 K HA 0.007 4.322 4.320 -0.008 0.000 0.247 528 K C 1.115 177.727 176.600 0.020 0.000 1.019 528 K CA 0.364 56.645 56.287 -0.011 0.000 0.893 528 K CB 0.555 33.032 32.500 -0.039 0.000 1.025 528 K HN -0.012 nan 8.250 nan 0.000 0.500 529 E N 1.154 121.363 120.200 0.015 0.000 2.094 529 E HA 0.064 4.409 4.350 -0.008 0.000 0.193 529 E C -0.174 176.448 176.600 0.037 0.000 0.950 529 E CA 0.979 57.396 56.400 0.029 0.000 0.842 529 E CB 0.376 30.088 29.700 0.020 0.000 0.816 529 E HN 0.345 nan 8.360 nan 0.000 0.465 530 K N 0.836 121.253 120.400 0.027 0.000 2.507 530 K HA 0.507 4.822 4.320 -0.008 0.000 0.252 530 K C -1.205 175.418 176.600 0.038 0.000 0.943 530 K CA -0.383 55.928 56.287 0.040 0.000 0.808 530 K CB 2.983 35.503 32.500 0.033 0.000 1.142 530 K HN -0.179 nan 8.250 nan 0.000 0.426 531 V N 3.307 123.257 119.914 0.060 0.000 2.604 531 V HA 0.340 4.455 4.120 -0.008 0.000 0.305 531 V C -1.497 174.670 176.094 0.122 0.000 1.043 531 V CA -0.863 61.465 62.300 0.048 0.000 0.888 531 V CB 1.606 33.429 31.823 -0.000 0.000 0.995 531 V HN 0.676 nan 8.190 nan 0.000 0.429 532 Y N 5.573 125.859 120.300 -0.023 0.000 2.363 532 Y HA 0.681 5.225 4.550 -0.009 0.000 0.325 532 Y C -1.082 174.807 175.900 -0.019 0.000 0.984 532 Y CA -1.025 57.068 58.100 -0.012 0.000 1.248 532 Y CB 1.489 39.941 38.460 -0.012 0.000 1.116 532 Y HN 0.556 nan 8.280 nan 0.000 0.470 533 L N 5.842 126.738 121.223 -0.543 0.000 2.292 533 L HA 0.852 5.187 4.340 -0.008 0.000 0.284 533 L C -0.650 175.809 176.870 -0.684 0.000 1.065 533 L CA -0.278 54.288 54.840 -0.456 0.000 0.806 533 L CB 0.897 42.824 42.059 -0.220 0.000 1.175 533 L HN 0.768 nan 8.230 nan 0.000 0.431 534 A N 4.337 126.894 122.820 -0.438 0.000 2.414 534 A HA 0.661 4.976 4.320 -0.008 0.000 0.306 534 A C -2.006 175.573 177.584 -0.009 0.000 1.054 534 A CA -0.552 51.330 52.037 -0.260 0.000 0.724 534 A CB 0.859 19.745 19.000 -0.190 0.000 1.267 534 A HN 0.753 nan 8.150 nan 0.000 0.418 535 W N 2.298 123.531 121.300 -0.111 0.000 2.689 535 W HA 0.634 5.288 4.660 -0.010 0.000 0.340 535 W C -1.036 175.471 176.519 -0.020 0.000 1.060 535 W CA -0.488 56.820 57.345 -0.062 0.000 1.218 535 W CB 1.972 31.397 29.460 -0.059 0.000 1.410 535 W HN 0.955 nan 8.180 nan 0.000 0.528 536 V N 3.345 122.683 119.914 -0.959 0.000 2.841 536 V HA 0.689 4.803 4.120 -0.008 0.000 0.310 536 V C -2.576 172.595 176.094 -1.538 0.000 1.090 536 V CA -2.852 58.902 62.300 -0.910 0.000 0.930 536 V CB 1.746 33.337 31.823 -0.387 0.000 1.014 536 V HN 0.540 nan 8.190 nan 0.000 0.425 537 P HA 0.258 nan 4.420 nan 0.000 0.267 537 P C 0.207 177.291 177.300 -0.361 0.000 1.209 537 P CA 0.570 63.236 63.100 -0.724 0.000 0.763 537 P CB 1.037 32.596 31.700 -0.236 0.000 0.816 538 A N 4.090 126.779 122.820 -0.219 0.000 2.409 538 A HA 0.019 4.334 4.320 -0.008 0.000 0.246 538 A C 0.914 178.472 177.584 -0.044 0.000 1.099 538 A CA 0.056 51.998 52.037 -0.159 0.000 0.789 538 A CB -0.910 18.032 19.000 -0.096 0.000 1.053 538 A HN 0.778 nan 8.150 nan 0.000 0.503 539 H N -0.896 118.155 119.070 -0.033 0.000 2.740 539 H HA -0.114 4.438 4.556 -0.007 0.000 0.306 539 H C 0.118 175.431 175.328 -0.024 0.000 1.096 539 H CA 1.380 57.417 56.048 -0.019 0.000 1.155 539 H CB -0.679 29.082 29.762 -0.003 0.000 1.367 539 H HN 0.572 nan 8.280 nan 0.000 0.387 540 K N 0.090 120.506 120.400 0.026 0.000 2.455 540 K HA 0.182 4.497 4.320 -0.008 0.000 0.206 540 K C 1.084 177.679 176.600 -0.009 0.000 1.027 540 K CA 0.507 56.801 56.287 0.011 0.000 1.113 540 K CB 0.539 33.030 32.500 -0.015 0.000 0.850 540 K HN 0.505 nan 8.250 nan 0.000 0.503 541 G N 2.494 111.286 108.800 -0.013 0.000 2.325 541 G HA2 -0.249 3.706 3.960 -0.008 0.000 0.274 541 G HA3 -0.249 3.706 3.960 -0.008 0.000 0.274 541 G C -0.131 174.745 174.900 -0.039 0.000 0.921 541 G CA 0.070 45.155 45.100 -0.026 0.000 1.340 541 G HN 0.326 nan 8.290 nan 0.000 0.447 542 I N 1.173 121.710 120.570 -0.055 0.000 2.382 542 I HA 0.368 4.533 4.170 -0.008 0.000 0.286 542 I C 1.361 177.439 176.117 -0.066 0.000 1.002 542 I CA -0.650 60.620 61.300 -0.050 0.000 1.135 542 I CB 1.692 39.661 38.000 -0.052 0.000 1.288 542 I HN 0.445 nan 8.210 nan 0.000 0.448 543 G N 4.503 113.256 108.800 -0.078 0.000 2.815 543 G HA2 0.152 4.107 3.960 -0.008 0.000 0.304 543 G HA3 0.152 4.107 3.960 -0.008 0.000 0.304 543 G C 0.911 175.630 174.900 -0.302 0.000 0.392 543 G CA 1.009 46.023 45.100 -0.144 0.000 1.202 543 G HN 1.158 nan 8.290 nan 0.000 0.200 544 G N 2.463 110.987 108.800 -0.460 0.000 3.435 544 G HA2 -0.238 3.717 3.960 -0.008 0.000 0.197 544 G HA3 -0.238 3.717 3.960 -0.008 0.000 0.197 544 G C 0.482 175.190 174.900 -0.321 0.000 1.497 544 G CA -0.163 44.322 45.100 -1.026 0.000 1.043 544 G HN 0.676 nan 8.290 nan 0.000 0.466 545 N N 3.092 121.742 118.700 -0.085 0.000 2.498 545 N HA 0.318 5.053 4.740 -0.008 0.000 0.277 545 N C 0.080 175.543 175.510 -0.078 0.000 1.208 545 N CA 1.074 54.101 53.050 -0.038 0.000 1.029 545 N CB 0.213 38.670 38.487 -0.050 0.000 1.403 545 N HN 0.874 nan 8.380 nan 0.000 0.500 546 E N 0.003 120.154 120.200 -0.082 0.000 4.230 546 E HA 0.103 4.448 4.350 -0.008 0.000 0.216 546 E C -0.581 175.989 176.600 -0.051 0.000 1.132 546 E CA -0.389 55.968 56.400 -0.072 0.000 1.404 546 E CB 0.064 29.708 29.700 -0.094 0.000 1.183 546 E HN 0.155 nan 8.360 nan 0.000 0.431 547 Q N 1.207 120.986 119.800 -0.036 0.000 2.842 547 Q HA 0.221 4.555 4.340 -0.008 0.000 0.323 547 Q C 0.171 176.158 176.000 -0.022 0.000 1.111 547 Q CA -0.193 55.599 55.803 -0.018 0.000 1.047 547 Q CB 1.390 30.133 28.738 0.009 0.000 1.280 547 Q HN 0.279 nan 8.270 nan 0.000 0.475 548 V N 0.798 120.700 119.914 -0.021 0.000 3.649 548 V HA -0.074 4.041 4.120 -0.008 0.000 0.275 548 V C 0.875 176.964 176.094 -0.009 0.000 1.281 548 V CA 0.741 63.035 62.300 -0.009 0.000 1.143 548 V CB 0.298 32.115 31.823 -0.009 0.000 0.892 548 V HN 0.490 nan 8.190 nan 0.000 0.441 549 D N 0.590 120.980 120.400 -0.016 0.000 2.264 549 D HA -0.080 4.555 4.640 -0.008 0.000 0.208 549 D C 2.065 178.357 176.300 -0.014 0.000 0.966 549 D CA 0.820 54.808 54.000 -0.020 0.000 0.864 549 D CB 0.193 40.975 40.800 -0.030 0.000 0.933 549 D HN 0.339 nan 8.370 nan 0.000 0.499 550 K N -0.136 120.261 120.400 -0.005 0.000 2.244 550 K HA 0.167 4.482 4.320 -0.008 0.000 0.200 550 K C 2.259 178.865 176.600 0.011 0.000 1.052 550 K CA 0.036 56.325 56.287 0.004 0.000 0.980 550 K CB -0.362 32.144 32.500 0.011 0.000 0.838 550 K HN 0.205 nan 8.250 nan 0.000 0.481 551 L N 1.564 122.796 121.223 0.016 0.000 2.127 551 L HA -0.093 4.242 4.340 -0.008 0.000 0.211 551 L C 1.307 178.187 176.870 0.017 0.000 1.089 551 L CA 0.451 55.306 54.840 0.026 0.000 0.757 551 L CB -0.912 41.170 42.059 0.038 0.000 0.899 551 L HN -0.177 nan 8.230 nan 0.000 0.434 552 V N 0.000 119.919 119.914 0.008 0.000 2.409 552 V HA 0.000 4.115 4.120 -0.008 0.000 0.244 552 V CA 0.000 62.302 62.300 0.003 0.000 1.235 552 V CB 0.000 31.821 31.823 -0.004 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556