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 3dok_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKXXXSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKNKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX 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 RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAH 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 0.000 177.346 177.300 0.076 0.000 1.155 1 P CA 0.000 63.132 63.100 0.054 0.000 0.800 1 P CB 0.000 31.725 31.700 0.042 0.000 0.726 2 I N -0.482 120.140 120.570 0.088 0.000 3.956 2 I HA 0.165 4.350 4.170 0.024 0.000 0.166 2 I C 0.413 176.601 176.117 0.119 0.000 1.012 2 I CA 0.501 61.870 61.300 0.115 0.000 1.401 2 I CB -0.062 38.012 38.000 0.124 0.000 1.262 2 I HN 0.180 nan 8.210 nan 0.000 0.434 3 S N -0.018 115.754 115.700 0.120 0.000 2.562 3 S HA 0.329 4.814 4.470 0.024 0.000 0.274 3 S C -2.427 172.260 174.600 0.144 0.000 1.160 3 S CA -0.532 57.753 58.200 0.142 0.000 0.933 3 S CB 1.936 65.230 63.200 0.157 0.000 1.100 3 S HN 0.099 nan 8.310 nan 0.000 0.468 4 P HA 0.386 nan 4.420 nan 0.000 0.220 4 P C -0.937 176.539 177.300 0.293 0.000 1.793 4 P CA 0.072 63.266 63.100 0.157 0.000 0.917 4 P CB -0.398 31.337 31.700 0.058 0.000 1.755 5 I N -0.113 120.601 120.570 0.240 0.000 2.354 5 I HA 0.270 4.454 4.170 0.024 0.000 0.292 5 I C 0.765 176.948 176.117 0.110 0.000 0.989 5 I CA -1.231 60.182 61.300 0.189 0.000 1.188 5 I CB 1.441 39.498 38.000 0.094 0.000 1.342 5 I HN -0.071 nan 8.210 nan 0.000 0.457 6 E N 5.216 125.469 120.200 0.088 0.000 2.417 6 E HA 0.057 4.422 4.350 0.024 0.000 0.261 6 E C 0.000 176.624 176.600 0.040 0.000 1.000 6 E CA -0.175 56.264 56.400 0.064 0.000 0.919 6 E CB 0.620 30.352 29.700 0.053 0.000 0.955 6 E HN 0.663 nan 8.360 nan 0.000 0.455 7 T N 0.736 115.320 114.554 0.050 0.000 2.748 7 T HA 0.260 4.624 4.350 0.024 0.000 0.304 7 T C 0.225 174.949 174.700 0.039 0.000 1.041 7 T CA -0.887 61.240 62.100 0.046 0.000 1.033 7 T CB 0.813 69.719 68.868 0.063 0.000 0.995 7 T HN 0.211 nan 8.240 nan 0.000 0.536 8 V N 3.406 123.344 119.914 0.040 0.000 2.483 8 V HA 0.417 4.551 4.120 0.024 0.000 0.295 8 V C -1.932 174.203 176.094 0.068 0.000 1.035 8 V CA -2.078 60.249 62.300 0.044 0.000 0.896 8 V CB 1.501 33.344 31.823 0.034 0.000 0.986 8 V HN 0.876 nan 8.190 nan 0.000 0.447 9 P HA 0.176 nan 4.420 nan 0.000 0.271 9 P C -0.695 176.651 177.300 0.077 0.000 1.380 9 P CA 0.073 63.219 63.100 0.076 0.000 0.992 9 P CB 0.638 32.373 31.700 0.058 0.000 1.230 10 V N 5.401 125.362 119.914 0.079 0.000 2.394 10 V HA 0.307 4.442 4.120 0.024 0.000 0.282 10 V C 0.636 176.790 176.094 0.100 0.000 1.031 10 V CA -0.246 62.051 62.300 -0.005 0.000 0.881 10 V CB 1.415 33.108 31.823 -0.217 0.000 0.982 10 V HN 0.406 nan 8.190 nan 0.000 0.451 11 K N 4.359 124.806 120.400 0.078 0.000 2.340 11 K HA 0.677 5.011 4.320 0.024 0.000 0.244 11 K C -1.132 175.585 176.600 0.196 0.000 0.973 11 K CA -0.908 55.497 56.287 0.197 0.000 0.828 11 K CB 2.487 35.034 32.500 0.079 0.000 1.226 11 K HN 0.399 nan 8.250 nan 0.000 0.437 12 L N 2.063 123.384 121.223 0.164 0.000 2.417 12 L HA 0.223 4.577 4.340 0.024 0.000 0.268 12 L C 0.687 177.552 176.870 -0.007 0.000 1.158 12 L CA -0.310 54.558 54.840 0.047 0.000 0.819 12 L CB 0.543 42.502 42.059 -0.168 0.000 1.112 12 L HN 0.496 nan 8.230 nan 0.000 0.458 13 K N 2.305 122.692 120.400 -0.021 0.000 2.443 13 K HA -0.084 4.251 4.320 0.024 0.000 0.268 13 K C -2.156 174.429 176.600 -0.025 0.000 0.971 13 K CA -0.783 55.482 56.287 -0.036 0.000 0.902 13 K CB -0.107 32.378 32.500 -0.026 0.000 0.950 13 K HN 0.317 nan 8.250 nan 0.000 0.525 14 P HA -0.111 nan 4.420 nan 0.000 0.251 14 P C 0.209 177.508 177.300 -0.002 0.000 1.154 14 P CA 1.330 64.423 63.100 -0.012 0.000 0.805 14 P CB -0.106 31.587 31.700 -0.012 0.000 0.759 15 G N 2.671 111.473 108.800 0.003 0.000 2.216 15 G HA2 -0.366 3.608 3.960 0.024 0.000 0.269 15 G HA3 -0.366 3.608 3.960 0.024 0.000 0.269 15 G C 0.455 175.364 174.900 0.016 0.000 0.981 15 G CA 0.392 45.499 45.100 0.013 0.000 0.658 15 G HN 0.412 nan 8.290 nan 0.000 0.539 16 M N -0.536 119.067 119.600 0.004 0.000 1.878 16 M HA 0.488 4.982 4.480 0.024 0.000 0.236 16 M C 0.446 176.747 176.300 0.001 0.000 1.315 16 M CA 0.265 55.570 55.300 0.008 0.000 0.986 16 M CB 0.289 32.890 32.600 0.002 0.000 1.324 16 M HN 0.203 nan 8.290 nan 0.000 0.474 17 D N -1.034 119.378 120.400 0.020 0.000 2.601 17 D HA 0.442 5.097 4.640 0.024 0.000 0.230 17 D C -0.551 175.770 176.300 0.036 0.000 1.106 17 D CA -0.294 53.742 54.000 0.059 0.000 0.873 17 D CB 1.450 42.358 40.800 0.181 0.000 1.515 17 D HN 0.656 nan 8.370 nan 0.000 0.468 18 G N 2.098 110.864 108.800 -0.057 0.000 2.464 18 G HA2 0.208 4.183 3.960 0.024 0.000 0.231 18 G HA3 0.208 4.183 3.960 0.024 0.000 0.231 18 G C -2.089 172.990 174.900 0.298 0.000 1.267 18 G CA -0.758 44.252 45.100 -0.150 0.000 0.863 18 G HN 0.453 nan 8.290 nan 0.000 0.559 19 P HA 0.152 nan 4.420 nan 0.000 0.268 19 P C -0.533 176.970 177.300 0.338 0.000 1.208 19 P CA 0.125 63.391 63.100 0.276 0.000 0.777 19 P CB 0.832 32.676 31.700 0.240 0.000 0.875 20 K N 0.767 121.300 120.400 0.222 0.000 3.054 20 K HA 0.233 4.567 4.320 0.024 0.000 0.203 20 K C -0.160 176.509 176.600 0.115 0.000 1.126 20 K CA -0.435 55.944 56.287 0.154 0.000 1.023 20 K CB 1.070 33.631 32.500 0.101 0.000 0.722 20 K HN 0.202 nan 8.250 nan 0.000 0.441 21 V N 1.966 121.959 119.914 0.132 0.000 2.686 21 V HA 0.168 4.303 4.120 0.024 0.000 0.295 21 V C -0.019 176.138 176.094 0.104 0.000 1.055 21 V CA -0.398 61.974 62.300 0.121 0.000 1.050 21 V CB 0.667 32.578 31.823 0.147 0.000 0.984 21 V HN 0.439 nan 8.190 nan 0.000 0.482 22 K N 4.762 125.215 120.400 0.087 0.000 2.350 22 K HA 0.246 4.581 4.320 0.024 0.000 0.279 22 K C -0.106 176.544 176.600 0.084 0.000 1.027 22 K CA -0.339 55.986 56.287 0.064 0.000 0.969 22 K CB 0.760 33.280 32.500 0.034 0.000 0.954 22 K HN 0.732 nan 8.250 nan 0.000 0.474 23 Q N 4.256 124.090 119.800 0.057 0.000 2.271 23 Q HA -0.056 4.299 4.340 0.024 0.000 0.273 23 Q C -1.080 174.968 176.000 0.081 0.000 1.051 23 Q CA -0.080 55.755 55.803 0.054 0.000 0.901 23 Q CB 0.382 29.135 28.738 0.024 0.000 1.174 23 Q HN 0.687 nan 8.270 nan 0.000 0.385 24 W N 7.878 129.087 121.300 -0.151 0.000 2.257 24 W HA 0.121 4.795 4.660 0.024 0.000 0.337 24 W C -2.316 174.123 176.519 -0.133 0.000 1.321 24 W CA -1.450 55.815 57.345 -0.134 0.000 1.267 24 W CB 0.545 29.847 29.460 -0.263 0.000 1.187 24 W HN 0.589 nan 8.180 nan 0.000 0.565 25 P HA 0.326 nan 4.420 nan 0.000 0.279 25 P C -1.043 176.344 177.300 0.145 0.000 1.239 25 P CA 0.060 63.186 63.100 0.044 0.000 0.789 25 P CB 1.724 33.396 31.700 -0.046 0.000 0.933 26 L N 0.821 122.086 121.223 0.070 0.000 2.303 26 L HA 0.537 4.892 4.340 0.024 0.000 0.256 26 L C 1.057 177.934 176.870 0.011 0.000 1.034 26 L CA -0.922 53.950 54.840 0.053 0.000 0.832 26 L CB 2.035 44.084 42.059 -0.017 0.000 1.403 26 L HN 0.348 nan 8.230 nan 0.000 0.419 27 T N -2.828 111.726 114.554 -0.001 0.000 2.828 27 T HA 0.110 4.474 4.350 0.024 0.000 0.290 27 T C 0.995 175.677 174.700 -0.030 0.000 1.019 27 T CA 0.104 62.203 62.100 -0.002 0.000 1.031 27 T CB 1.000 69.881 68.868 0.021 0.000 1.001 27 T HN 0.832 nan 8.240 nan 0.000 0.531 28 E N 0.689 120.882 120.200 -0.011 0.000 2.160 28 E HA -0.206 4.158 4.350 0.024 0.000 0.195 28 E C 1.773 178.359 176.600 -0.025 0.000 0.991 28 E CA 1.378 57.769 56.400 -0.014 0.000 0.810 28 E CB -0.173 29.529 29.700 0.004 0.000 0.742 28 E HN 0.874 nan 8.360 nan 0.000 0.466 29 E N 1.619 121.812 120.200 -0.012 0.000 1.999 29 E HA -0.213 4.152 4.350 0.024 0.000 0.194 29 E C 1.990 178.486 176.600 -0.173 0.000 0.995 29 E CA 1.259 57.659 56.400 0.001 0.000 0.825 29 E CB 0.037 29.804 29.700 0.112 0.000 0.777 29 E HN 0.153 nan 8.360 nan 0.000 0.459 30 K N 0.298 120.499 120.400 -0.333 0.000 2.077 30 K HA -0.227 4.107 4.320 0.024 0.000 0.213 30 K C 2.267 178.628 176.600 -0.399 0.000 1.051 30 K CA 2.053 57.940 56.287 -0.667 0.000 0.929 30 K CB -0.427 31.761 32.500 -0.520 0.000 0.715 30 K HN 0.297 nan 8.250 nan 0.000 0.451 31 I N 0.934 121.380 120.570 -0.208 0.000 2.118 31 I HA -0.308 3.876 4.170 0.024 0.000 0.241 31 I C 2.338 178.401 176.117 -0.091 0.000 1.070 31 I CA 1.231 62.460 61.300 -0.118 0.000 1.327 31 I CB -0.248 37.715 38.000 -0.063 0.000 1.034 31 I HN 0.060 nan 8.210 nan 0.000 0.405 32 K N 1.004 121.359 120.400 -0.076 0.000 2.209 32 K HA -0.097 4.237 4.320 0.024 0.000 0.204 32 K C 1.936 178.520 176.600 -0.026 0.000 1.048 32 K CA 1.396 57.665 56.287 -0.030 0.000 0.940 32 K CB -0.371 32.129 32.500 -0.001 0.000 0.729 32 K HN 0.382 nan 8.250 nan 0.000 0.451 33 A N -0.017 122.748 122.820 -0.093 0.000 1.874 33 A HA -0.022 4.312 4.320 0.024 0.000 0.214 33 A C 2.101 179.662 177.584 -0.039 0.000 1.189 33 A CA 0.966 52.975 52.037 -0.048 0.000 0.615 33 A CB -0.536 18.361 19.000 -0.172 0.000 0.830 33 A HN 0.226 nan 8.150 nan 0.000 0.443 34 L N -0.195 120.973 121.223 -0.093 0.000 2.042 34 L HA -0.184 4.170 4.340 0.024 0.000 0.210 34 L C 2.530 179.412 176.870 0.020 0.000 1.076 34 L CA 1.137 55.954 54.840 -0.038 0.000 0.749 34 L CB -0.572 41.458 42.059 -0.048 0.000 0.893 34 L HN 0.248 nan 8.230 nan 0.000 0.432 35 V N -0.245 119.685 119.914 0.026 0.000 2.287 35 V HA -0.316 3.819 4.120 0.024 0.000 0.248 35 V C 2.459 178.585 176.094 0.053 0.000 1.053 35 V CA 2.042 64.382 62.300 0.066 0.000 1.027 35 V CB -0.486 31.364 31.823 0.045 0.000 0.646 35 V HN 0.441 nan 8.190 nan 0.000 0.447 36 E N 0.602 120.821 120.200 0.032 0.000 2.013 36 E HA -0.234 4.130 4.350 0.024 0.000 0.202 36 E C 1.990 178.597 176.600 0.012 0.000 1.018 36 E CA 2.186 58.603 56.400 0.029 0.000 0.834 36 E CB -0.448 29.275 29.700 0.038 0.000 0.770 36 E HN 0.525 nan 8.360 nan 0.000 0.459 37 I N 0.170 120.743 120.570 0.004 0.000 2.087 37 I HA -0.448 3.737 4.170 0.024 0.000 0.240 37 I C 2.530 178.604 176.117 -0.071 0.000 1.054 37 I CA 1.561 62.845 61.300 -0.026 0.000 1.311 37 I CB -0.565 37.422 38.000 -0.023 0.000 1.024 37 I HN 0.344 nan 8.210 nan 0.000 0.402 38 C N 0.386 119.635 119.300 -0.086 0.000 2.410 38 C HA -0.141 4.334 4.460 0.024 0.000 0.281 38 C C 2.961 177.834 174.990 -0.194 0.000 1.318 38 C CA 1.479 60.351 59.018 -0.244 0.000 1.776 38 C CB -1.390 26.154 27.740 -0.327 0.000 1.942 38 C HN 0.568 nan 8.230 nan 0.000 0.508 39 T N 0.651 115.187 114.554 -0.030 0.000 2.821 39 T HA -0.162 4.203 4.350 0.024 0.000 0.267 39 T C 1.699 176.392 174.700 -0.012 0.000 1.046 39 T CA 1.774 63.889 62.100 0.025 0.000 1.139 39 T CB -0.224 68.673 68.868 0.048 0.000 0.871 39 T HN 0.645 nan 8.240 nan 0.000 0.454 40 E N 1.963 122.143 120.200 -0.034 0.000 2.015 40 E HA -0.019 4.345 4.350 0.024 0.000 0.191 40 E C 2.098 178.663 176.600 -0.059 0.000 0.991 40 E CA 1.318 57.696 56.400 -0.038 0.000 0.802 40 E CB -0.586 29.089 29.700 -0.042 0.000 0.759 40 E HN 0.383 nan 8.360 nan 0.000 0.447 41 M N 0.480 120.018 119.600 -0.103 0.000 2.346 41 M HA -0.163 4.331 4.480 0.024 0.000 0.263 41 M C 2.250 178.491 176.300 -0.098 0.000 1.064 41 M CA 1.762 56.991 55.300 -0.118 0.000 1.083 41 M CB -0.338 32.160 32.600 -0.170 0.000 1.399 41 M HN 0.330 nan 8.290 nan 0.000 0.435 42 E N 0.562 120.699 120.200 -0.105 0.000 2.047 42 E HA -0.193 4.171 4.350 0.024 0.000 0.191 42 E C 1.912 178.518 176.600 0.010 0.000 0.987 42 E CA 1.001 57.378 56.400 -0.039 0.000 0.799 42 E CB 0.275 30.003 29.700 0.047 0.000 0.752 42 E HN 0.210 nan 8.360 nan 0.000 0.449 43 K N 0.801 121.205 120.400 0.006 0.000 2.076 43 K HA -0.049 4.285 4.320 0.024 0.000 0.204 43 K C 1.881 178.491 176.600 0.017 0.000 1.051 43 K CA 0.932 57.228 56.287 0.016 0.000 0.949 43 K CB -0.176 32.332 32.500 0.014 0.000 0.726 43 K HN 0.248 nan 8.250 nan 0.000 0.443 44 E N -0.158 120.046 120.200 0.006 0.000 2.448 44 E HA -0.156 4.208 4.350 0.024 0.000 0.203 44 E C 0.764 177.389 176.600 0.042 0.000 1.046 44 E CA 0.708 57.118 56.400 0.017 0.000 0.871 44 E CB -0.133 29.567 29.700 -0.000 0.000 0.790 44 E HN 0.531 nan 8.360 nan 0.000 0.545 45 G N 0.959 109.785 108.800 0.043 0.000 2.176 45 G HA2 -0.356 3.619 3.960 0.024 0.000 0.253 45 G HA3 -0.356 3.619 3.960 0.024 0.000 0.253 45 G C 0.828 175.784 174.900 0.093 0.000 0.979 45 G CA 0.675 45.813 45.100 0.063 0.000 0.641 45 G HN 0.277 nan 8.290 nan 0.000 0.530 46 K N -0.171 120.288 120.400 0.097 0.000 2.057 46 K HA 0.221 4.556 4.320 0.024 0.000 0.206 46 K C 1.598 178.292 176.600 0.157 0.000 1.050 46 K CA 1.525 57.919 56.287 0.179 0.000 0.935 46 K CB 0.010 32.623 32.500 0.189 0.000 0.715 46 K HN 0.811 nan 8.250 nan 0.000 0.439 47 I N -3.176 117.411 120.570 0.027 0.000 2.957 47 I HA 0.421 4.606 4.170 0.024 0.000 0.310 47 I C -1.016 175.125 176.117 0.041 0.000 1.063 47 I CA -0.954 60.327 61.300 -0.033 0.000 1.033 47 I CB 2.517 40.365 38.000 -0.253 0.000 1.230 47 I HN -0.297 nan 8.210 nan 0.000 0.447 48 S N 1.997 117.757 115.700 0.100 0.000 2.594 48 S HA 0.441 4.926 4.470 0.024 0.000 0.296 48 S C -0.988 173.724 174.600 0.188 0.000 1.124 48 S CA -0.826 57.458 58.200 0.140 0.000 1.011 48 S CB 1.601 64.846 63.200 0.074 0.000 1.016 48 S HN 0.521 nan 8.310 nan 0.000 0.485 49 K N 3.244 123.751 120.400 0.177 0.000 2.412 49 K HA 0.345 4.680 4.320 0.024 0.000 0.284 49 K C 0.379 176.898 176.600 -0.135 0.000 1.046 49 K CA 0.144 56.335 56.287 -0.159 0.000 0.999 49 K CB -0.558 31.808 32.500 -0.223 0.000 0.941 49 K HN 0.636 nan 8.250 nan 0.000 0.474 50 I N -1.949 118.508 120.570 -0.189 0.000 3.654 50 I HA 0.816 5.001 4.170 0.024 0.000 0.278 50 I C 0.448 176.474 176.117 -0.151 0.000 1.193 50 I CA -1.300 59.923 61.300 -0.128 0.000 1.087 50 I CB 1.669 39.611 38.000 -0.096 0.000 1.372 50 I HN 0.471 nan 8.210 nan 0.000 0.507 51 G N -0.394 108.339 108.800 -0.112 0.000 3.247 51 G HA2 0.509 4.484 3.960 0.024 0.000 0.199 51 G HA3 0.509 4.484 3.960 0.024 0.000 0.199 51 G C -2.371 172.473 174.900 -0.093 0.000 1.172 51 G CA -0.615 44.421 45.100 -0.108 0.000 0.844 51 G HN 0.441 nan 8.290 nan 0.000 0.619 52 P HA 0.012 nan 4.420 nan 0.000 0.222 52 P C 0.794 178.051 177.300 -0.071 0.000 1.147 52 P CA 0.847 63.904 63.100 -0.073 0.000 0.790 52 P CB 0.314 31.976 31.700 -0.063 0.000 0.780 53 E N 0.658 120.819 120.200 -0.064 0.000 2.888 53 E HA 0.000 4.365 4.350 0.024 0.000 0.271 53 E C -0.464 176.101 176.600 -0.059 0.000 1.527 53 E CA -0.020 56.345 56.400 -0.058 0.000 1.700 53 E CB -1.807 27.867 29.700 -0.044 0.000 1.410 53 E HN -0.019 nan 8.360 nan 0.000 0.445 54 N N 0.874 119.527 118.700 -0.079 0.000 2.655 54 N HA 0.118 4.873 4.740 0.024 0.000 0.277 54 N C -2.454 172.965 175.510 -0.151 0.000 1.177 54 N CA -1.078 51.928 53.050 -0.073 0.000 0.882 54 N CB 1.657 40.137 38.487 -0.012 0.000 1.481 54 N HN -0.016 nan 8.380 nan 0.000 0.547 55 P HA 0.072 nan 4.420 nan 0.000 0.245 55 P C -0.322 176.756 177.300 -0.370 0.000 1.206 55 P CA 0.393 63.247 63.100 -0.410 0.000 0.781 55 P CB 0.187 31.544 31.700 -0.573 0.000 0.994 56 Y N 0.927 121.237 120.300 0.017 0.000 2.304 56 Y HA 0.456 5.020 4.550 0.024 0.000 0.328 56 Y C 1.063 176.998 175.900 0.059 0.000 1.123 56 Y CA -0.436 57.698 58.100 0.057 0.000 1.218 56 Y CB 0.485 38.988 38.460 0.073 0.000 1.207 56 Y HN -0.087 nan 8.280 nan 0.000 0.495 57 N N 0.581 119.434 118.700 0.256 0.000 2.431 57 N HA 0.302 5.056 4.740 0.024 0.000 0.275 57 N C -1.850 173.766 175.510 0.176 0.000 1.091 57 N CA -0.300 52.859 53.050 0.181 0.000 0.922 57 N CB 2.025 40.576 38.487 0.107 0.000 1.666 57 N HN 0.607 nan 8.380 nan 0.000 0.484 58 T N 3.146 117.798 114.554 0.164 0.000 2.841 58 T HA 0.487 4.852 4.350 0.024 0.000 0.283 58 T C -2.670 172.062 174.700 0.054 0.000 1.000 58 T CA -1.074 61.073 62.100 0.078 0.000 0.977 58 T CB 2.114 70.931 68.868 -0.085 0.000 0.979 58 T HN 0.337 nan 8.240 nan 0.000 0.446 59 P HA 0.141 nan 4.420 nan 0.000 0.270 59 P C -0.258 176.915 177.300 -0.211 0.000 1.242 59 P CA -0.167 62.899 63.100 -0.055 0.000 0.768 59 P CB 0.716 32.469 31.700 0.088 0.000 0.820 60 V N 5.845 125.578 119.914 -0.301 0.000 2.644 60 V HA 0.477 4.612 4.120 0.024 0.000 0.295 60 V C -0.698 175.020 176.094 -0.626 0.000 1.053 60 V CA -0.249 61.860 62.300 -0.318 0.000 0.987 60 V CB 0.119 31.853 31.823 -0.148 0.000 1.006 60 V HN 0.303 nan 8.190 nan 0.000 0.472 61 F N 3.529 123.376 119.950 -0.173 0.000 2.611 61 F HA 0.819 5.360 4.527 0.025 0.000 0.324 61 F C 0.263 175.969 175.800 -0.157 0.000 1.061 61 F CA -0.438 57.442 58.000 -0.199 0.000 0.954 61 F CB 2.156 41.001 39.000 -0.258 0.000 1.301 61 F HN 0.607 nan 8.300 nan 0.000 0.482 62 A N 2.609 125.439 122.820 0.017 0.000 2.310 62 A HA 0.772 5.107 4.320 0.024 0.000 0.304 62 A C -1.218 176.419 177.584 0.088 0.000 1.231 62 A CA -0.442 51.526 52.037 -0.114 0.000 0.799 62 A CB 0.190 18.891 19.000 -0.498 0.000 1.162 62 A HN 0.668 nan 8.150 nan 0.000 0.486 63 I N 0.573 121.323 120.570 0.299 0.000 2.740 63 I HA 0.832 5.017 4.170 0.024 0.000 0.303 63 I C -0.289 176.131 176.117 0.506 0.000 1.044 63 I CA -0.786 60.765 61.300 0.418 0.000 1.064 63 I CB 1.858 39.966 38.000 0.179 0.000 1.249 63 I HN 0.489 nan 8.210 nan 0.000 0.433 69 T N 1.654 116.154 114.554 -0.091 0.000 8.413 69 T HA -0.269 4.095 4.350 0.024 0.000 0.334 69 T C 0.203 174.765 174.700 -0.231 0.000 1.928 69 T CA 2.180 64.183 62.100 -0.162 0.000 2.815 69 T CB -1.124 67.653 68.868 -0.153 0.000 2.611 69 T HN 0.713 nan 8.240 nan 0.000 1.239 70 K N 0.098 120.418 120.400 -0.133 0.000 2.295 70 K HA 0.195 4.530 4.320 0.024 0.000 0.270 70 K C -0.211 176.370 176.600 -0.033 0.000 1.011 70 K CA -0.595 55.639 56.287 -0.088 0.000 0.953 70 K CB 0.517 33.012 32.500 -0.008 0.000 0.956 70 K HN 0.388 nan 8.250 nan 0.000 0.477 71 W N 4.423 125.727 121.300 0.007 0.000 2.381 71 W HA 0.079 4.753 4.660 0.024 0.000 0.321 71 W C 0.506 177.028 176.519 0.005 0.000 1.407 71 W CA -0.643 56.707 57.345 0.009 0.000 1.274 71 W CB 0.591 30.059 29.460 0.013 0.000 1.310 71 W HN 0.495 nan 8.180 nan 0.000 0.551 72 R N 2.655 123.378 120.500 0.371 0.000 2.943 72 R HA 0.718 5.073 4.340 0.024 0.000 0.246 72 R C -0.739 175.654 176.300 0.153 0.000 1.201 72 R CA -1.385 54.829 56.100 0.191 0.000 1.056 72 R CB 1.249 31.630 30.300 0.135 0.000 1.243 72 R HN 0.328 nan 8.270 nan 0.000 0.498 73 K N -0.066 120.387 120.400 0.088 0.000 2.400 73 K HA 0.680 5.014 4.320 0.024 0.000 0.246 73 K C -1.515 175.127 176.600 0.070 0.000 0.995 73 K CA -0.953 55.364 56.287 0.050 0.000 0.840 73 K CB 1.796 34.289 32.500 -0.011 0.000 1.293 73 K HN 0.387 nan 8.250 nan 0.000 0.445 74 L N 1.460 122.718 121.223 0.058 0.000 2.528 74 L HA 0.416 4.770 4.340 0.024 0.000 0.267 74 L C -1.905 175.001 176.870 0.059 0.000 0.961 74 L CA -0.486 54.401 54.840 0.078 0.000 0.866 74 L CB 2.267 44.371 42.059 0.075 0.000 1.248 74 L HN 0.594 nan 8.230 nan 0.000 0.404 75 V N 3.398 123.307 119.914 -0.007 0.000 2.407 75 V HA 0.399 4.534 4.120 0.024 0.000 0.278 75 V C -0.458 175.557 176.094 -0.131 0.000 1.037 75 V CA -0.472 61.719 62.300 -0.182 0.000 0.900 75 V CB 1.511 33.097 31.823 -0.395 0.000 0.983 75 V HN 0.679 nan 8.190 nan 0.000 0.459 76 D N 3.264 123.613 120.400 -0.085 0.000 2.456 76 D HA 0.329 4.984 4.640 0.024 0.000 0.219 76 D C 0.333 176.610 176.300 -0.037 0.000 1.126 76 D CA -0.168 53.836 54.000 0.007 0.000 0.890 76 D CB 0.586 41.444 40.800 0.098 0.000 1.025 76 D HN 0.436 nan 8.370 nan 0.000 0.511 77 F N 1.886 121.919 119.950 0.138 0.000 2.797 77 F HA 0.150 4.692 4.527 0.024 0.000 0.302 77 F C 2.232 178.132 175.800 0.168 0.000 1.130 77 F CA -0.261 57.844 58.000 0.176 0.000 1.387 77 F CB 0.197 39.328 39.000 0.218 0.000 1.107 77 F HN 0.217 nan 8.300 nan 0.000 0.577 78 R N 0.458 121.116 120.500 0.263 0.000 2.227 78 R HA -0.266 4.089 4.340 0.024 0.000 0.259 78 R C 2.014 178.430 176.300 0.193 0.000 1.139 78 R CA 2.015 58.225 56.100 0.183 0.000 0.969 78 R CB -0.423 29.949 30.300 0.121 0.000 0.903 78 R HN 0.293 nan 8.270 nan 0.000 0.452 79 E N 0.524 120.847 120.200 0.206 0.000 1.999 79 E HA -0.173 4.192 4.350 0.024 0.000 0.194 79 E C 1.990 178.729 176.600 0.232 0.000 0.995 79 E CA 0.825 57.340 56.400 0.192 0.000 0.825 79 E CB -0.621 29.189 29.700 0.184 0.000 0.777 79 E HN 0.123 nan 8.360 nan 0.000 0.459 80 L N 2.350 123.763 121.223 0.316 0.000 2.123 80 L HA -0.275 4.080 4.340 0.024 0.000 0.217 80 L C 1.556 178.655 176.870 0.381 0.000 1.081 80 L CA 1.832 56.892 54.840 0.368 0.000 0.772 80 L CB -0.766 41.623 42.059 0.550 0.000 0.890 80 L HN 0.071 nan 8.230 nan 0.000 0.437 81 N N 0.722 119.633 118.700 0.352 0.000 2.080 81 N HA -0.196 4.559 4.740 0.024 0.000 0.189 81 N C 1.554 177.141 175.510 0.129 0.000 1.036 81 N CA 1.891 55.072 53.050 0.218 0.000 0.846 81 N CB -0.458 38.111 38.487 0.138 0.000 1.015 81 N HN 0.640 nan 8.380 nan 0.000 0.423 82 K N 0.633 121.103 120.400 0.117 0.000 2.585 82 K HA 0.031 4.366 4.320 0.024 0.000 0.194 82 K C 1.082 177.723 176.600 0.069 0.000 1.037 82 K CA 1.006 57.337 56.287 0.074 0.000 0.964 82 K CB 0.091 32.633 32.500 0.071 0.000 0.787 82 K HN 0.078 nan 8.250 nan 0.000 0.488 83 R N 0.186 120.745 120.500 0.098 0.000 2.509 83 R HA 0.147 4.501 4.340 0.024 0.000 0.297 83 R C -0.324 176.023 176.300 0.078 0.000 0.951 83 R CA -0.127 56.014 56.100 0.067 0.000 1.103 83 R CB 1.090 31.424 30.300 0.057 0.000 1.283 83 R HN 0.067 nan 8.270 nan 0.000 0.534 84 T N 1.530 116.161 114.554 0.129 0.000 2.927 84 T HA 0.115 4.480 4.350 0.024 0.000 0.281 84 T C 0.158 174.828 174.700 -0.049 0.000 0.998 84 T CA -0.584 61.611 62.100 0.160 0.000 1.019 84 T CB 1.599 70.634 68.868 0.278 0.000 1.061 84 T HN 0.184 nan 8.240 nan 0.000 0.518 85 Q N 1.039 120.732 119.800 -0.178 0.000 2.651 85 Q HA 0.206 4.561 4.340 0.024 0.000 0.224 85 Q C -1.039 174.619 176.000 -0.570 0.000 1.094 85 Q CA -0.291 55.301 55.803 -0.353 0.000 1.018 85 Q CB 0.249 28.727 28.738 -0.433 0.000 1.292 85 Q HN 0.421 nan 8.270 nan 0.000 0.588 86 D N -0.104 120.000 120.400 -0.493 0.000 2.175 86 D HA 0.416 5.071 4.640 0.024 0.000 0.248 86 D C -1.261 174.690 176.300 -0.581 0.000 1.047 86 D CA -0.175 53.584 54.000 -0.402 0.000 0.883 86 D CB 0.700 41.402 40.800 -0.164 0.000 1.180 86 D HN 0.321 nan 8.370 nan 0.000 0.438 87 F N 0.275 120.173 119.950 -0.088 0.000 2.541 87 F HA 0.351 4.893 4.527 0.024 0.000 0.331 87 F C 0.026 175.876 175.800 0.083 0.000 1.057 87 F CA -1.192 56.781 58.000 -0.044 0.000 0.975 87 F CB 0.880 39.792 39.000 -0.146 0.000 1.246 87 F HN 0.271 nan 8.300 nan 0.000 0.484 88 W N 3.486 124.839 121.300 0.087 0.000 2.469 88 W HA 0.155 4.830 4.660 0.024 0.000 0.321 88 W C -0.069 176.455 176.519 0.009 0.000 1.415 88 W CA -0.960 56.395 57.345 0.017 0.000 1.308 88 W CB 0.514 29.973 29.460 -0.001 0.000 1.368 88 W HN 0.650 nan 8.180 nan 0.000 0.546 89 E N 3.007 122.896 120.200 -0.519 0.000 2.900 89 E HA 0.001 4.365 4.350 0.024 0.000 0.259 89 E C -0.143 176.147 176.600 -0.518 0.000 0.918 89 E CA -0.033 56.045 56.400 -0.537 0.000 0.960 89 E CB 0.182 29.482 29.700 -0.667 0.000 0.908 89 E HN 0.285 nan 8.360 nan 0.000 0.511 90 V N 2.069 121.796 119.914 -0.311 0.000 2.775 90 V HA 0.058 4.192 4.120 0.024 0.000 0.299 90 V C 0.546 176.491 176.094 -0.249 0.000 1.062 90 V CA -0.485 61.666 62.300 -0.247 0.000 1.063 90 V CB 1.225 32.930 31.823 -0.197 0.000 0.994 90 V HN 0.974 nan 8.190 nan 0.000 0.483 91 Q N 2.399 122.082 119.800 -0.196 0.000 3.359 91 Q HA -0.143 4.212 4.340 0.024 0.000 0.378 91 Q C -0.041 175.866 176.000 -0.154 0.000 1.043 91 Q CA 0.823 56.534 55.803 -0.153 0.000 1.248 91 Q CB 0.060 28.735 28.738 -0.106 0.000 0.987 91 Q HN 0.922 nan 8.270 nan 0.000 0.436 92 L N 3.921 125.066 121.223 -0.131 0.000 2.556 92 L HA 0.336 4.690 4.340 0.024 0.000 0.226 92 L C 0.869 177.719 176.870 -0.034 0.000 1.089 92 L CA 0.721 55.501 54.840 -0.100 0.000 0.864 92 L CB 0.551 42.537 42.059 -0.120 0.000 1.067 92 L HN 0.725 nan 8.230 nan 0.000 0.477 93 G N 1.261 110.054 108.800 -0.012 0.000 2.325 93 G HA2 0.465 4.440 3.960 0.024 0.000 0.298 93 G HA3 0.465 4.440 3.960 0.024 0.000 0.298 93 G C -0.316 174.652 174.900 0.113 0.000 1.134 93 G CA -0.380 44.739 45.100 0.033 0.000 0.876 93 G HN 0.157 nan 8.290 nan 0.000 0.452 94 I N 1.106 121.767 120.570 0.151 0.000 2.392 94 I HA 0.498 4.683 4.170 0.024 0.000 0.295 94 I C -2.283 173.969 176.117 0.225 0.000 0.985 94 I CA -2.478 58.980 61.300 0.263 0.000 1.221 94 I CB 1.630 39.739 38.000 0.182 0.000 1.366 94 I HN 0.171 nan 8.210 nan 0.000 0.467 95 P HA 0.020 nan 4.420 nan 0.000 0.263 95 P C -1.070 176.394 177.300 0.273 0.000 1.175 95 P CA 0.525 63.776 63.100 0.251 0.000 0.761 95 P CB 0.141 31.984 31.700 0.239 0.000 0.794 96 H N 4.452 123.520 119.070 -0.003 0.000 2.519 96 H HA 0.202 4.772 4.556 0.025 0.000 0.316 96 H C -1.322 173.894 175.328 -0.188 0.000 1.065 96 H CA -1.935 54.051 56.048 -0.104 0.000 1.264 96 H CB 1.122 30.752 29.762 -0.220 0.000 1.413 96 H HN 0.282 nan 8.280 nan 0.000 0.465 97 P HA -0.364 nan 4.420 nan 0.000 0.222 97 P C 1.112 178.393 177.300 -0.032 0.000 1.157 97 P CA 2.250 65.160 63.100 -0.317 0.000 0.905 97 P CB -0.063 31.172 31.700 -0.774 0.000 0.792 98 A N -0.464 122.370 122.820 0.023 0.000 2.194 98 A HA -0.066 4.268 4.320 0.024 0.000 0.220 98 A C 2.244 180.059 177.584 0.386 0.000 1.162 98 A CA 1.789 54.001 52.037 0.292 0.000 0.674 98 A CB -1.543 17.662 19.000 0.341 0.000 0.789 98 A HN 0.395 nan 8.150 nan 0.000 0.470 99 G N -1.153 107.715 108.800 0.114 0.000 3.337 99 G HA2 0.443 4.417 3.960 0.024 0.000 0.246 99 G HA3 0.443 4.417 3.960 0.024 0.000 0.246 99 G C 0.150 175.225 174.900 0.293 0.000 1.131 99 G CA -0.369 44.742 45.100 0.018 0.000 0.773 99 G HN 0.348 nan 8.290 nan 0.000 0.544 100 L N 0.960 122.418 121.223 0.392 0.000 2.276 100 L HA 0.374 4.729 4.340 0.024 0.000 0.286 100 L C 0.106 177.215 176.870 0.399 0.000 1.061 100 L CA -0.641 54.425 54.840 0.377 0.000 0.807 100 L CB 1.621 43.833 42.059 0.255 0.000 1.177 100 L HN -0.091 nan 8.230 nan 0.000 0.429 101 K N 3.133 123.713 120.400 0.301 0.000 2.339 101 K HA 0.130 4.465 4.320 0.024 0.000 0.286 101 K C -0.112 176.514 176.600 0.044 0.000 1.050 101 K CA -0.472 55.945 56.287 0.217 0.000 0.956 101 K CB 0.816 33.417 32.500 0.168 0.000 0.990 101 K HN 0.346 nan 8.250 nan 0.000 0.475 102 K N 3.369 123.797 120.400 0.047 0.000 2.466 102 K HA -0.088 4.247 4.320 0.024 0.000 0.278 102 K C -0.439 176.100 176.600 -0.102 0.000 1.048 102 K CA 0.472 56.702 56.287 -0.095 0.000 1.088 102 K CB 0.267 32.791 32.500 0.039 0.000 0.884 102 K HN 0.472 nan 8.250 nan 0.000 0.478 103 N N 3.639 122.236 118.700 -0.171 0.000 2.362 103 N HA 0.136 4.891 4.740 0.024 0.000 0.299 103 N C 0.022 175.455 175.510 -0.130 0.000 1.170 103 N CA -0.575 52.398 53.050 -0.128 0.000 0.825 103 N CB 1.729 40.127 38.487 -0.148 0.000 1.299 103 N HN 0.500 nan 8.380 nan 0.000 0.502 104 K N -0.055 120.281 120.400 -0.107 0.000 2.155 104 K HA 0.096 4.430 4.320 0.024 0.000 0.203 104 K C -0.013 176.488 176.600 -0.166 0.000 1.052 104 K CA 0.866 57.089 56.287 -0.107 0.000 0.948 104 K CB 0.186 32.640 32.500 -0.077 0.000 0.728 104 K HN 0.292 nan 8.250 nan 0.000 0.448 105 S N -0.413 115.126 115.700 -0.269 0.000 2.536 105 S HA 0.452 4.937 4.470 0.024 0.000 0.271 105 S C -1.415 172.940 174.600 -0.407 0.000 1.134 105 S CA -0.822 57.123 58.200 -0.425 0.000 0.897 105 S CB 2.527 65.234 63.200 -0.820 0.000 1.094 105 S HN -0.155 nan 8.310 nan 0.000 0.473 106 V N 2.169 121.963 119.914 -0.199 0.000 2.841 106 V HA 0.683 4.817 4.120 0.024 0.000 0.310 106 V C -0.599 175.543 176.094 0.080 0.000 1.090 106 V CA -0.458 61.805 62.300 -0.062 0.000 0.930 106 V CB 2.566 34.325 31.823 -0.107 0.000 1.014 106 V HN 0.927 nan 8.190 nan 0.000 0.425 107 T N 3.193 117.817 114.554 0.117 0.000 2.863 107 T HA 0.627 4.992 4.350 0.024 0.000 0.285 107 T C -0.671 174.026 174.700 -0.006 0.000 1.009 107 T CA -0.495 61.683 62.100 0.131 0.000 0.989 107 T CB 1.803 70.791 68.868 0.199 0.000 1.004 107 T HN 0.800 nan 8.240 nan 0.000 0.455 108 V N 1.606 121.503 119.914 -0.028 0.000 2.417 108 V HA 0.837 4.971 4.120 0.024 0.000 0.291 108 V C -1.400 174.701 176.094 0.011 0.000 1.024 108 V CA -0.948 61.337 62.300 -0.026 0.000 0.861 108 V CB 0.855 32.635 31.823 -0.071 0.000 0.985 108 V HN 0.647 nan 8.190 nan 0.000 0.436 109 L N 6.329 127.524 121.223 -0.047 0.000 2.345 109 L HA 0.492 4.847 4.340 0.024 0.000 0.274 109 L C -0.062 176.781 176.870 -0.045 0.000 0.999 109 L CA -0.328 54.496 54.840 -0.027 0.000 0.849 109 L CB 1.583 43.615 42.059 -0.046 0.000 1.220 109 L HN 0.871 nan 8.230 nan 0.000 0.422 110 D N 2.709 123.115 120.400 0.009 0.000 2.312 110 D HA 0.062 4.716 4.640 0.024 0.000 0.252 110 D C 1.182 177.495 176.300 0.021 0.000 1.150 110 D CA -0.493 53.513 54.000 0.010 0.000 0.870 110 D CB 2.506 43.330 40.800 0.041 0.000 1.153 110 D HN 0.381 nan 8.370 nan 0.000 0.457 111 V N 0.780 120.707 119.914 0.021 0.000 3.383 111 V HA 0.147 4.282 4.120 0.024 0.000 0.272 111 V C 1.362 177.493 176.094 0.062 0.000 1.181 111 V CA 0.931 63.272 62.300 0.069 0.000 1.171 111 V CB -1.453 30.485 31.823 0.192 0.000 0.800 111 V HN 1.021 nan 8.190 nan 0.000 0.515 112 G N 1.318 110.131 108.800 0.021 0.000 2.561 112 G HA2 -0.349 3.626 3.960 0.024 0.000 0.289 112 G HA3 -0.349 3.626 3.960 0.024 0.000 0.289 112 G C -0.025 174.871 174.900 -0.008 0.000 1.169 112 G CA 0.375 45.489 45.100 0.023 0.000 0.980 112 G HN 0.571 nan 8.290 nan 0.000 0.550 113 D N 2.744 123.173 120.400 0.048 0.000 2.906 113 D HA 0.365 5.020 4.640 0.024 0.000 0.237 113 D C 1.752 178.119 176.300 0.111 0.000 1.201 113 D CA 1.322 55.377 54.000 0.091 0.000 0.998 113 D CB -0.568 40.303 40.800 0.118 0.000 1.183 113 D HN 0.861 nan 8.370 nan 0.000 0.436 114 A N 0.644 123.426 122.820 -0.063 0.000 2.481 114 A HA -0.305 4.030 4.320 0.024 0.000 0.204 114 A C 1.737 179.377 177.584 0.093 0.000 1.187 114 A CA 1.376 53.279 52.037 -0.224 0.000 0.928 114 A CB -1.332 17.042 19.000 -1.043 0.000 0.788 114 A HN 0.479 nan 8.150 nan 0.000 0.548 115 Y N -1.592 118.580 120.300 -0.214 0.000 1.940 115 Y HA -0.342 4.222 4.550 0.024 0.000 0.250 115 Y C 2.355 178.266 175.900 0.019 0.000 1.132 115 Y CA 1.442 59.480 58.100 -0.103 0.000 1.079 115 Y CB -0.942 37.304 38.460 -0.355 0.000 0.940 115 Y HN 0.377 nan 8.280 nan 0.000 0.490 116 F N -0.186 119.904 119.950 0.234 0.000 2.229 116 F HA -0.322 4.220 4.527 0.024 0.000 0.300 116 F C 2.601 178.508 175.800 0.177 0.000 1.043 116 F CA 1.750 59.861 58.000 0.186 0.000 1.339 116 F CB -0.809 38.281 39.000 0.149 0.000 1.076 116 F HN 0.004 nan 8.300 nan 0.000 0.518 117 S N -0.926 114.984 115.700 0.351 0.000 2.496 117 S HA 0.080 4.565 4.470 0.024 0.000 0.224 117 S C 0.596 175.334 174.600 0.231 0.000 0.996 117 S CA 0.001 58.366 58.200 0.275 0.000 0.927 117 S CB -0.098 63.266 63.200 0.273 0.000 0.774 117 S HN -0.072 nan 8.310 nan 0.000 0.524 118 V N 3.206 123.264 119.914 0.240 0.000 2.483 118 V HA 0.434 4.568 4.120 0.024 0.000 0.295 118 V C -2.461 173.711 176.094 0.129 0.000 1.035 118 V CA -2.288 60.108 62.300 0.159 0.000 0.896 118 V CB 1.386 33.293 31.823 0.141 0.000 0.986 118 V HN 0.150 nan 8.190 nan 0.000 0.447 119 P HA 0.041 nan 4.420 nan 0.000 0.265 119 P C -0.465 176.880 177.300 0.075 0.000 1.187 119 P CA 0.233 63.390 63.100 0.095 0.000 0.766 119 P CB 0.474 32.225 31.700 0.085 0.000 0.820 120 L N 2.664 123.932 121.223 0.074 0.000 2.360 120 L HA 0.287 4.642 4.340 0.024 0.000 0.271 120 L C 0.472 177.387 176.870 0.075 0.000 1.057 120 L CA -0.651 54.216 54.840 0.046 0.000 0.803 120 L CB 1.265 43.337 42.059 0.021 0.000 1.207 120 L HN 0.344 nan 8.230 nan 0.000 0.445 121 D N 1.571 122.024 120.400 0.089 0.000 2.412 121 D HA -0.068 4.587 4.640 0.024 0.000 0.257 121 D C 1.335 177.722 176.300 0.145 0.000 1.217 121 D CA -0.069 54.003 54.000 0.121 0.000 0.897 121 D CB 0.899 41.789 40.800 0.150 0.000 1.132 121 D HN 0.442 nan 8.370 nan 0.000 0.493 122 E N 2.804 123.069 120.200 0.108 0.000 2.187 122 E HA -0.287 4.078 4.350 0.024 0.000 0.199 122 E C 0.927 177.577 176.600 0.083 0.000 1.004 122 E CA 1.224 57.676 56.400 0.087 0.000 0.813 122 E CB -0.284 29.457 29.700 0.068 0.000 0.736 122 E HN 0.589 nan 8.360 nan 0.000 0.468 123 D N 0.336 120.806 120.400 0.116 0.000 2.087 123 D HA -0.123 4.532 4.640 0.024 0.000 0.192 123 D C 1.591 177.951 176.300 0.101 0.000 0.993 123 D CA 1.076 55.143 54.000 0.110 0.000 0.828 123 D CB -0.557 40.343 40.800 0.167 0.000 0.968 123 D HN 0.183 nan 8.370 nan 0.000 0.448 124 F N 1.441 121.431 119.950 0.066 0.000 2.307 124 F HA -0.107 4.435 4.527 0.025 0.000 0.301 124 F C 2.075 177.861 175.800 -0.024 0.000 1.076 124 F CA 1.007 59.082 58.000 0.126 0.000 1.383 124 F CB 0.088 39.175 39.000 0.144 0.000 1.055 124 F HN -0.115 nan 8.300 nan 0.000 0.526 125 R N 0.737 121.266 120.500 0.048 0.000 2.119 125 R HA -0.258 4.096 4.340 0.024 0.000 0.246 125 R C 2.139 178.366 176.300 -0.123 0.000 1.146 125 R CA 2.088 58.187 56.100 -0.002 0.000 0.962 125 R CB -0.736 29.586 30.300 0.037 0.000 0.863 125 R HN 0.407 nan 8.270 nan 0.000 0.442 126 K N 0.100 120.314 120.400 -0.310 0.000 2.089 126 K HA -0.214 4.120 4.320 0.024 0.000 0.210 126 K C 1.719 178.082 176.600 -0.395 0.000 1.048 126 K CA 1.943 58.011 56.287 -0.365 0.000 0.926 126 K CB -0.675 31.518 32.500 -0.511 0.000 0.714 126 K HN 0.206 nan 8.250 nan 0.000 0.448 127 Y N 2.463 122.519 120.300 -0.408 0.000 2.403 127 Y HA -0.128 4.436 4.550 0.024 0.000 0.291 127 Y C 2.561 178.414 175.900 -0.078 0.000 1.143 127 Y CA 1.367 59.181 58.100 -0.475 0.000 1.257 127 Y CB -0.980 36.975 38.460 -0.842 0.000 0.984 127 Y HN 0.364 nan 8.280 nan 0.000 0.550 128 T N -2.421 112.219 114.554 0.143 0.000 3.129 128 T HA 0.429 4.794 4.350 0.024 0.000 0.251 128 T C 0.867 175.869 174.700 0.504 0.000 1.117 128 T CA 0.076 62.446 62.100 0.450 0.000 1.034 128 T CB -0.588 68.536 68.868 0.425 0.000 0.968 128 T HN 0.219 nan 8.240 nan 0.000 0.526 129 A N 1.760 124.747 122.820 0.279 0.000 2.520 129 A HA 0.548 4.883 4.320 0.024 0.000 0.245 129 A C 0.028 177.745 177.584 0.222 0.000 1.072 129 A CA -0.599 51.539 52.037 0.169 0.000 0.761 129 A CB -0.480 18.562 19.000 0.069 0.000 1.004 129 A HN 0.695 nan 8.150 nan 0.000 0.499 130 F N -0.089 119.914 119.950 0.089 0.000 2.740 130 F HA 0.921 5.462 4.527 0.025 0.000 0.357 130 F C -0.080 175.741 175.800 0.036 0.000 1.141 130 F CA -0.933 57.090 58.000 0.037 0.000 1.044 130 F CB 1.375 40.373 39.000 -0.004 0.000 1.430 130 F HN 0.336 nan 8.300 nan 0.000 0.518 131 T N 1.481 116.126 114.554 0.152 0.000 2.952 131 T HA 0.457 4.822 4.350 0.024 0.000 0.305 131 T C -0.860 173.901 174.700 0.102 0.000 1.064 131 T CA -0.452 61.660 62.100 0.021 0.000 1.008 131 T CB 1.582 70.440 68.868 -0.018 0.000 1.078 131 T HN 0.550 nan 8.240 nan 0.000 0.459 132 I N 5.703 126.316 120.570 0.071 0.000 2.308 132 I HA 0.234 4.419 4.170 0.024 0.000 0.293 132 I C -1.710 174.412 176.117 0.007 0.000 1.078 132 I CA -2.179 59.164 61.300 0.071 0.000 1.292 132 I CB 1.009 39.073 38.000 0.107 0.000 1.423 132 I HN 0.325 nan 8.210 nan 0.000 0.493 133 P HA -0.054 nan 4.420 nan 0.000 0.269 133 P C -0.219 177.069 177.300 -0.020 0.000 1.211 133 P CA 0.031 63.122 63.100 -0.016 0.000 0.781 133 P CB 0.903 32.594 31.700 -0.015 0.000 0.877 134 S N 0.225 115.912 115.700 -0.022 0.000 2.713 134 S HA 0.373 4.858 4.470 0.024 0.000 0.283 134 S C 0.196 174.785 174.600 -0.018 0.000 1.161 134 S CA -0.731 57.455 58.200 -0.022 0.000 0.999 134 S CB -0.029 63.156 63.200 -0.025 0.000 1.039 134 S HN 0.201 nan 8.310 nan 0.000 0.548 135 I N 4.209 124.769 120.570 -0.016 0.000 2.907 135 I HA -0.032 4.153 4.170 0.024 0.000 0.285 135 I C 1.165 177.276 176.117 -0.010 0.000 1.189 135 I CA 0.843 62.136 61.300 -0.011 0.000 1.376 135 I CB -1.240 36.755 38.000 -0.008 0.000 1.420 135 I HN 0.656 nan 8.210 nan 0.000 0.544 136 N N 6.082 124.777 118.700 -0.008 0.000 2.629 136 N HA -0.272 4.482 4.740 0.024 0.000 0.278 136 N C 0.351 175.853 175.510 -0.013 0.000 1.102 136 N CA 0.504 53.550 53.050 -0.007 0.000 0.759 136 N CB -0.520 37.965 38.487 -0.003 0.000 0.911 136 N HN 0.775 nan 8.380 nan 0.000 0.553 137 N N -0.432 118.258 118.700 -0.017 0.000 2.678 137 N HA -0.238 4.517 4.740 0.024 0.000 0.249 137 N C -0.771 174.726 175.510 -0.022 0.000 1.119 137 N CA 1.978 55.015 53.050 -0.022 0.000 0.718 137 N CB -0.503 37.966 38.487 -0.029 0.000 1.060 137 N HN 0.796 nan 8.380 nan 0.000 0.552 138 E N -1.578 118.610 120.200 -0.020 0.000 2.248 138 E HA 0.488 4.852 4.350 0.024 0.000 0.272 138 E C 0.727 177.313 176.600 -0.023 0.000 1.008 138 E CA -0.591 55.797 56.400 -0.020 0.000 0.856 138 E CB 0.411 30.101 29.700 -0.017 0.000 1.120 138 E HN 0.256 nan 8.360 nan 0.000 0.397 139 T N -0.610 113.929 114.554 -0.025 0.000 2.672 139 T HA -0.052 4.313 4.350 0.024 0.000 0.367 139 T C -1.880 172.800 174.700 -0.033 0.000 1.064 139 T CA -0.889 61.194 62.100 -0.029 0.000 1.113 139 T CB -0.968 67.884 68.868 -0.028 0.000 1.036 139 T HN 0.463 nan 8.240 nan 0.000 0.538 140 P HA -0.074 nan 4.420 nan 0.000 0.220 140 P C 0.363 177.629 177.300 -0.055 0.000 1.007 140 P CA 1.437 64.507 63.100 -0.050 0.000 0.829 140 P CB -0.790 30.879 31.700 -0.051 0.000 0.752 141 G N 2.889 111.652 108.800 -0.061 0.000 2.705 141 G HA2 0.611 4.586 3.960 0.024 0.000 0.299 141 G HA3 0.611 4.586 3.960 0.024 0.000 0.299 141 G C -0.365 174.472 174.900 -0.106 0.000 1.315 141 G CA -0.814 44.246 45.100 -0.066 0.000 1.045 141 G HN 0.377 nan 8.290 nan 0.000 0.517 142 I N 0.075 120.574 120.570 -0.117 0.000 2.618 142 I HA 0.275 4.459 4.170 0.024 0.000 0.284 142 I C 0.592 176.529 176.117 -0.300 0.000 1.146 142 I CA 0.183 61.346 61.300 -0.228 0.000 1.425 142 I CB 0.298 38.186 38.000 -0.187 0.000 1.383 142 I HN 0.316 nan 8.210 nan 0.000 0.562 143 R N 5.317 125.539 120.500 -0.463 0.000 2.534 143 R HA 0.625 4.979 4.340 0.024 0.000 0.301 143 R C -1.445 174.478 176.300 -0.627 0.000 0.961 143 R CA -0.568 55.264 56.100 -0.446 0.000 0.871 143 R CB 1.906 32.036 30.300 -0.283 0.000 1.170 143 R HN 0.498 nan 8.270 nan 0.000 0.446 144 Y N 0.261 120.188 120.300 -0.622 0.000 2.669 144 Y HA 0.330 4.894 4.550 0.024 0.000 0.335 144 Y C -0.312 175.250 175.900 -0.564 0.000 1.116 144 Y CA -0.900 56.841 58.100 -0.598 0.000 1.081 144 Y CB 2.100 40.160 38.460 -0.668 0.000 1.297 144 Y HN 0.468 nan 8.280 nan 0.000 0.484 145 Q N -0.599 119.162 119.800 -0.065 0.000 2.462 145 Q HA 0.514 4.868 4.340 0.024 0.000 0.285 145 Q C -2.264 173.810 176.000 0.123 0.000 1.035 145 Q CA -1.133 54.714 55.803 0.073 0.000 0.799 145 Q CB 2.074 30.848 28.738 0.059 0.000 1.452 145 Q HN 0.620 nan 8.270 nan 0.000 0.404 146 Y N 1.397 121.835 120.300 0.230 0.000 2.316 146 Y HA 0.257 4.821 4.550 0.025 0.000 0.331 146 Y C 0.828 176.789 175.900 0.101 0.000 1.083 146 Y CA -0.049 58.163 58.100 0.187 0.000 1.206 146 Y CB 1.104 39.665 38.460 0.169 0.000 1.195 146 Y HN 0.704 nan 8.280 nan 0.000 0.497 147 N N 1.503 120.377 118.700 0.289 0.000 2.254 147 N HA 0.068 4.823 4.740 0.024 0.000 0.190 147 N C -0.551 175.065 175.510 0.177 0.000 1.107 147 N CA 0.436 53.598 53.050 0.186 0.000 0.869 147 N CB 0.875 39.453 38.487 0.151 0.000 0.983 147 N HN 0.379 nan 8.380 nan 0.000 0.487 148 V N -2.296 117.754 119.914 0.227 0.000 3.130 148 V HA 0.462 4.596 4.120 0.024 0.000 0.310 148 V C -0.089 176.016 176.094 0.018 0.000 1.158 148 V CA -1.333 61.063 62.300 0.160 0.000 1.029 148 V CB 1.695 33.668 31.823 0.251 0.000 1.057 148 V HN -0.264 nan 8.190 nan 0.000 0.436 149 L N 3.333 124.537 121.223 -0.032 0.000 2.737 149 L HA 0.199 4.553 4.340 0.024 0.000 0.279 149 L C -2.203 174.424 176.870 -0.405 0.000 1.200 149 L CA -0.130 54.614 54.840 -0.160 0.000 0.952 149 L CB -0.923 41.074 42.059 -0.102 0.000 1.240 149 L HN 0.595 nan 8.230 nan 0.000 0.486 150 P HA 0.108 nan 4.420 nan 0.000 0.279 150 P C -0.618 176.319 177.300 -0.606 0.000 1.239 150 P CA -0.649 61.874 63.100 -0.960 0.000 0.789 150 P CB 0.602 31.527 31.700 -1.292 0.000 0.933 151 Q N 2.044 121.491 119.800 -0.589 0.000 2.244 151 Q HA 0.201 4.555 4.340 0.024 0.000 0.278 151 Q C 1.381 177.390 176.000 0.016 0.000 1.093 151 Q CA 1.604 57.319 55.803 -0.147 0.000 0.916 151 Q CB -0.192 28.524 28.738 -0.036 0.000 1.159 151 Q HN 0.896 nan 8.270 nan 0.000 0.384 152 G N 3.368 112.188 108.800 0.035 0.000 2.195 152 G HA2 -0.253 3.722 3.960 0.024 0.000 0.224 152 G HA3 -0.253 3.722 3.960 0.024 0.000 0.224 152 G C -0.353 174.588 174.900 0.068 0.000 0.990 152 G CA -0.024 45.129 45.100 0.088 0.000 0.639 152 G HN 0.591 nan 8.290 nan 0.000 0.514 153 W N 1.934 123.010 121.300 -0.372 0.000 2.237 153 W HA 0.638 5.313 4.660 0.025 0.000 0.335 153 W C 1.372 177.680 176.519 -0.350 0.000 1.230 153 W CA -0.338 56.718 57.345 -0.481 0.000 1.253 153 W CB 0.951 29.937 29.460 -0.790 0.000 1.129 153 W HN 0.058 nan 8.180 nan 0.000 0.590 154 K N 2.103 122.020 120.400 -0.805 0.000 2.074 154 K HA -0.143 4.191 4.320 0.024 0.000 0.209 154 K C 1.693 177.649 176.600 -1.073 0.000 1.048 154 K CA 2.018 57.839 56.287 -0.776 0.000 0.926 154 K CB -0.639 31.541 32.500 -0.534 0.000 0.713 154 K HN 0.740 nan 8.250 nan 0.000 0.444 155 G N -0.696 106.937 108.800 -1.945 0.000 2.880 155 G HA2 -0.051 3.924 3.960 0.024 0.000 0.209 155 G HA3 -0.051 3.924 3.960 0.024 0.000 0.209 155 G C 1.175 175.334 174.900 -1.236 0.000 1.157 155 G CA 0.121 43.955 45.100 -2.111 0.000 0.779 155 G HN 0.224 nan 8.290 nan 0.000 0.539 156 S N 1.827 117.006 115.700 -0.869 0.000 2.359 156 S HA -0.114 4.370 4.470 0.024 0.000 0.223 156 S C 0.126 174.247 174.600 -0.799 0.000 1.039 156 S CA 1.718 59.455 58.200 -0.773 0.000 1.042 156 S CB -0.720 61.823 63.200 -1.094 0.000 0.915 156 S HN 0.308 nan 8.310 nan 0.000 0.439 157 P HA -0.048 nan 4.420 nan 0.000 0.214 157 P C 1.531 178.689 177.300 -0.237 0.000 1.163 157 P CA 1.555 64.451 63.100 -0.340 0.000 0.883 157 P CB -0.139 31.400 31.700 -0.269 0.000 0.788 158 A N -1.064 121.525 122.820 -0.385 0.000 1.902 158 A HA -0.193 4.142 4.320 0.024 0.000 0.217 158 A C 2.130 179.563 177.584 -0.251 0.000 1.181 158 A CA 1.645 53.499 52.037 -0.307 0.000 0.623 158 A CB -1.699 17.067 19.000 -0.390 0.000 0.818 158 A HN 0.062 nan 8.150 nan 0.000 0.443 159 I N -1.735 118.622 120.570 -0.355 0.000 2.179 159 I HA -0.189 3.995 4.170 0.024 0.000 0.242 159 I C 2.192 178.245 176.117 -0.108 0.000 1.088 159 I CA 1.251 62.421 61.300 -0.216 0.000 1.357 159 I CB -0.577 37.297 38.000 -0.210 0.000 1.051 159 I HN 0.455 nan 8.210 nan 0.000 0.409 160 F N 0.883 120.719 119.950 -0.190 0.000 2.075 160 F HA -0.317 4.224 4.527 0.024 0.000 0.297 160 F C 2.706 178.461 175.800 -0.076 0.000 1.113 160 F CA 1.978 59.933 58.000 -0.075 0.000 1.218 160 F CB -0.453 38.579 39.000 0.053 0.000 0.984 160 F HN 0.029 nan 8.300 nan 0.000 0.472 161 Q N 0.310 120.184 119.800 0.124 0.000 2.062 161 Q HA -0.252 4.103 4.340 0.024 0.000 0.209 161 Q C 2.536 178.468 176.000 -0.113 0.000 0.996 161 Q CA 2.524 58.339 55.803 0.020 0.000 0.859 161 Q CB -0.840 27.898 28.738 -0.001 0.000 0.920 161 Q HN 0.483 nan 8.270 nan 0.000 0.415 162 S N -1.067 114.565 115.700 -0.113 0.000 2.365 162 S HA -0.226 4.259 4.470 0.024 0.000 0.221 162 S C 2.044 176.530 174.600 -0.191 0.000 1.037 162 S CA 1.944 60.073 58.200 -0.119 0.000 1.060 162 S CB -0.733 62.414 63.200 -0.089 0.000 0.974 162 S HN 0.545 nan 8.310 nan 0.000 0.427 163 S N 1.523 117.076 115.700 -0.244 0.000 2.381 163 S HA -0.245 4.239 4.470 0.024 0.000 0.230 163 S C 1.819 176.184 174.600 -0.392 0.000 1.052 163 S CA 1.986 59.998 58.200 -0.313 0.000 1.068 163 S CB -0.722 62.268 63.200 -0.351 0.000 0.918 163 S HN 0.617 nan 8.310 nan 0.000 0.448 164 M N 2.167 121.488 119.600 -0.464 0.000 2.126 164 M HA -0.131 4.364 4.480 0.024 0.000 0.259 164 M C 2.080 178.208 176.300 -0.287 0.000 1.073 164 M CA 2.086 57.139 55.300 -0.411 0.000 1.103 164 M CB -1.769 30.617 32.600 -0.357 0.000 1.284 164 M HN 0.257 nan 8.290 nan 0.000 0.420 165 T N 0.416 114.850 114.554 -0.200 0.000 2.684 165 T HA -0.289 4.075 4.350 0.024 0.000 0.267 165 T C 1.846 176.455 174.700 -0.151 0.000 1.032 165 T CA 2.233 64.251 62.100 -0.137 0.000 1.155 165 T CB -0.403 68.410 68.868 -0.091 0.000 0.857 165 T HN 0.401 nan 8.240 nan 0.000 0.457 166 K N 0.461 120.741 120.400 -0.200 0.000 1.984 166 K HA 0.084 4.419 4.320 0.024 0.000 0.209 166 K C 2.200 178.623 176.600 -0.296 0.000 1.046 166 K CA 1.135 57.293 56.287 -0.214 0.000 0.934 166 K CB -0.356 32.001 32.500 -0.238 0.000 0.717 166 K HN 0.284 nan 8.250 nan 0.000 0.438 167 I N 1.033 121.324 120.570 -0.465 0.000 2.315 167 I HA -0.309 3.875 4.170 0.024 0.000 0.251 167 I C 1.710 177.593 176.117 -0.391 0.000 1.125 167 I CA 1.235 62.140 61.300 -0.660 0.000 1.392 167 I CB -0.190 37.331 38.000 -0.798 0.000 1.065 167 I HN 0.218 nan 8.210 nan 0.000 0.424 168 L N -0.277 120.800 121.223 -0.242 0.000 2.446 168 L HA -0.034 4.320 4.340 0.024 0.000 0.219 168 L C 2.378 179.288 176.870 0.067 0.000 1.116 168 L CA 0.280 55.074 54.840 -0.076 0.000 0.844 168 L CB -0.472 41.534 42.059 -0.087 0.000 0.970 168 L HN 0.233 nan 8.230 nan 0.000 0.457 169 E N 1.231 121.439 120.200 0.013 0.000 2.108 169 E HA -0.258 4.107 4.350 0.024 0.000 0.203 169 E C -0.588 176.075 176.600 0.104 0.000 1.022 169 E CA 1.876 58.303 56.400 0.045 0.000 0.823 169 E CB -0.578 29.127 29.700 0.008 0.000 0.744 169 E HN 0.322 nan 8.360 nan 0.000 0.456 170 P HA -0.160 nan 4.420 nan 0.000 0.211 170 P C 1.148 178.564 177.300 0.193 0.000 1.179 170 P CA 1.185 64.384 63.100 0.165 0.000 0.910 170 P CB -0.282 31.549 31.700 0.218 0.000 0.785 171 F N 0.839 120.875 119.950 0.145 0.000 2.043 171 F HA -0.300 4.242 4.527 0.024 0.000 0.297 171 F C 2.295 178.136 175.800 0.070 0.000 1.118 171 F CA 1.847 59.921 58.000 0.123 0.000 1.202 171 F CB -0.473 38.644 39.000 0.196 0.000 0.965 171 F HN -0.239 nan 8.300 nan 0.000 0.482 172 R N 0.064 120.741 120.500 0.296 0.000 2.127 172 R HA -0.181 4.174 4.340 0.024 0.000 0.238 172 R C 2.159 178.496 176.300 0.063 0.000 1.134 172 R CA 1.559 57.759 56.100 0.166 0.000 0.975 172 R CB -0.477 29.909 30.300 0.142 0.000 0.865 172 R HN 0.371 nan 8.270 nan 0.000 0.447 173 K N 0.936 121.368 120.400 0.053 0.000 2.025 173 K HA -0.138 4.197 4.320 0.024 0.000 0.207 173 K C 1.981 178.565 176.600 -0.025 0.000 1.049 173 K CA 1.317 57.615 56.287 0.019 0.000 0.933 173 K CB 0.044 32.561 32.500 0.028 0.000 0.714 173 K HN 0.308 nan 8.250 nan 0.000 0.438 174 Q N 0.046 119.804 119.800 -0.069 0.000 2.444 174 Q HA 0.045 4.400 4.340 0.024 0.000 0.206 174 Q C 0.076 175.959 176.000 -0.195 0.000 0.948 174 Q CA 0.377 56.103 55.803 -0.128 0.000 0.946 174 Q CB 0.318 28.963 28.738 -0.156 0.000 1.027 174 Q HN 0.176 nan 8.270 nan 0.000 0.513 175 N N 0.808 119.385 118.700 -0.206 0.000 2.672 175 N HA 0.099 4.854 4.740 0.024 0.000 0.295 175 N C -2.163 173.305 175.510 -0.070 0.000 1.924 175 N CA -0.814 52.113 53.050 -0.205 0.000 0.851 175 N CB 1.181 39.408 38.487 -0.434 0.000 1.281 175 N HN 0.071 nan 8.380 nan 0.000 0.494 176 P HA -0.188 nan 4.420 nan 0.000 0.218 176 P C 0.568 177.883 177.300 0.024 0.000 1.152 176 P CA 1.611 64.715 63.100 0.006 0.000 0.857 176 P CB 0.206 31.907 31.700 0.001 0.000 0.787 177 D N -1.319 119.089 120.400 0.013 0.000 2.319 177 D HA 0.062 4.717 4.640 0.024 0.000 0.230 177 D C 0.717 177.047 176.300 0.050 0.000 1.094 177 D CA -0.302 53.716 54.000 0.030 0.000 0.856 177 D CB -0.712 40.099 40.800 0.018 0.000 0.915 177 D HN 0.230 nan 8.370 nan 0.000 0.517 178 I N 0.163 120.770 120.570 0.061 0.000 2.498 178 I HA 0.308 4.492 4.170 0.024 0.000 0.301 178 I C -0.582 175.614 176.117 0.132 0.000 0.984 178 I CA -1.182 60.180 61.300 0.104 0.000 1.204 178 I CB 2.392 40.468 38.000 0.128 0.000 1.362 178 I HN -0.238 nan 8.210 nan 0.000 0.471 179 V N 7.143 127.137 119.914 0.133 0.000 2.444 179 V HA 0.448 4.583 4.120 0.024 0.000 0.294 179 V C -0.338 175.845 176.094 0.149 0.000 1.022 179 V CA -0.389 62.006 62.300 0.159 0.000 0.850 179 V CB 1.908 33.812 31.823 0.134 0.000 0.992 179 V HN 0.401 nan 8.190 nan 0.000 0.426 180 I N 6.152 126.861 120.570 0.231 0.000 2.437 180 I HA 0.421 4.606 4.170 0.024 0.000 0.279 180 I C -0.629 175.693 176.117 0.342 0.000 1.028 180 I CA -0.467 60.949 61.300 0.194 0.000 1.142 180 I CB 0.909 38.976 38.000 0.112 0.000 1.266 180 I HN 0.470 nan 8.210 nan 0.000 0.461 181 Y N 4.559 124.881 120.300 0.037 0.000 2.304 181 Y HA 0.294 4.858 4.550 0.024 0.000 0.327 181 Y C 0.599 176.501 175.900 0.004 0.000 1.209 181 Y CA -0.718 57.422 58.100 0.067 0.000 1.299 181 Y CB 1.142 39.689 38.460 0.145 0.000 1.249 181 Y HN 0.472 nan 8.280 nan 0.000 0.519 182 Q N 2.913 122.814 119.800 0.169 0.000 2.333 182 Q HA 0.283 4.638 4.340 0.024 0.000 0.267 182 Q C -1.922 174.193 176.000 0.192 0.000 1.012 182 Q CA -0.891 54.962 55.803 0.083 0.000 0.824 182 Q CB 2.491 31.250 28.738 0.035 0.000 1.290 182 Q HN 0.688 nan 8.270 nan 0.000 0.449 183 Y N 4.404 124.718 120.300 0.024 0.000 2.274 183 Y HA 0.170 4.734 4.550 0.025 0.000 0.323 183 Y C 0.121 176.071 175.900 0.084 0.000 1.171 183 Y CA -0.155 58.025 58.100 0.133 0.000 1.163 183 Y CB 0.540 39.233 38.460 0.389 0.000 1.183 183 Y HN 0.923 nan 8.280 nan 0.000 0.424 184 M N 1.397 120.801 119.600 -0.327 0.000 7.319 184 M HA -0.387 4.107 4.480 0.024 0.000 0.292 184 M C -0.254 176.022 176.300 -0.040 0.000 0.480 184 M CA 2.395 57.575 55.300 -0.199 0.000 1.311 184 M CB -0.948 31.554 32.600 -0.163 0.000 0.421 184 M HN 0.656 nan 8.290 nan 0.000 0.545 185 D N 0.844 121.221 120.400 -0.040 0.000 2.424 185 D HA 0.289 4.944 4.640 0.024 0.000 0.220 185 D C -0.869 175.425 176.300 -0.010 0.000 1.150 185 D CA 0.270 54.232 54.000 -0.062 0.000 0.831 185 D CB 0.074 40.725 40.800 -0.249 0.000 0.981 185 D HN 0.271 nan 8.370 nan 0.000 0.500 186 D N 0.147 120.530 120.400 -0.029 0.000 2.269 186 D HA 0.451 5.105 4.640 0.024 0.000 0.244 186 D C -0.125 175.927 176.300 -0.414 0.000 0.992 186 D CA -0.390 53.475 54.000 -0.225 0.000 0.894 186 D CB 2.103 42.723 40.800 -0.301 0.000 1.248 186 D HN -0.102 nan 8.370 nan 0.000 0.468 187 L N 1.946 122.874 121.223 -0.491 0.000 2.343 187 L HA 0.384 4.739 4.340 0.024 0.000 0.278 187 L C -1.028 175.536 176.870 -0.510 0.000 0.996 187 L CA -0.842 53.760 54.840 -0.398 0.000 0.831 187 L CB 1.121 43.058 42.059 -0.202 0.000 1.232 187 L HN 0.295 nan 8.230 nan 0.000 0.413 188 Y N 3.043 123.312 120.300 -0.053 0.000 2.434 188 Y HA 0.411 4.976 4.550 0.025 0.000 0.341 188 Y C 0.006 175.803 175.900 -0.171 0.000 0.965 188 Y CA -1.050 56.932 58.100 -0.196 0.000 1.205 188 Y CB 1.457 39.737 38.460 -0.299 0.000 1.121 188 Y HN 0.207 nan 8.280 nan 0.000 0.507 189 V N 3.544 123.444 119.914 -0.024 0.000 2.350 189 V HA 0.717 4.851 4.120 0.024 0.000 0.276 189 V C 0.368 176.502 176.094 0.066 0.000 1.028 189 V CA -0.549 61.757 62.300 0.010 0.000 0.860 189 V CB 1.078 32.908 31.823 0.010 0.000 0.990 189 V HN 0.890 nan 8.190 nan 0.000 0.453 190 G N 3.006 111.825 108.800 0.032 0.000 2.571 190 G HA2 0.789 4.764 3.960 0.024 0.000 0.304 190 G HA3 0.789 4.764 3.960 0.024 0.000 0.304 190 G C -0.687 174.277 174.900 0.105 0.000 1.314 190 G CA -0.083 45.042 45.100 0.042 0.000 0.975 190 G HN 0.951 nan 8.290 nan 0.000 0.485 191 S N -0.552 115.219 115.700 0.119 0.000 2.688 191 S HA 0.600 5.084 4.470 0.024 0.000 0.275 191 S C -1.130 173.495 174.600 0.043 0.000 1.175 191 S CA -0.703 57.574 58.200 0.129 0.000 0.818 191 S CB 2.277 65.639 63.200 0.271 0.000 1.157 191 S HN 0.260 nan 8.310 nan 0.000 0.482 192 D N 0.470 120.900 120.400 0.050 0.000 2.501 192 D HA 0.411 5.066 4.640 0.024 0.000 0.224 192 D C 0.442 176.760 176.300 0.030 0.000 1.202 192 D CA -0.113 53.895 54.000 0.014 0.000 0.829 192 D CB 0.037 40.841 40.800 0.006 0.000 1.023 192 D HN 0.424 nan 8.370 nan 0.000 0.499 193 L N 0.287 121.555 121.223 0.075 0.000 2.475 193 L HA 0.165 4.519 4.340 0.024 0.000 0.212 193 L C 1.029 177.937 176.870 0.063 0.000 1.204 193 L CA -0.397 54.489 54.840 0.078 0.000 0.843 193 L CB 0.353 42.484 42.059 0.120 0.000 1.360 193 L HN -0.188 nan 8.230 nan 0.000 0.527 194 E N 0.274 120.512 120.200 0.063 0.000 2.313 194 E HA 0.065 4.429 4.350 0.024 0.000 0.272 194 E C 0.764 177.409 176.600 0.075 0.000 1.038 194 E CA -0.461 55.967 56.400 0.048 0.000 0.863 194 E CB 1.207 30.928 29.700 0.034 0.000 1.060 194 E HN 0.438 nan 8.360 nan 0.000 0.402 195 I N 2.442 123.041 120.570 0.048 0.000 2.182 195 I HA -0.278 3.907 4.170 0.024 0.000 0.248 195 I C 1.559 177.735 176.117 0.098 0.000 1.073 195 I CA 2.569 63.905 61.300 0.060 0.000 1.335 195 I CB -0.536 37.481 38.000 0.029 0.000 1.031 195 I HN 0.598 nan 8.210 nan 0.000 0.420 196 G N -1.026 107.817 108.800 0.073 0.000 2.426 196 G HA2 -0.137 3.838 3.960 0.024 0.000 0.214 196 G HA3 -0.137 3.838 3.960 0.024 0.000 0.214 196 G C 1.493 176.437 174.900 0.073 0.000 1.156 196 G CA 0.281 45.421 45.100 0.067 0.000 0.802 196 G HN 0.403 nan 8.290 nan 0.000 0.534 197 Q N 0.253 120.098 119.800 0.074 0.000 1.993 197 Q HA -0.146 4.209 4.340 0.024 0.000 0.202 197 Q C 2.168 178.217 176.000 0.082 0.000 0.984 197 Q CA 1.874 57.716 55.803 0.065 0.000 0.837 197 Q CB -0.664 28.110 28.738 0.059 0.000 0.902 197 Q HN 0.689 nan 8.270 nan 0.000 0.423 198 H N 0.676 119.767 119.070 0.034 0.000 2.265 198 H HA -0.154 4.416 4.556 0.025 0.000 0.293 198 H C 2.184 177.545 175.328 0.055 0.000 1.089 198 H CA 2.645 58.720 56.048 0.045 0.000 1.244 198 H CB -0.088 29.695 29.762 0.035 0.000 1.355 198 H HN 0.127 nan 8.280 nan 0.000 0.485 199 R N -0.676 119.912 120.500 0.148 0.000 2.133 199 R HA -0.176 4.179 4.340 0.024 0.000 0.247 199 R C 1.943 178.255 176.300 0.019 0.000 1.151 199 R CA 2.246 58.396 56.100 0.083 0.000 0.971 199 R CB -0.398 29.961 30.300 0.099 0.000 0.866 199 R HN 0.458 nan 8.270 nan 0.000 0.447 200 T N 0.326 114.894 114.554 0.023 0.000 2.812 200 T HA -0.067 4.298 4.350 0.024 0.000 0.264 200 T C 1.643 176.355 174.700 0.020 0.000 1.042 200 T CA 1.268 63.382 62.100 0.023 0.000 1.140 200 T CB -0.133 68.753 68.868 0.029 0.000 0.870 200 T HN 0.128 nan 8.240 nan 0.000 0.445 201 K N 0.918 121.317 120.400 -0.003 0.000 2.097 201 K HA 0.027 4.362 4.320 0.024 0.000 0.206 201 K C 1.991 178.630 176.600 0.064 0.000 1.049 201 K CA 0.731 57.045 56.287 0.044 0.000 0.933 201 K CB -0.624 31.880 32.500 0.005 0.000 0.717 201 K HN 0.175 nan 8.250 nan 0.000 0.442 202 I N 0.860 121.376 120.570 -0.089 0.000 2.142 202 I HA -0.214 3.971 4.170 0.024 0.000 0.240 202 I C 2.096 178.209 176.117 -0.006 0.000 1.078 202 I CA 1.368 62.620 61.300 -0.081 0.000 1.343 202 I CB -1.149 36.782 38.000 -0.115 0.000 1.046 202 I HN 0.243 nan 8.210 nan 0.000 0.405 203 E N 0.992 121.200 120.200 0.014 0.000 2.219 203 E HA -0.264 4.101 4.350 0.024 0.000 0.198 203 E C 2.045 178.683 176.600 0.063 0.000 0.998 203 E CA 1.525 57.946 56.400 0.035 0.000 0.818 203 E CB -0.159 29.564 29.700 0.037 0.000 0.741 203 E HN 0.510 nan 8.360 nan 0.000 0.477 204 E N -0.119 120.144 120.200 0.105 0.000 2.007 204 E HA -0.186 4.179 4.350 0.024 0.000 0.194 204 E C 2.148 178.865 176.600 0.195 0.000 0.999 204 E CA 1.165 57.672 56.400 0.178 0.000 0.811 204 E CB -0.404 29.454 29.700 0.262 0.000 0.762 204 E HN 0.352 nan 8.360 nan 0.000 0.450 205 L N 0.863 122.168 121.223 0.137 0.000 1.987 205 L HA -0.350 4.005 4.340 0.024 0.000 0.230 205 L C 2.767 179.580 176.870 -0.095 0.000 1.089 205 L CA 2.134 56.804 54.840 -0.282 0.000 0.802 205 L CB -0.467 41.250 42.059 -0.569 0.000 0.905 205 L HN 0.280 nan 8.230 nan 0.000 0.441 206 R N -0.749 119.712 120.500 -0.066 0.000 2.159 206 R HA -0.287 4.068 4.340 0.024 0.000 0.252 206 R C 2.205 178.527 176.300 0.037 0.000 1.144 206 R CA 2.520 58.608 56.100 -0.019 0.000 0.961 206 R CB -0.379 29.923 30.300 0.003 0.000 0.877 206 R HN 0.623 nan 8.270 nan 0.000 0.444 207 Q N -1.529 118.314 119.800 0.071 0.000 2.297 207 Q HA -0.171 4.183 4.340 0.024 0.000 0.204 207 Q C 1.928 178.030 176.000 0.169 0.000 0.962 207 Q CA 1.143 57.004 55.803 0.096 0.000 0.879 207 Q CB -0.090 28.697 28.738 0.082 0.000 0.947 207 Q HN 0.630 nan 8.270 nan 0.000 0.462 208 H N 0.488 119.605 119.070 0.078 0.000 2.326 208 H HA -0.066 4.505 4.556 0.024 0.000 0.301 208 H C 2.008 177.477 175.328 0.235 0.000 1.081 208 H CA 0.801 56.942 56.048 0.156 0.000 1.334 208 H CB 0.192 30.050 29.762 0.161 0.000 1.385 208 H HN 0.144 nan 8.280 nan 0.000 0.504 209 L N 0.467 121.757 121.223 0.110 0.000 1.994 209 L HA -0.214 4.141 4.340 0.024 0.000 0.208 209 L C 2.638 179.604 176.870 0.160 0.000 1.071 209 L CA 0.531 55.396 54.840 0.041 0.000 0.745 209 L CB -0.406 41.612 42.059 -0.069 0.000 0.892 209 L HN 0.375 nan 8.230 nan 0.000 0.431 210 L N 0.111 121.400 121.223 0.111 0.000 2.137 210 L HA -0.249 4.106 4.340 0.024 0.000 0.213 210 L C 2.418 179.341 176.870 0.087 0.000 1.085 210 L CA 1.633 56.528 54.840 0.092 0.000 0.760 210 L CB -1.059 41.038 42.059 0.062 0.000 0.893 210 L HN 0.373 nan 8.230 nan 0.000 0.434 211 R N -1.895 118.659 120.500 0.090 0.000 2.340 211 R HA -0.143 4.212 4.340 0.024 0.000 0.215 211 R C 0.684 176.847 176.300 -0.229 0.000 1.017 211 R CA 0.301 56.362 56.100 -0.066 0.000 1.111 211 R CB -0.025 30.220 30.300 -0.092 0.000 1.049 211 R HN 0.361 nan 8.270 nan 0.000 0.490 212 W N -2.062 119.259 121.300 0.036 0.000 1.807 212 W HA 0.249 4.923 4.660 0.025 0.000 0.251 212 W C 0.919 177.441 176.519 0.005 0.000 0.848 212 W CA 0.275 57.629 57.345 0.015 0.000 1.157 212 W CB 1.181 30.628 29.460 -0.022 0.000 0.992 212 W HN 0.203 nan 8.180 nan 0.000 0.506 213 G N 1.011 109.937 108.800 0.209 0.000 2.163 213 G HA2 -0.222 3.753 3.960 0.024 0.000 0.213 213 G HA3 -0.222 3.753 3.960 0.024 0.000 0.213 213 G C -0.364 174.618 174.900 0.136 0.000 0.991 213 G CA -0.430 44.761 45.100 0.152 0.000 0.653 213 G HN 0.063 nan 8.290 nan 0.000 0.518 214 L N 2.804 124.101 121.223 0.124 0.000 2.294 214 L HA 0.491 4.846 4.340 0.024 0.000 0.283 214 L C 1.088 178.008 176.870 0.083 0.000 1.015 214 L CA -0.393 54.511 54.840 0.106 0.000 0.831 214 L CB 1.375 43.474 42.059 0.067 0.000 1.217 214 L HN 0.337 nan 8.230 nan 0.000 0.420 215 T N -0.388 114.217 114.554 0.084 0.000 2.898 215 T HA 0.499 4.863 4.350 0.024 0.000 0.301 215 T C 0.191 174.926 174.700 0.058 0.000 1.049 215 T CA -0.297 61.841 62.100 0.063 0.000 1.095 215 T CB 1.541 70.443 68.868 0.057 0.000 0.976 215 T HN 0.521 nan 8.240 nan 0.000 0.539 216 T N 2.618 117.200 114.554 0.047 0.000 2.843 216 T HA 0.545 4.909 4.350 0.024 0.000 0.302 216 T C -2.745 171.988 174.700 0.055 0.000 1.232 216 T CA -0.939 61.187 62.100 0.044 0.000 1.009 216 T CB 1.707 70.587 68.868 0.020 0.000 1.254 216 T HN 0.448 nan 8.240 nan 0.000 0.504 217 P HA 0.363 nan 4.420 nan 0.000 0.269 217 P C -0.742 176.606 177.300 0.079 0.000 1.217 217 P CA -0.029 63.133 63.100 0.103 0.000 0.783 217 P CB 0.505 32.282 31.700 0.128 0.000 0.898 218 D N -0.169 120.283 120.400 0.088 0.000 2.621 218 D HA 0.249 4.904 4.640 0.024 0.000 0.255 218 D C 0.509 176.862 176.300 0.088 0.000 1.122 218 D CA -0.586 53.456 54.000 0.070 0.000 1.096 218 D CB 0.962 41.794 40.800 0.053 0.000 1.282 218 D HN -0.095 nan 8.370 nan 0.000 0.619 219 K N -0.092 120.354 120.400 0.077 0.000 2.616 219 K HA -0.009 4.326 4.320 0.024 0.000 0.192 219 K C 0.162 176.816 176.600 0.090 0.000 1.031 219 K CA 0.534 56.872 56.287 0.084 0.000 1.004 219 K CB 0.023 32.564 32.500 0.070 0.000 0.810 219 K HN -0.049 nan 8.250 nan 0.000 0.497 220 K N 0.003 120.460 120.400 0.094 0.000 2.299 220 K HA 0.067 4.402 4.320 0.024 0.000 0.268 220 K C -0.907 175.808 176.600 0.191 0.000 1.075 220 K CA -0.039 56.310 56.287 0.103 0.000 0.936 220 K CB 0.228 32.762 32.500 0.055 0.000 1.228 220 K HN 0.225 nan 8.250 nan 0.000 0.454 221 H N 0.576 119.675 119.070 0.048 0.000 4.438 221 H HA -0.188 4.383 4.556 0.025 0.000 0.108 221 H C -0.370 175.002 175.328 0.074 0.000 0.618 221 H CA 1.812 57.892 56.048 0.054 0.000 1.129 221 H CB -0.720 29.070 29.762 0.046 0.000 0.475 221 H HN 0.742 nan 8.280 nan 0.000 0.721 222 Q N 3.598 123.501 119.800 0.172 0.000 2.300 222 Q HA 0.175 4.530 4.340 0.024 0.000 0.262 222 Q C -0.257 175.834 176.000 0.152 0.000 1.109 222 Q CA -0.449 55.437 55.803 0.138 0.000 0.905 222 Q CB 0.643 29.460 28.738 0.131 0.000 1.280 222 Q HN 0.138 nan 8.270 nan 0.000 0.426 223 K N 2.661 123.162 120.400 0.168 0.000 2.585 223 K HA -0.141 4.193 4.320 0.024 0.000 0.271 223 K C -0.213 176.570 176.600 0.306 0.000 0.994 223 K CA 0.959 57.401 56.287 0.258 0.000 1.085 223 K CB 0.137 32.896 32.500 0.432 0.000 0.802 223 K HN 0.688 nan 8.250 nan 0.000 0.476 224 E N 2.483 122.739 120.200 0.095 0.000 2.238 224 E HA 0.362 4.727 4.350 0.024 0.000 0.267 224 E C -2.169 174.124 176.600 -0.513 0.000 0.887 224 E CA -2.198 54.138 56.400 -0.106 0.000 0.769 224 E CB 1.481 31.150 29.700 -0.053 0.000 1.187 224 E HN 0.337 nan 8.360 nan 0.000 0.416 225 P HA 0.217 nan 4.420 nan 0.000 0.271 225 P C -2.396 174.689 177.300 -0.358 0.000 1.233 225 P CA -1.068 61.460 63.100 -0.953 0.000 0.789 225 P CB -0.589 30.709 31.700 -0.671 0.000 0.951 226 P HA 0.179 nan 4.420 nan 0.000 0.269 226 P C -0.683 176.458 177.300 -0.266 0.000 1.215 226 P CA 0.287 63.342 63.100 -0.075 0.000 0.780 226 P CB 0.066 31.921 31.700 0.258 0.000 0.898 227 F N 1.183 121.175 119.950 0.071 0.000 2.404 227 F HA 0.300 4.841 4.527 0.024 0.000 0.345 227 F C 0.605 176.453 175.800 0.080 0.000 1.110 227 F CA -0.486 57.536 58.000 0.036 0.000 1.130 227 F CB 0.415 39.378 39.000 -0.062 0.000 1.129 227 F HN 0.102 nan 8.300 nan 0.000 0.500 228 L N 3.733 125.136 121.223 0.299 0.000 2.313 228 L HA 0.215 4.570 4.340 0.024 0.000 0.282 228 L C -1.365 175.702 176.870 0.328 0.000 1.092 228 L CA 0.238 55.219 54.840 0.236 0.000 0.831 228 L CB 0.269 42.422 42.059 0.158 0.000 1.159 228 L HN 0.698 nan 8.230 nan 0.000 0.442 229 W N 6.916 128.235 121.300 0.033 0.000 2.916 229 W HA 0.380 5.054 4.660 0.024 0.000 0.317 229 W C -0.966 175.558 176.519 0.009 0.000 1.047 229 W CA -1.042 56.283 57.345 -0.034 0.000 1.234 229 W CB 0.760 30.148 29.460 -0.121 0.000 1.143 229 W HN 0.361 nan 8.180 nan 0.000 0.372 230 M N 4.887 124.356 119.600 -0.219 0.000 3.740 230 M HA -0.092 4.403 4.480 0.024 0.000 0.160 230 M C 1.328 177.578 176.300 -0.082 0.000 1.480 230 M CA 2.069 57.222 55.300 -0.244 0.000 1.002 230 M CB -1.155 31.177 32.600 -0.447 0.000 1.322 230 M HN 1.058 nan 8.290 nan 0.000 0.434 231 G N -0.531 108.178 108.800 -0.152 0.000 2.186 231 G HA2 -0.315 3.660 3.960 0.024 0.000 0.266 231 G HA3 -0.315 3.660 3.960 0.024 0.000 0.266 231 G C -0.210 174.516 174.900 -0.291 0.000 0.982 231 G CA 0.776 45.746 45.100 -0.217 0.000 0.670 231 G HN 0.713 nan 8.290 nan 0.000 0.533 232 Y N -0.406 119.932 120.300 0.063 0.000 2.524 232 Y HA 0.618 5.182 4.550 0.024 0.000 0.344 232 Y C 0.368 176.331 175.900 0.104 0.000 1.012 232 Y CA -0.968 57.186 58.100 0.091 0.000 1.068 232 Y CB 1.726 40.221 38.460 0.057 0.000 1.249 232 Y HN 0.092 nan 8.280 nan 0.000 0.468 233 E N 2.280 122.648 120.200 0.280 0.000 2.155 233 E HA 0.351 4.715 4.350 0.024 0.000 0.264 233 E C -1.629 174.940 176.600 -0.051 0.000 0.886 233 E CA -0.829 55.623 56.400 0.087 0.000 0.752 233 E CB 1.398 31.111 29.700 0.022 0.000 1.133 233 E HN 0.276 nan 8.360 nan 0.000 0.414 234 L N 5.180 126.431 121.223 0.047 0.000 2.259 234 L HA 0.225 4.579 4.340 0.024 0.000 0.288 234 L C -0.237 176.703 176.870 0.117 0.000 1.051 234 L CA -0.267 54.653 54.840 0.133 0.000 0.824 234 L CB -0.184 42.022 42.059 0.244 0.000 1.206 234 L HN 0.500 nan 8.230 nan 0.000 0.429 235 H N 3.614 122.842 119.070 0.263 0.000 2.517 235 H HA 0.386 4.956 4.556 0.024 0.000 0.346 235 H C -1.595 173.845 175.328 0.187 0.000 1.222 235 H CA -2.434 53.700 56.048 0.144 0.000 1.314 235 H CB 0.292 30.111 29.762 0.095 0.000 1.609 235 H HN 0.234 nan 8.280 nan 0.000 0.571 236 P HA -0.125 nan 4.420 nan 0.000 0.218 236 P C 0.236 177.618 177.300 0.136 0.000 1.148 236 P CA 1.667 64.828 63.100 0.101 0.000 0.822 236 P CB 0.332 32.055 31.700 0.039 0.000 0.784 237 D N -2.601 117.938 120.400 0.231 0.000 2.527 237 D HA 0.106 4.760 4.640 0.024 0.000 0.224 237 D C 0.253 176.719 176.300 0.276 0.000 1.217 237 D CA -0.111 54.033 54.000 0.239 0.000 0.819 237 D CB -0.070 40.789 40.800 0.099 0.000 1.061 237 D HN 0.249 nan 8.370 nan 0.000 0.515 238 K N -0.912 119.685 120.400 0.329 0.000 2.607 238 K HA 0.509 4.844 4.320 0.024 0.000 0.287 238 K C -1.326 175.259 176.600 -0.026 0.000 0.996 238 K CA -1.165 55.098 56.287 -0.039 0.000 0.876 238 K CB 1.329 33.783 32.500 -0.076 0.000 1.496 238 K HN 0.071 nan 8.250 nan 0.000 0.415 239 W N 0.343 121.533 121.300 -0.183 0.000 2.850 239 W HA 0.758 5.431 4.660 0.023 0.000 0.349 239 W C -1.172 175.337 176.519 -0.017 0.000 1.133 239 W CA -0.951 56.289 57.345 -0.176 0.000 1.117 239 W CB 1.373 30.668 29.460 -0.276 0.000 1.442 239 W HN 0.899 nan 8.180 nan 0.000 0.575 240 T N -2.153 112.730 114.554 0.548 0.000 2.802 240 T HA 0.475 4.840 4.350 0.024 0.000 0.311 240 T C -1.187 173.828 174.700 0.525 0.000 1.405 240 T CA -0.756 61.649 62.100 0.507 0.000 1.016 240 T CB 1.520 70.552 68.868 0.272 0.000 1.352 240 T HN 0.414 nan 8.240 nan 0.000 0.498 241 V N 2.548 122.670 119.914 0.348 0.000 2.546 241 V HA 0.371 4.506 4.120 0.024 0.000 0.284 241 V C 0.763 176.932 176.094 0.125 0.000 1.050 241 V CA -0.858 61.500 62.300 0.097 0.000 0.981 241 V CB 0.972 32.821 31.823 0.043 0.000 0.990 241 V HN 1.005 nan 8.190 nan 0.000 0.474 242 Q N 5.529 125.363 119.800 0.058 0.000 2.332 242 Q HA 0.332 4.686 4.340 0.024 0.000 0.263 242 Q C -2.322 173.735 176.000 0.094 0.000 0.979 242 Q CA -1.714 54.138 55.803 0.082 0.000 0.885 242 Q CB 0.067 28.835 28.738 0.049 0.000 1.218 242 Q HN 0.560 nan 8.270 nan 0.000 0.405 243 P HA -0.113 nan 4.420 nan 0.000 0.259 243 P C -0.738 176.599 177.300 0.062 0.000 1.163 243 P CA 0.682 63.836 63.100 0.090 0.000 0.760 243 P CB 0.373 32.113 31.700 0.067 0.000 0.762 244 I N 4.616 125.226 120.570 0.067 0.000 2.354 244 I HA 0.246 4.430 4.170 0.024 0.000 0.286 244 I C -0.360 175.766 176.117 0.015 0.000 1.007 244 I CA -1.217 60.110 61.300 0.046 0.000 1.167 244 I CB 1.446 39.506 38.000 0.101 0.000 1.320 244 I HN 0.080 nan 8.210 nan 0.000 0.458 245 V N 6.057 125.979 119.914 0.014 0.000 2.383 245 V HA 0.474 4.609 4.120 0.024 0.000 0.275 245 V C -0.223 175.889 176.094 0.029 0.000 1.036 245 V CA -0.638 61.670 62.300 0.014 0.000 0.889 245 V CB 1.122 32.952 31.823 0.012 0.000 0.985 245 V HN 0.642 nan 8.190 nan 0.000 0.459 246 L N 7.700 128.947 121.223 0.039 0.000 2.282 246 L HA 0.440 4.795 4.340 0.024 0.000 0.287 246 L C -1.834 175.107 176.870 0.118 0.000 1.075 246 L CA -1.533 53.359 54.840 0.088 0.000 0.839 246 L CB 1.098 43.199 42.059 0.070 0.000 1.219 246 L HN 0.525 nan 8.230 nan 0.000 0.434 247 P HA 0.063 nan 4.420 nan 0.000 0.267 247 P C -0.623 176.739 177.300 0.103 0.000 1.205 247 P CA -0.169 62.967 63.100 0.059 0.000 0.765 247 P CB 0.899 32.589 31.700 -0.017 0.000 0.828 248 E N 2.776 123.010 120.200 0.057 0.000 2.259 248 E HA 0.266 4.630 4.350 0.024 0.000 0.281 248 E C -0.076 176.472 176.600 -0.086 0.000 1.027 248 E CA -0.193 56.262 56.400 0.092 0.000 0.838 248 E CB 0.843 30.588 29.700 0.076 0.000 1.066 248 E HN 0.354 nan 8.360 nan 0.000 0.401 249 K N 1.640 121.935 120.400 -0.176 0.000 2.469 249 K HA 0.334 4.669 4.320 0.024 0.000 0.268 249 K C -0.638 175.830 176.600 -0.220 0.000 1.027 249 K CA -0.808 55.236 56.287 -0.406 0.000 0.893 249 K CB 1.390 33.315 32.500 -0.958 0.000 1.460 249 K HN 0.281 nan 8.250 nan 0.000 0.449 250 D N -0.206 120.065 120.400 -0.216 0.000 2.469 250 D HA 0.028 4.683 4.640 0.024 0.000 0.213 250 D C -0.504 175.759 176.300 -0.062 0.000 1.135 250 D CA 0.397 54.365 54.000 -0.053 0.000 0.834 250 D CB 1.223 42.004 40.800 -0.032 0.000 1.009 250 D HN 0.232 nan 8.370 nan 0.000 0.507 251 S N 0.514 116.072 115.700 -0.235 0.000 2.746 251 S HA 0.352 4.836 4.470 0.024 0.000 0.273 251 S C -1.820 172.620 174.600 -0.267 0.000 1.172 251 S CA -0.679 57.434 58.200 -0.145 0.000 1.116 251 S CB 0.063 63.197 63.200 -0.110 0.000 1.057 251 S HN 0.032 nan 8.310 nan 0.000 0.483 252 W N 4.260 125.557 121.300 -0.006 0.000 2.278 252 W HA 0.371 5.047 4.660 0.026 0.000 0.317 252 W C 1.131 177.647 176.519 -0.005 0.000 1.030 252 W CA -0.644 56.698 57.345 -0.006 0.000 1.334 252 W CB 0.932 30.388 29.460 -0.006 0.000 1.215 252 W HN 0.655 nan 8.180 nan 0.000 0.405 253 T N -1.760 112.897 114.554 0.172 0.000 2.698 253 T HA 0.116 4.480 4.350 0.024 0.000 0.295 253 T C 1.027 175.804 174.700 0.128 0.000 1.007 253 T CA -0.586 61.582 62.100 0.113 0.000 0.980 253 T CB 0.906 69.808 68.868 0.057 0.000 1.036 253 T HN 0.174 nan 8.240 nan 0.000 0.526 254 V N 1.414 121.377 119.914 0.080 0.000 2.379 254 V HA -0.127 4.007 4.120 0.024 0.000 0.245 254 V C 2.764 178.897 176.094 0.066 0.000 1.044 254 V CA 1.986 64.325 62.300 0.064 0.000 1.036 254 V CB -1.324 30.524 31.823 0.042 0.000 0.664 254 V HN 0.859 nan 8.190 nan 0.000 0.453 255 N N 0.110 118.845 118.700 0.058 0.000 2.036 255 N HA -0.228 4.527 4.740 0.024 0.000 0.195 255 N C 1.533 177.091 175.510 0.079 0.000 1.037 255 N CA 1.760 54.841 53.050 0.052 0.000 0.855 255 N CB -0.175 38.334 38.487 0.037 0.000 1.033 255 N HN 0.467 nan 8.380 nan 0.000 0.423 256 D N 0.863 121.331 120.400 0.115 0.000 2.106 256 D HA -0.162 4.492 4.640 0.024 0.000 0.191 256 D C 1.884 178.333 176.300 0.249 0.000 0.997 256 D CA 1.031 55.151 54.000 0.200 0.000 0.834 256 D CB -0.407 40.556 40.800 0.273 0.000 0.956 256 D HN 0.370 nan 8.370 nan 0.000 0.448 257 I N 0.615 121.305 120.570 0.201 0.000 2.493 257 I HA -0.231 3.954 4.170 0.024 0.000 0.254 257 I C 2.344 178.485 176.117 0.040 0.000 1.160 257 I CA 0.849 62.196 61.300 0.079 0.000 1.445 257 I CB -0.287 37.723 38.000 0.015 0.000 1.086 257 I HN 0.050 nan 8.210 nan 0.000 0.433 258 Q N 0.875 120.706 119.800 0.053 0.000 1.994 258 Q HA -0.148 4.206 4.340 0.024 0.000 0.198 258 Q C 2.196 178.220 176.000 0.040 0.000 0.976 258 Q CA 0.985 56.809 55.803 0.035 0.000 0.828 258 Q CB -0.118 28.640 28.738 0.032 0.000 0.894 258 Q HN 0.319 nan 8.270 nan 0.000 0.432 259 K N 0.999 121.431 120.400 0.052 0.000 2.160 259 K HA -0.175 4.160 4.320 0.024 0.000 0.206 259 K C 2.045 178.678 176.600 0.055 0.000 1.047 259 K CA 0.827 57.142 56.287 0.047 0.000 0.930 259 K CB -0.662 31.868 32.500 0.050 0.000 0.720 259 K HN 0.143 nan 8.250 nan 0.000 0.450 260 L N 0.788 122.055 121.223 0.073 0.000 1.988 260 L HA -0.112 4.243 4.340 0.024 0.000 0.207 260 L C 2.186 179.069 176.870 0.022 0.000 1.071 260 L CA 1.325 56.200 54.840 0.059 0.000 0.744 260 L CB -0.662 41.424 42.059 0.045 0.000 0.893 260 L HN -0.115 nan 8.230 nan 0.000 0.433 261 V N 0.547 120.463 119.914 0.003 0.000 2.370 261 V HA -0.324 3.810 4.120 0.024 0.000 0.252 261 V C 2.572 178.684 176.094 0.031 0.000 1.068 261 V CA 1.981 64.281 62.300 0.000 0.000 1.061 261 V CB -1.652 30.169 31.823 -0.004 0.000 0.656 261 V HN 0.706 nan 8.190 nan 0.000 0.455 262 G N -0.588 108.238 108.800 0.042 0.000 2.433 262 G HA2 -0.255 3.720 3.960 0.024 0.000 0.216 262 G HA3 -0.255 3.720 3.960 0.024 0.000 0.216 262 G C 1.628 176.588 174.900 0.100 0.000 1.186 262 G CA 0.883 46.021 45.100 0.063 0.000 0.779 262 G HN 0.480 nan 8.290 nan 0.000 0.543 263 K N -0.369 120.079 120.400 0.081 0.000 2.147 263 K HA 0.043 4.377 4.320 0.024 0.000 0.205 263 K C 2.381 179.079 176.600 0.164 0.000 1.049 263 K CA 0.411 56.768 56.287 0.116 0.000 0.936 263 K CB -0.162 32.376 32.500 0.064 0.000 0.722 263 K HN 0.142 nan 8.250 nan 0.000 0.446 264 L N 1.703 122.982 121.223 0.092 0.000 2.072 264 L HA -0.153 4.201 4.340 0.024 0.000 0.205 264 L C 2.130 179.048 176.870 0.079 0.000 1.079 264 L CA 1.499 56.377 54.840 0.064 0.000 0.752 264 L CB -1.388 40.677 42.059 0.010 0.000 0.906 264 L HN 0.343 nan 8.230 nan 0.000 0.436 265 N N -0.400 118.352 118.700 0.087 0.000 2.120 265 N HA -0.257 4.497 4.740 0.024 0.000 0.188 265 N C 1.988 177.560 175.510 0.103 0.000 1.024 265 N CA 1.437 54.533 53.050 0.077 0.000 0.852 265 N CB -0.175 38.360 38.487 0.080 0.000 1.003 265 N HN 0.530 nan 8.380 nan 0.000 0.424 266 W N 2.128 123.432 121.300 0.007 0.000 2.358 266 W HA -0.143 4.534 4.660 0.028 0.000 0.303 266 W C 1.877 178.409 176.519 0.022 0.000 1.208 266 W CA 1.776 59.125 57.345 0.007 0.000 1.274 266 W CB -0.641 28.816 29.460 -0.006 0.000 1.138 266 W HN 0.085 nan 8.180 nan 0.000 0.515 267 A N 1.348 124.204 122.820 0.059 0.000 1.978 267 A HA -0.230 4.105 4.320 0.024 0.000 0.220 267 A C 2.091 179.641 177.584 -0.057 0.000 1.170 267 A CA 2.483 54.529 52.037 0.014 0.000 0.636 267 A CB -1.172 17.920 19.000 0.153 0.000 0.810 267 A HN 0.380 nan 8.150 nan 0.000 0.448 268 S N 0.138 115.799 115.700 -0.064 0.000 2.407 268 S HA -0.263 4.222 4.470 0.024 0.000 0.235 268 S C 1.925 176.432 174.600 -0.155 0.000 1.036 268 S CA 1.520 59.677 58.200 -0.072 0.000 1.013 268 S CB -0.378 62.788 63.200 -0.056 0.000 0.820 268 S HN 0.639 nan 8.310 nan 0.000 0.476 269 Q N 0.712 120.341 119.800 -0.285 0.000 2.084 269 Q HA 0.059 4.414 4.340 0.024 0.000 0.202 269 Q C 2.213 178.008 176.000 -0.343 0.000 0.978 269 Q CA 1.227 56.811 55.803 -0.365 0.000 0.844 269 Q CB -0.378 28.037 28.738 -0.538 0.000 0.898 269 Q HN 0.599 nan 8.270 nan 0.000 0.426 270 I N -1.476 118.889 120.570 -0.341 0.000 2.499 270 I HA -0.093 4.091 4.170 0.024 0.000 0.243 270 I C 0.215 176.148 176.117 -0.307 0.000 1.085 270 I CA 0.122 61.226 61.300 -0.327 0.000 1.422 270 I CB 0.012 37.765 38.000 -0.412 0.000 1.165 270 I HN -0.009 nan 8.210 nan 0.000 0.440 271 Y N 2.227 122.458 120.300 -0.114 0.000 2.319 271 Y HA 0.228 4.792 4.550 0.023 0.000 0.328 271 Y C -2.196 173.652 175.900 -0.086 0.000 1.133 271 Y CA -2.542 55.512 58.100 -0.076 0.000 1.265 271 Y CB -0.279 38.150 38.460 -0.052 0.000 1.218 271 Y HN -0.052 nan 8.280 nan 0.000 0.508 272 P HA 0.262 nan 4.420 nan 0.000 0.287 272 P C 0.548 177.860 177.300 0.020 0.000 1.307 272 P CA 0.328 63.435 63.100 0.012 0.000 0.777 272 P CB 1.003 32.694 31.700 -0.016 0.000 0.883 273 G N 3.280 112.078 108.800 -0.003 0.000 2.201 273 G HA2 -0.183 3.791 3.960 0.024 0.000 0.212 273 G HA3 -0.183 3.791 3.960 0.024 0.000 0.212 273 G C 0.233 175.123 174.900 -0.016 0.000 0.994 273 G CA -0.610 44.483 45.100 -0.012 0.000 0.644 273 G HN 0.417 nan 8.290 nan 0.000 0.508 274 I N 1.031 121.597 120.570 -0.007 0.000 2.872 274 I HA 0.268 4.453 4.170 0.024 0.000 0.291 274 I C 0.722 176.823 176.117 -0.027 0.000 1.216 274 I CA 1.087 62.374 61.300 -0.021 0.000 1.424 274 I CB 0.473 38.468 38.000 -0.010 0.000 1.351 274 I HN 0.194 nan 8.210 nan 0.000 0.592 275 K N 3.602 123.981 120.400 -0.035 0.000 2.527 275 K HA 0.496 4.831 4.320 0.024 0.000 0.260 275 K C -0.353 176.222 176.600 -0.042 0.000 0.937 275 K CA -0.540 55.726 56.287 -0.036 0.000 0.826 275 K CB 2.856 35.333 32.500 -0.039 0.000 1.359 275 K HN 0.400 nan 8.250 nan 0.000 0.434 276 V N -0.927 118.964 119.914 -0.039 0.000 3.172 276 V HA 0.230 4.364 4.120 0.024 0.000 0.343 276 V C 1.285 177.352 176.094 -0.045 0.000 1.429 276 V CA -0.238 62.034 62.300 -0.046 0.000 1.149 276 V CB 0.407 32.209 31.823 -0.034 0.000 1.106 276 V HN 0.801 nan 8.190 nan 0.000 0.526 277 R N 0.727 121.202 120.500 -0.042 0.000 2.080 277 R HA -0.118 4.237 4.340 0.024 0.000 0.236 277 R C 2.154 178.427 176.300 -0.044 0.000 1.137 277 R CA 2.444 58.522 56.100 -0.038 0.000 0.943 277 R CB -0.046 30.232 30.300 -0.036 0.000 0.846 277 R HN 0.591 nan 8.270 nan 0.000 0.431 278 Q N 0.119 119.887 119.800 -0.054 0.000 2.297 278 Q HA -0.022 4.333 4.340 0.024 0.000 0.204 278 Q C 0.830 176.784 176.000 -0.076 0.000 0.962 278 Q CA 0.371 56.138 55.803 -0.060 0.000 0.879 278 Q CB -0.009 28.691 28.738 -0.063 0.000 0.947 278 Q HN 0.262 nan 8.270 nan 0.000 0.462 282 L N 1.654 122.853 121.223 -0.040 0.000 2.265 282 L HA -0.049 4.306 4.340 0.024 0.000 0.215 282 L C 1.622 178.484 176.870 -0.015 0.000 1.117 282 L CA 1.288 56.109 54.840 -0.032 0.000 0.782 282 L CB -0.308 41.719 42.059 -0.053 0.000 0.914 282 L HN 0.210 nan 8.230 nan 0.000 0.441 283 L N -0.771 120.444 121.223 -0.013 0.000 2.376 283 L HA -0.054 4.301 4.340 0.024 0.000 0.219 283 L C 1.110 177.980 176.870 0.001 0.000 1.133 283 L CA 0.684 55.523 54.840 -0.002 0.000 0.816 283 L CB -0.814 41.244 42.059 -0.001 0.000 0.933 283 L HN 0.156 nan 8.230 nan 0.000 0.449 284 R N 0.193 120.691 120.500 -0.003 0.000 2.513 284 R HA 0.219 4.574 4.340 0.024 0.000 0.333 284 R C 1.334 177.636 176.300 0.002 0.000 0.925 284 R CA 0.744 56.843 56.100 -0.001 0.000 1.072 284 R CB -0.583 29.714 30.300 -0.004 0.000 0.914 284 R HN 0.361 nan 8.270 nan 0.000 0.408 285 G N 2.108 110.910 108.800 0.004 0.000 2.179 285 G HA2 -0.353 3.622 3.960 0.024 0.000 0.260 285 G HA3 -0.353 3.622 3.960 0.024 0.000 0.260 285 G C 0.364 175.269 174.900 0.008 0.000 0.977 285 G CA 0.397 45.500 45.100 0.006 0.000 0.641 285 G HN 0.735 nan 8.290 nan 0.000 0.533 286 T N -0.579 113.981 114.554 0.010 0.000 2.891 286 T HA 0.332 4.697 4.350 0.024 0.000 0.296 286 T C 1.306 176.014 174.700 0.013 0.000 1.025 286 T CA 0.918 63.026 62.100 0.013 0.000 1.149 286 T CB 1.273 70.150 68.868 0.016 0.000 1.007 286 T HN 0.878 nan 8.240 nan 0.000 0.528 287 K N 1.123 121.531 120.400 0.014 0.000 2.367 287 K HA 0.542 4.877 4.320 0.024 0.000 0.194 287 K C 0.356 176.964 176.600 0.013 0.000 1.027 287 K CA -0.204 56.091 56.287 0.012 0.000 1.075 287 K CB 0.493 33.000 32.500 0.011 0.000 0.845 287 K HN 0.805 nan 8.250 nan 0.000 0.529 288 A N 0.571 123.400 122.820 0.016 0.000 2.590 288 A HA 0.299 4.633 4.320 0.024 0.000 0.294 288 A C 0.123 177.718 177.584 0.019 0.000 1.046 288 A CA -0.796 51.251 52.037 0.016 0.000 0.684 288 A CB 0.576 19.584 19.000 0.014 0.000 1.279 288 A HN -0.015 nan 8.150 nan 0.000 0.415 289 L N 0.900 122.134 121.223 0.018 0.000 2.079 289 L HA -0.111 4.243 4.340 0.024 0.000 0.210 289 L C 2.603 179.488 176.870 0.025 0.000 1.081 289 L CA 2.883 57.736 54.840 0.022 0.000 0.752 289 L CB -1.937 40.133 42.059 0.018 0.000 0.896 289 L HN 0.997 nan 8.230 nan 0.000 0.433 290 T N -2.886 111.680 114.554 0.020 0.000 3.118 290 T HA -0.069 4.296 4.350 0.024 0.000 0.260 290 T C 0.837 175.550 174.700 0.022 0.000 1.139 290 T CA -0.194 61.917 62.100 0.018 0.000 1.085 290 T CB -0.221 68.654 68.868 0.011 0.000 0.934 290 T HN 0.322 nan 8.240 nan 0.000 0.518 291 E N 1.293 121.508 120.200 0.026 0.000 2.442 291 E HA 0.194 4.558 4.350 0.024 0.000 0.262 291 E C -0.938 175.687 176.600 0.042 0.000 1.004 291 E CA -0.308 56.109 56.400 0.029 0.000 0.928 291 E CB 0.593 30.309 29.700 0.027 0.000 0.937 291 E HN 0.086 nan 8.360 nan 0.000 0.446 292 V N 5.929 125.868 119.914 0.042 0.000 2.394 292 V HA 0.295 4.429 4.120 0.024 0.000 0.282 292 V C -0.235 175.897 176.094 0.064 0.000 1.031 292 V CA -0.527 61.809 62.300 0.059 0.000 0.881 292 V CB 1.065 32.915 31.823 0.045 0.000 0.982 292 V HN 0.519 nan 8.190 nan 0.000 0.451 293 I N 7.812 128.436 120.570 0.090 0.000 2.410 293 I HA 0.437 4.621 4.170 0.024 0.000 0.286 293 I C -2.145 174.025 176.117 0.088 0.000 1.009 293 I CA -2.086 59.256 61.300 0.070 0.000 1.111 293 I CB 2.286 40.316 38.000 0.049 0.000 1.262 293 I HN 0.463 nan 8.210 nan 0.000 0.443 294 P HA 0.126 nan 4.420 nan 0.000 0.267 294 P C -0.653 176.668 177.300 0.035 0.000 1.205 294 P CA -0.154 62.989 63.100 0.072 0.000 0.765 294 P CB 0.511 32.240 31.700 0.049 0.000 0.828 295 L N 3.243 124.484 121.223 0.029 0.000 2.410 295 L HA 0.142 4.496 4.340 0.024 0.000 0.273 295 L C 1.662 178.513 176.870 -0.031 0.000 1.152 295 L CA -0.312 54.497 54.840 -0.052 0.000 0.855 295 L CB -0.014 41.968 42.059 -0.129 0.000 1.129 295 L HN 0.455 nan 8.230 nan 0.000 0.463 296 T N -1.553 112.975 114.554 -0.045 0.000 2.701 296 T HA 0.007 4.372 4.350 0.024 0.000 0.303 296 T C 0.969 175.648 174.700 -0.035 0.000 1.030 296 T CA -0.434 61.647 62.100 -0.031 0.000 1.010 296 T CB 1.366 70.213 68.868 -0.034 0.000 1.007 296 T HN 0.751 nan 8.240 nan 0.000 0.532 297 E N 0.387 120.572 120.200 -0.025 0.000 2.017 297 E HA -0.211 4.154 4.350 0.024 0.000 0.193 297 E C 1.936 178.515 176.600 -0.035 0.000 0.997 297 E CA 1.367 57.753 56.400 -0.023 0.000 0.804 297 E CB -0.209 29.482 29.700 -0.016 0.000 0.757 297 E HN 0.740 nan 8.360 nan 0.000 0.448 298 E N 0.773 120.951 120.200 -0.035 0.000 2.086 298 E HA -0.279 4.085 4.350 0.024 0.000 0.205 298 E C 1.872 178.437 176.600 -0.059 0.000 1.027 298 E CA 1.773 58.148 56.400 -0.042 0.000 0.830 298 E CB -0.542 29.134 29.700 -0.039 0.000 0.751 298 E HN 0.444 nan 8.360 nan 0.000 0.456 299 A N 0.688 123.465 122.820 -0.073 0.000 1.865 299 A HA -0.285 4.050 4.320 0.024 0.000 0.217 299 A C 2.209 179.720 177.584 -0.122 0.000 1.191 299 A CA 1.962 53.933 52.037 -0.110 0.000 0.623 299 A CB -0.736 18.185 19.000 -0.132 0.000 0.826 299 A HN 0.222 nan 8.150 nan 0.000 0.444 300 E N -0.697 119.446 120.200 -0.095 0.000 2.171 300 E HA -0.190 4.174 4.350 0.024 0.000 0.197 300 E C 1.743 178.308 176.600 -0.060 0.000 0.997 300 E CA 1.274 57.630 56.400 -0.074 0.000 0.810 300 E CB -0.294 29.387 29.700 -0.031 0.000 0.738 300 E HN 0.487 nan 8.360 nan 0.000 0.467 301 L N 1.029 122.221 121.223 -0.053 0.000 2.007 301 L HA -0.097 4.257 4.340 0.024 0.000 0.205 301 L C 2.211 179.050 176.870 -0.053 0.000 1.073 301 L CA 2.435 57.249 54.840 -0.044 0.000 0.744 301 L CB -1.010 41.027 42.059 -0.035 0.000 0.898 301 L HN 0.325 nan 8.230 nan 0.000 0.435 302 E N -0.423 119.739 120.200 -0.063 0.000 2.085 302 E HA -0.305 4.060 4.350 0.024 0.000 0.194 302 E C 2.196 178.750 176.600 -0.077 0.000 0.994 302 E CA 1.793 58.153 56.400 -0.066 0.000 0.801 302 E CB -0.875 28.784 29.700 -0.068 0.000 0.743 302 E HN 0.406 nan 8.360 nan 0.000 0.453 303 L N 1.478 122.640 121.223 -0.101 0.000 2.043 303 L HA -0.181 4.174 4.340 0.024 0.000 0.212 303 L C 2.484 179.313 176.870 -0.068 0.000 1.075 303 L CA 2.339 57.111 54.840 -0.113 0.000 0.752 303 L CB -0.927 41.028 42.059 -0.174 0.000 0.891 303 L HN 0.286 nan 8.230 nan 0.000 0.432 304 A N -0.461 122.328 122.820 -0.051 0.000 1.851 304 A HA -0.266 4.069 4.320 0.024 0.000 0.216 304 A C 2.092 179.654 177.584 -0.038 0.000 1.195 304 A CA 1.943 53.961 52.037 -0.032 0.000 0.622 304 A CB -0.855 18.131 19.000 -0.024 0.000 0.831 304 A HN 0.633 nan 8.150 nan 0.000 0.444 305 E N 0.007 120.181 120.200 -0.042 0.000 2.130 305 E HA -0.230 4.134 4.350 0.024 0.000 0.196 305 E C 1.799 178.366 176.600 -0.055 0.000 0.998 305 E CA 1.307 57.682 56.400 -0.043 0.000 0.806 305 E CB -0.308 29.367 29.700 -0.041 0.000 0.738 305 E HN 0.549 nan 8.360 nan 0.000 0.459 306 N N 0.813 119.475 118.700 -0.064 0.000 2.188 306 N HA -0.098 4.656 4.740 0.024 0.000 0.184 306 N C 1.639 177.091 175.510 -0.097 0.000 1.018 306 N CA 0.860 53.861 53.050 -0.082 0.000 0.858 306 N CB -0.181 38.259 38.487 -0.079 0.000 0.989 306 N HN 0.131 nan 8.380 nan 0.000 0.426 307 R N 0.607 121.065 120.500 -0.069 0.000 2.159 307 R HA -0.055 4.300 4.340 0.024 0.000 0.237 307 R C 1.338 177.596 176.300 -0.070 0.000 1.131 307 R CA 0.898 56.961 56.100 -0.061 0.000 0.982 307 R CB 0.084 30.368 30.300 -0.026 0.000 0.868 307 R HN 0.198 nan 8.270 nan 0.000 0.453 308 E N 0.244 120.407 120.200 -0.062 0.000 2.190 308 E HA -0.011 4.353 4.350 0.024 0.000 0.191 308 E C 1.943 178.504 176.600 -0.064 0.000 0.978 308 E CA 0.614 56.983 56.400 -0.051 0.000 0.839 308 E CB 0.025 29.706 29.700 -0.033 0.000 0.787 308 E HN 0.333 nan 8.360 nan 0.000 0.473 309 I N 0.776 121.293 120.570 -0.089 0.000 2.202 309 I HA -0.223 3.961 4.170 0.024 0.000 0.242 309 I C 2.277 178.261 176.117 -0.222 0.000 1.091 309 I CA 0.768 62.013 61.300 -0.091 0.000 1.368 309 I CB -0.144 37.806 38.000 -0.083 0.000 1.058 309 I HN 0.052 nan 8.210 nan 0.000 0.410 310 L N 0.507 121.496 121.223 -0.391 0.000 2.263 310 L HA -0.221 4.133 4.340 0.024 0.000 0.216 310 L C 1.608 178.265 176.870 -0.355 0.000 1.111 310 L CA 1.344 55.779 54.840 -0.675 0.000 0.773 310 L CB -0.407 41.398 42.059 -0.424 0.000 0.906 310 L HN 0.230 nan 8.230 nan 0.000 0.439 311 K N -0.058 120.257 120.400 -0.142 0.000 2.520 311 K HA 0.054 4.389 4.320 0.024 0.000 0.205 311 K C 0.371 176.999 176.600 0.046 0.000 1.035 311 K CA -0.099 56.172 56.287 -0.026 0.000 1.188 311 K CB 0.118 32.607 32.500 -0.019 0.000 0.894 311 K HN 0.184 nan 8.250 nan 0.000 0.497 312 E N 2.360 122.628 120.200 0.113 0.000 2.242 312 E HA 0.163 4.527 4.350 0.024 0.000 0.275 312 E C -2.435 174.327 176.600 0.270 0.000 1.002 312 E CA -2.258 54.253 56.400 0.185 0.000 0.841 312 E CB 1.364 31.185 29.700 0.202 0.000 1.109 312 E HN -0.077 nan 8.360 nan 0.000 0.394 313 P HA 0.088 nan 4.420 nan 0.000 0.241 313 P C -0.095 177.287 177.300 0.137 0.000 1.780 313 P CA -0.281 62.917 63.100 0.163 0.000 1.111 313 P CB 0.060 31.833 31.700 0.122 0.000 1.852 314 V N 2.542 122.492 119.914 0.060 0.000 2.649 314 V HA 0.538 4.673 4.120 0.024 0.000 0.292 314 V C 0.226 176.299 176.094 -0.035 0.000 1.055 314 V CA -0.175 62.062 62.300 -0.105 0.000 1.023 314 V CB 0.735 32.347 31.823 -0.352 0.000 0.992 314 V HN 0.681 nan 8.190 nan 0.000 0.480 315 H N 2.172 121.099 119.070 -0.237 0.000 2.990 315 H HA 0.872 5.443 4.556 0.025 0.000 0.343 315 H C -0.404 174.231 175.328 -1.155 0.000 1.270 315 H CA -0.364 55.348 56.048 -0.559 0.000 1.118 315 H CB 1.829 31.378 29.762 -0.355 0.000 1.861 315 H HN 1.004 nan 8.280 nan 0.000 0.544 316 G N -0.162 107.324 108.800 -2.189 0.000 2.866 316 G HA2 0.535 4.509 3.960 0.024 0.000 0.289 316 G HA3 0.535 4.509 3.960 0.024 0.000 0.289 316 G C -1.310 172.835 174.900 -1.258 0.000 1.396 316 G CA -0.471 43.458 45.100 -1.952 0.000 0.848 316 G HN 0.502 nan 8.290 nan 0.000 0.515 317 V N -1.007 118.603 119.914 -0.505 0.000 3.204 317 V HA 0.617 4.752 4.120 0.024 0.000 0.316 317 V C -1.010 175.072 176.094 -0.020 0.000 1.160 317 V CA -0.730 61.447 62.300 -0.205 0.000 1.044 317 V CB 1.772 33.604 31.823 0.014 0.000 1.136 317 V HN 0.640 nan 8.190 nan 0.000 0.455 318 Y N -0.729 119.721 120.300 0.249 0.000 2.568 318 Y HA 0.462 5.027 4.550 0.025 0.000 0.327 318 Y C -0.257 175.845 175.900 0.337 0.000 1.163 318 Y CA -0.595 57.701 58.100 0.328 0.000 1.219 318 Y CB 0.912 39.509 38.460 0.230 0.000 1.308 318 Y HN 0.571 nan 8.280 nan 0.000 0.503 319 Y N 1.755 122.309 120.300 0.423 0.000 2.377 319 Y HA 0.143 4.707 4.550 0.024 0.000 0.330 319 Y C -0.386 175.630 175.900 0.193 0.000 1.108 319 Y CA -0.459 57.815 58.100 0.290 0.000 1.308 319 Y CB 0.544 39.251 38.460 0.411 0.000 1.216 319 Y HN 0.577 nan 8.280 nan 0.000 0.518 320 D N 8.523 128.709 120.400 -0.357 0.000 2.460 320 D HA 0.299 4.953 4.640 0.024 0.000 0.232 320 D C -2.205 173.610 176.300 -0.809 0.000 1.079 320 D CA -2.748 51.014 54.000 -0.395 0.000 0.864 320 D CB 1.857 42.557 40.800 -0.165 0.000 1.048 320 D HN 0.278 nan 8.370 nan 0.000 0.523 321 P HA -0.158 nan 4.420 nan 0.000 0.220 321 P C 1.127 178.256 177.300 -0.284 0.000 1.144 321 P CA 1.094 63.834 63.100 -0.600 0.000 0.800 321 P CB 0.189 31.754 31.700 -0.225 0.000 0.772 322 S N -2.465 113.104 115.700 -0.218 0.000 2.489 322 S HA 0.026 4.511 4.470 0.024 0.000 0.228 322 S C 0.885 175.425 174.600 -0.101 0.000 0.995 322 S CA 0.320 58.449 58.200 -0.119 0.000 0.934 322 S CB -0.461 62.688 63.200 -0.086 0.000 0.771 322 S HN 0.075 nan 8.310 nan 0.000 0.522 323 K N 1.566 121.889 120.400 -0.129 0.000 2.139 323 K HA 0.361 4.696 4.320 0.024 0.000 0.243 323 K C -0.812 175.751 176.600 -0.062 0.000 0.983 323 K CA -0.826 55.413 56.287 -0.081 0.000 0.890 323 K CB 0.437 32.897 32.500 -0.067 0.000 1.090 323 K HN 0.133 nan 8.250 nan 0.000 0.445 324 D N 1.252 121.614 120.400 -0.062 0.000 2.390 324 D HA 0.040 4.694 4.640 0.024 0.000 0.236 324 D C -0.118 176.098 176.300 -0.140 0.000 1.189 324 D CA 0.385 54.332 54.000 -0.089 0.000 0.887 324 D CB 0.697 41.438 40.800 -0.099 0.000 1.198 324 D HN 0.169 nan 8.370 nan 0.000 0.444 325 L N 2.285 123.381 121.223 -0.212 0.000 2.296 325 L HA 0.464 4.818 4.340 0.024 0.000 0.286 325 L C -0.342 176.262 176.870 -0.443 0.000 1.023 325 L CA -0.529 54.087 54.840 -0.373 0.000 0.812 325 L CB 0.969 42.757 42.059 -0.452 0.000 1.223 325 L HN 0.182 nan 8.230 nan 0.000 0.421 326 I N 3.459 123.673 120.570 -0.593 0.000 2.512 326 I HA 0.479 4.664 4.170 0.024 0.000 0.287 326 I C -0.395 175.263 176.117 -0.764 0.000 1.069 326 I CA -0.453 60.429 61.300 -0.695 0.000 1.056 326 I CB 2.147 39.672 38.000 -0.791 0.000 1.229 326 I HN 0.570 nan 8.210 nan 0.000 0.429 327 A N 5.503 127.959 122.820 -0.607 0.000 2.318 327 A HA 0.699 5.033 4.320 0.024 0.000 0.324 327 A C -0.757 176.768 177.584 -0.098 0.000 1.170 327 A CA -0.457 51.375 52.037 -0.341 0.000 0.810 327 A CB 1.424 20.177 19.000 -0.411 0.000 1.198 327 A HN 0.758 nan 8.150 nan 0.000 0.484 328 E N 2.263 122.528 120.200 0.109 0.000 2.222 328 E HA 0.636 5.000 4.350 0.024 0.000 0.267 328 E C -1.376 175.369 176.600 0.241 0.000 0.884 328 E CA -0.476 56.041 56.400 0.195 0.000 0.764 328 E CB 1.323 31.169 29.700 0.245 0.000 1.169 328 E HN 0.649 nan 8.360 nan 0.000 0.413 329 I N 2.863 123.568 120.570 0.225 0.000 2.493 329 I HA 0.319 4.504 4.170 0.024 0.000 0.298 329 I C -0.618 175.641 176.117 0.236 0.000 0.998 329 I CA -0.877 60.572 61.300 0.247 0.000 1.137 329 I CB 1.900 40.010 38.000 0.184 0.000 1.310 329 I HN 0.422 nan 8.210 nan 0.000 0.445 330 Q N 3.819 123.776 119.800 0.261 0.000 2.394 330 Q HA 0.409 4.764 4.340 0.024 0.000 0.273 330 Q C -0.847 175.277 176.000 0.207 0.000 1.089 330 Q CA -0.883 55.035 55.803 0.192 0.000 0.812 330 Q CB 2.532 31.327 28.738 0.095 0.000 1.353 330 Q HN 0.348 nan 8.270 nan 0.000 0.438 331 K N 1.906 122.329 120.400 0.038 0.000 2.299 331 K HA 0.144 4.479 4.320 0.024 0.000 0.268 331 K C -0.811 175.631 176.600 -0.264 0.000 1.075 331 K CA -0.171 55.915 56.287 -0.335 0.000 0.936 331 K CB 0.688 32.879 32.500 -0.516 0.000 1.228 331 K HN 0.635 nan 8.250 nan 0.000 0.454 332 Q N 4.074 123.726 119.800 -0.247 0.000 2.810 332 Q HA 0.237 4.591 4.340 0.024 0.000 0.236 332 Q C -0.477 175.404 176.000 -0.198 0.000 1.278 332 Q CA 0.016 55.722 55.803 -0.161 0.000 1.065 332 Q CB 0.272 28.955 28.738 -0.092 0.000 1.364 332 Q HN 0.928 nan 8.270 nan 0.000 0.570 333 G N 2.234 110.912 108.800 -0.203 0.000 2.690 333 G HA2 -0.255 3.719 3.960 0.024 0.000 0.686 333 G HA3 -0.255 3.719 3.960 0.024 0.000 0.686 333 G C -0.839 173.902 174.900 -0.265 0.000 1.277 333 G CA -0.443 44.548 45.100 -0.181 0.000 0.799 333 G HN 0.697 nan 8.290 nan 0.000 0.613 334 Q N 0.498 120.177 119.800 -0.201 0.000 2.262 334 Q HA 0.373 4.728 4.340 0.024 0.000 0.298 334 Q C 1.691 177.567 176.000 -0.206 0.000 1.083 334 Q CA 1.687 57.369 55.803 -0.203 0.000 0.962 334 Q CB -0.255 28.393 28.738 -0.149 0.000 1.104 334 Q HN 2.602 nan 8.270 nan 0.000 0.376 335 G N 3.111 111.765 108.800 -0.243 0.000 2.196 335 G HA2 -0.345 3.630 3.960 0.024 0.000 0.268 335 G HA3 -0.345 3.630 3.960 0.024 0.000 0.268 335 G C -0.049 174.753 174.900 -0.162 0.000 0.975 335 G CA 0.647 45.707 45.100 -0.068 0.000 0.648 335 G HN 0.637 nan 8.290 nan 0.000 0.538 336 Q N -0.993 118.546 119.800 -0.436 0.000 2.293 336 Q HA 0.595 4.949 4.340 0.024 0.000 0.261 336 Q C -0.915 174.777 176.000 -0.514 0.000 0.960 336 Q CA -0.765 54.886 55.803 -0.252 0.000 0.882 336 Q CB 0.987 29.641 28.738 -0.140 0.000 1.275 336 Q HN 0.398 nan 8.270 nan 0.000 0.445 337 W N 0.896 122.251 121.300 0.092 0.000 2.915 337 W HA 0.456 5.131 4.660 0.026 0.000 0.337 337 W C -0.416 176.155 176.519 0.087 0.000 1.102 337 W CA -0.714 56.692 57.345 0.103 0.000 1.224 337 W CB 1.697 31.251 29.460 0.158 0.000 1.416 337 W HN 0.469 nan 8.180 nan 0.000 0.503 338 T N -0.166 114.560 114.554 0.286 0.000 2.885 338 T HA 0.821 5.185 4.350 0.024 0.000 0.285 338 T C -1.219 173.608 174.700 0.211 0.000 1.019 338 T CA -0.684 61.492 62.100 0.127 0.000 1.010 338 T CB 1.600 70.474 68.868 0.010 0.000 1.022 338 T HN 0.512 nan 8.240 nan 0.000 0.466 339 Y N -0.006 120.306 120.300 0.019 0.000 2.544 339 Y HA 0.710 5.274 4.550 0.022 0.000 0.342 339 Y C -1.194 174.727 175.900 0.035 0.000 1.062 339 Y CA -1.288 56.842 58.100 0.049 0.000 1.023 339 Y CB 1.762 40.258 38.460 0.059 0.000 1.308 339 Y HN 0.783 nan 8.280 nan 0.000 0.457 340 Q N 4.040 123.906 119.800 0.110 0.000 2.323 340 Q HA 0.601 4.956 4.340 0.024 0.000 0.271 340 Q C -1.538 174.602 176.000 0.234 0.000 1.048 340 Q CA -0.805 55.056 55.803 0.097 0.000 0.792 340 Q CB 3.052 31.865 28.738 0.124 0.000 1.280 340 Q HN 0.921 nan 8.270 nan 0.000 0.441 341 I N 3.699 124.395 120.570 0.210 0.000 2.382 341 I HA 0.458 4.643 4.170 0.024 0.000 0.286 341 I C -0.913 175.247 176.117 0.071 0.000 1.002 341 I CA -0.966 60.373 61.300 0.066 0.000 1.135 341 I CB 0.653 38.726 38.000 0.122 0.000 1.288 341 I HN 0.670 nan 8.210 nan 0.000 0.448 342 Y N 3.466 123.733 120.300 -0.055 0.000 2.705 342 Y HA 0.572 5.135 4.550 0.022 0.000 0.332 342 Y C 0.133 175.977 175.900 -0.093 0.000 1.157 342 Y CA -0.857 57.218 58.100 -0.043 0.000 1.091 342 Y CB 0.996 39.456 38.460 0.001 0.000 1.301 342 Y HN 0.392 nan 8.280 nan 0.000 0.488 343 Q N -0.408 119.500 119.800 0.179 0.000 2.606 343 Q HA 0.200 4.554 4.340 0.024 0.000 0.215 343 Q C -0.614 175.505 176.000 0.199 0.000 0.908 343 Q CA 0.116 55.961 55.803 0.071 0.000 0.908 343 Q CB 0.620 29.383 28.738 0.042 0.000 1.120 343 Q HN 0.631 nan 8.270 nan 0.000 0.628 344 E N 1.498 121.803 120.200 0.175 0.000 2.166 344 E HA 0.276 4.640 4.350 0.024 0.000 0.275 344 E C -2.588 173.979 176.600 -0.055 0.000 0.941 344 E CA -2.476 53.956 56.400 0.054 0.000 0.784 344 E CB 1.345 31.038 29.700 -0.011 0.000 1.115 344 E HN -0.136 nan 8.360 nan 0.000 0.399 345 P HA -0.113 nan 4.420 nan 0.000 0.263 345 P C -0.198 176.780 177.300 -0.536 0.000 1.162 345 P CA 1.042 63.726 63.100 -0.694 0.000 0.758 345 P CB 0.011 31.155 31.700 -0.926 0.000 0.773 346 F N -0.877 118.786 119.950 -0.479 0.000 2.691 346 F HA -0.322 4.219 4.527 0.023 0.000 0.487 346 F C 0.905 176.577 175.800 -0.214 0.000 0.547 346 F CA 0.485 58.309 58.000 -0.294 0.000 0.988 346 F CB -1.143 37.743 39.000 -0.191 0.000 1.675 346 F HN 0.362 nan 8.300 nan 0.000 0.269 347 K N 2.493 122.890 120.400 -0.005 0.000 2.187 347 K HA 0.154 4.489 4.320 0.024 0.000 0.242 347 K C -0.124 176.508 176.600 0.052 0.000 1.179 347 K CA -0.308 55.983 56.287 0.007 0.000 1.097 347 K CB 0.042 32.555 32.500 0.021 0.000 1.634 347 K HN 0.078 nan 8.250 nan 0.000 0.335 348 N N 2.180 120.892 118.700 0.020 0.000 2.483 348 N HA -0.003 4.752 4.740 0.024 0.000 0.264 348 N C 1.056 176.710 175.510 0.242 0.000 1.197 348 N CA 0.165 53.298 53.050 0.140 0.000 0.927 348 N CB 0.895 39.432 38.487 0.084 0.000 1.065 348 N HN 0.319 nan 8.380 nan 0.000 0.461 349 L N 1.340 122.760 121.223 0.328 0.000 2.249 349 L HA 0.134 4.488 4.340 0.024 0.000 0.207 349 L C 0.879 178.071 176.870 0.536 0.000 1.090 349 L CA 0.777 55.893 54.840 0.460 0.000 0.802 349 L CB 0.039 42.335 42.059 0.395 0.000 0.947 349 L HN 0.553 nan 8.230 nan 0.000 0.453 350 K N -0.854 119.773 120.400 0.378 0.000 2.587 350 K HA 0.408 4.743 4.320 0.024 0.000 0.276 350 K C -1.135 175.516 176.600 0.085 0.000 0.956 350 K CA -0.442 55.976 56.287 0.220 0.000 0.857 350 K CB 1.769 34.342 32.500 0.122 0.000 1.431 350 K HN -0.056 nan 8.250 nan 0.000 0.420 351 T N -1.118 113.379 114.554 -0.095 0.000 2.778 351 T HA 0.947 5.311 4.350 0.024 0.000 0.293 351 T C -0.111 174.198 174.700 -0.651 0.000 1.144 351 T CA -0.443 61.435 62.100 -0.370 0.000 1.010 351 T CB 1.715 70.432 68.868 -0.251 0.000 1.325 351 T HN 1.024 nan 8.240 nan 0.000 0.515 352 G N -0.014 108.175 108.800 -1.017 0.000 2.328 352 G HA2 0.543 4.518 3.960 0.024 0.000 0.295 352 G HA3 0.543 4.518 3.960 0.024 0.000 0.295 352 G C -2.068 172.401 174.900 -0.718 0.000 1.413 352 G CA -0.598 43.998 45.100 -0.839 0.000 0.817 352 G HN 1.011 nan 8.290 nan 0.000 0.546 353 K N -1.276 118.896 120.400 -0.379 0.000 2.480 353 K HA 0.789 5.124 4.320 0.024 0.000 0.258 353 K C -1.947 174.523 176.600 -0.217 0.000 0.990 353 K CA -1.093 55.074 56.287 -0.200 0.000 0.857 353 K CB 2.216 34.660 32.500 -0.094 0.000 1.384 353 K HN 0.409 nan 8.250 nan 0.000 0.446 354 Y N 0.548 120.985 120.300 0.229 0.000 2.341 354 Y HA 0.475 5.039 4.550 0.023 0.000 0.338 354 Y C 0.091 176.090 175.900 0.166 0.000 0.965 354 Y CA -0.800 57.414 58.100 0.190 0.000 1.108 354 Y CB 2.092 40.671 38.460 0.199 0.000 1.180 354 Y HN 0.858 nan 8.280 nan 0.000 0.458 355 A N 3.319 126.299 122.820 0.267 0.000 2.483 355 A HA 0.277 4.612 4.320 0.024 0.000 0.238 355 A C 0.471 178.152 177.584 0.161 0.000 1.070 355 A CA -0.580 51.553 52.037 0.160 0.000 0.770 355 A CB 0.008 19.076 19.000 0.115 0.000 1.008 355 A HN 0.871 nan 8.150 nan 0.000 0.497 356 R N 2.654 123.211 120.500 0.096 0.000 2.549 356 R HA -0.004 4.350 4.340 0.024 0.000 0.336 356 R C -0.030 176.318 176.300 0.080 0.000 0.891 356 R CA 0.516 56.659 56.100 0.072 0.000 1.102 356 R CB -0.091 30.219 30.300 0.016 0.000 0.899 356 R HN 0.623 nan 8.270 nan 0.000 0.407 357 M N 7.386 127.047 119.600 0.101 0.000 2.974 357 M HA 0.074 4.568 4.480 0.024 0.000 0.301 357 M C -0.122 176.210 176.300 0.053 0.000 1.409 357 M CA -0.486 54.858 55.300 0.072 0.000 1.515 357 M CB 0.151 32.791 32.600 0.066 0.000 1.163 357 M HN 0.590 nan 8.290 nan 0.000 0.520 358 R N 2.419 122.944 120.500 0.041 0.000 2.816 358 R HA 0.121 4.476 4.340 0.024 0.000 0.344 358 R C 0.098 176.421 176.300 0.037 0.000 1.065 358 R CA 0.119 56.238 56.100 0.033 0.000 0.995 358 R CB -1.692 28.623 30.300 0.025 0.000 0.984 358 R HN 0.546 nan 8.270 nan 0.000 0.435 359 G N 0.925 109.749 108.800 0.041 0.000 2.531 359 G HA2 0.454 4.429 3.960 0.024 0.000 0.313 359 G HA3 0.454 4.429 3.960 0.024 0.000 0.313 359 G C 0.600 175.542 174.900 0.069 0.000 1.238 359 G CA -0.315 44.811 45.100 0.044 0.000 0.994 359 G HN 0.559 nan 8.290 nan 0.000 0.493 360 A N -1.044 121.832 122.820 0.094 0.000 2.016 360 A HA 0.327 4.662 4.320 0.024 0.000 0.217 360 A C 0.737 178.540 177.584 0.364 0.000 1.162 360 A CA 1.789 53.954 52.037 0.214 0.000 0.662 360 A CB -0.649 18.524 19.000 0.289 0.000 0.812 360 A HN 1.463 nan 8.150 nan 0.000 0.450 361 H N -3.829 115.262 119.070 0.035 0.000 3.853 361 H HA 0.415 4.985 4.556 0.024 0.000 0.479 361 H C -0.672 174.714 175.328 0.097 0.000 1.796 361 H CA -0.323 55.749 56.048 0.041 0.000 1.638 361 H CB -0.549 29.212 29.762 -0.001 0.000 2.949 361 H HN 0.152 nan 8.280 nan 0.000 0.385 362 T N 1.022 115.625 114.554 0.081 0.000 2.696 362 T HA 0.644 5.008 4.350 0.024 0.000 0.291 362 T C -0.508 174.261 174.700 0.115 0.000 1.095 362 T CA -0.783 61.372 62.100 0.092 0.000 1.026 362 T CB 1.775 70.678 68.868 0.060 0.000 1.390 362 T HN 0.869 nan 8.240 nan 0.000 0.513 363 N N -1.421 117.335 118.700 0.094 0.000 2.357 363 N HA 0.396 5.151 4.740 0.024 0.000 0.284 363 N C -0.231 175.289 175.510 0.017 0.000 1.236 363 N CA -0.764 52.328 53.050 0.070 0.000 0.774 363 N CB 1.128 39.661 38.487 0.077 0.000 1.534 363 N HN 0.398 nan 8.380 nan 0.000 0.478 364 D N 0.317 120.771 120.400 0.090 0.000 2.158 364 D HA -0.130 4.525 4.640 0.024 0.000 0.197 364 D C 1.616 177.895 176.300 -0.034 0.000 0.995 364 D CA 1.311 55.409 54.000 0.163 0.000 0.846 364 D CB -0.151 40.809 40.800 0.266 0.000 0.941 364 D HN 0.414 nan 8.370 nan 0.000 0.456 365 V N 0.683 120.396 119.914 -0.334 0.000 2.515 365 V HA -0.218 3.917 4.120 0.024 0.000 0.250 365 V C 2.314 177.932 176.094 -0.794 0.000 1.058 365 V CA 1.339 63.245 62.300 -0.656 0.000 1.064 365 V CB -0.431 30.683 31.823 -1.181 0.000 0.675 365 V HN 0.066 nan 8.190 nan 0.000 0.461 366 K N 0.695 120.676 120.400 -0.699 0.000 2.025 366 K HA -0.150 4.184 4.320 0.024 0.000 0.207 366 K C 2.188 178.615 176.600 -0.290 0.000 1.049 366 K CA 1.621 57.656 56.287 -0.420 0.000 0.933 366 K CB -0.453 31.967 32.500 -0.134 0.000 0.714 366 K HN 0.500 nan 8.250 nan 0.000 0.438 367 Q N 0.015 119.701 119.800 -0.189 0.000 2.119 367 Q HA -0.113 4.242 4.340 0.024 0.000 0.201 367 Q C 2.032 177.668 176.000 -0.607 0.000 0.972 367 Q CA 1.167 56.858 55.803 -0.188 0.000 0.847 367 Q CB -0.184 28.667 28.738 0.189 0.000 0.903 367 Q HN 0.339 nan 8.270 nan 0.000 0.433 368 L N 0.493 121.282 121.223 -0.724 0.000 1.990 368 L HA -0.243 4.112 4.340 0.024 0.000 0.213 368 L C 2.183 178.521 176.870 -0.886 0.000 1.072 368 L CA 1.777 55.922 54.840 -1.159 0.000 0.755 368 L CB -0.739 40.878 42.059 -0.736 0.000 0.889 368 L HN 0.268 nan 8.230 nan 0.000 0.432 369 T N -0.097 114.054 114.554 -0.673 0.000 2.680 369 T HA -0.278 4.086 4.350 0.024 0.000 0.268 369 T C 1.634 176.034 174.700 -0.500 0.000 1.033 369 T CA 2.120 63.883 62.100 -0.561 0.000 1.152 369 T CB -0.153 68.532 68.868 -0.306 0.000 0.859 369 T HN 0.469 nan 8.240 nan 0.000 0.452 370 E N 0.302 120.228 120.200 -0.456 0.000 2.107 370 E HA 0.032 4.397 4.350 0.024 0.000 0.191 370 E C 2.530 178.818 176.600 -0.520 0.000 0.982 370 E CA 0.797 56.955 56.400 -0.403 0.000 0.809 370 E CB -0.178 29.336 29.700 -0.310 0.000 0.756 370 E HN 0.475 nan 8.360 nan 0.000 0.459 371 A N 0.922 123.345 122.820 -0.662 0.000 1.972 371 A HA -0.145 4.190 4.320 0.024 0.000 0.219 371 A C 2.438 179.718 177.584 -0.506 0.000 1.169 371 A CA 1.074 52.739 52.037 -0.620 0.000 0.635 371 A CB -0.526 18.074 19.000 -0.666 0.000 0.810 371 A HN 0.114 nan 8.150 nan 0.000 0.446 372 V N 0.024 119.563 119.914 -0.626 0.000 2.427 372 V HA -0.247 3.888 4.120 0.024 0.000 0.248 372 V C 2.737 178.539 176.094 -0.487 0.000 1.051 372 V CA 2.052 63.913 62.300 -0.732 0.000 1.048 372 V CB -0.670 30.516 31.823 -1.062 0.000 0.666 372 V HN 0.693 nan 8.190 nan 0.000 0.456 373 Q N 0.746 120.299 119.800 -0.413 0.000 2.020 373 Q HA -0.228 4.126 4.340 0.024 0.000 0.202 373 Q C 2.314 178.182 176.000 -0.220 0.000 0.982 373 Q CA 1.869 57.512 55.803 -0.267 0.000 0.838 373 Q CB -0.136 28.467 28.738 -0.226 0.000 0.899 373 Q HN 0.622 nan 8.270 nan 0.000 0.423 374 K N 0.246 120.465 120.400 -0.302 0.000 2.001 374 K HA -0.159 4.176 4.320 0.024 0.000 0.214 374 K C 2.363 178.883 176.600 -0.133 0.000 1.050 374 K CA 1.697 57.824 56.287 -0.266 0.000 0.934 374 K CB -0.444 31.713 32.500 -0.572 0.000 0.718 374 K HN 0.257 nan 8.250 nan 0.000 0.443 375 I N 1.453 121.937 120.570 -0.144 0.000 2.194 375 I HA -0.324 3.860 4.170 0.024 0.000 0.246 375 I C 2.349 178.481 176.117 0.025 0.000 1.093 375 I CA 1.530 62.766 61.300 -0.106 0.000 1.355 375 I CB -0.737 37.191 38.000 -0.119 0.000 1.046 375 I HN 0.273 nan 8.210 nan 0.000 0.413 376 T N -0.206 114.381 114.554 0.055 0.000 2.652 376 T HA -0.197 4.167 4.350 0.024 0.000 0.267 376 T C 1.904 176.627 174.700 0.037 0.000 1.039 376 T CA 2.166 64.317 62.100 0.085 0.000 1.153 376 T CB -0.582 68.312 68.868 0.044 0.000 0.863 376 T HN 0.372 nan 8.240 nan 0.000 0.428 377 T N 1.554 116.104 114.554 -0.005 0.000 2.684 377 T HA -0.122 4.242 4.350 0.024 0.000 0.267 377 T C 1.912 176.602 174.700 -0.016 0.000 1.036 377 T CA 1.477 63.571 62.100 -0.010 0.000 1.148 377 T CB -0.357 68.493 68.868 -0.029 0.000 0.863 377 T HN 0.506 nan 8.240 nan 0.000 0.436 378 E N 0.663 120.848 120.200 -0.025 0.000 2.065 378 E HA -0.186 4.178 4.350 0.024 0.000 0.201 378 E C 2.429 178.978 176.600 -0.086 0.000 1.016 378 E CA 1.676 58.042 56.400 -0.057 0.000 0.818 378 E CB -0.078 29.599 29.700 -0.039 0.000 0.749 378 E HN 0.424 nan 8.360 nan 0.000 0.453 379 S N 0.692 116.413 115.700 0.035 0.000 2.359 379 S HA -0.182 4.303 4.470 0.024 0.000 0.224 379 S C 1.997 176.681 174.600 0.140 0.000 1.035 379 S CA 1.138 59.467 58.200 0.216 0.000 1.018 379 S CB -0.264 63.112 63.200 0.294 0.000 0.876 379 S HN 0.271 nan 8.310 nan 0.000 0.448 380 I N 1.739 122.353 120.570 0.075 0.000 2.151 380 I HA -0.155 4.030 4.170 0.024 0.000 0.243 380 I C 2.367 178.486 176.117 0.004 0.000 1.080 380 I CA 1.169 62.501 61.300 0.054 0.000 1.339 380 I CB -1.665 36.358 38.000 0.038 0.000 1.039 380 I HN 0.170 nan 8.210 nan 0.000 0.409 381 V N 1.451 121.337 119.914 -0.048 0.000 2.220 381 V HA -0.285 3.850 4.120 0.024 0.000 0.246 381 V C 2.519 178.511 176.094 -0.169 0.000 1.049 381 V CA 1.973 64.221 62.300 -0.087 0.000 1.003 381 V CB -0.533 31.234 31.823 -0.093 0.000 0.634 381 V HN 0.256 nan 8.190 nan 0.000 0.444 382 I N -1.269 119.094 120.570 -0.344 0.000 2.127 382 I HA -0.270 3.914 4.170 0.024 0.000 0.241 382 I C 2.134 177.884 176.117 -0.612 0.000 1.075 382 I CA 2.023 62.926 61.300 -0.661 0.000 1.334 382 I CB -0.341 36.863 38.000 -1.327 0.000 1.040 382 I HN 0.443 nan 8.210 nan 0.000 0.405 383 W N -0.018 121.181 121.300 -0.167 0.000 3.008 383 W HA 0.372 5.047 4.660 0.024 0.000 0.355 383 W C 1.490 177.942 176.519 -0.112 0.000 1.095 383 W CA 0.536 57.735 57.345 -0.245 0.000 1.738 383 W CB -0.296 28.849 29.460 -0.524 0.000 1.091 383 W HN 0.359 nan 8.180 nan 0.000 0.574 384 G N 2.020 110.894 108.800 0.124 0.000 2.166 384 G HA2 -0.319 3.656 3.960 0.024 0.000 0.260 384 G HA3 -0.319 3.656 3.960 0.024 0.000 0.260 384 G C 0.241 175.206 174.900 0.109 0.000 0.986 384 G CA 0.883 46.044 45.100 0.102 0.000 0.683 384 G HN 0.283 nan 8.290 nan 0.000 0.527 385 K N -1.237 119.237 120.400 0.123 0.000 2.439 385 K HA 0.740 5.075 4.320 0.024 0.000 0.260 385 K C -0.635 176.002 176.600 0.061 0.000 1.032 385 K CA -0.263 56.070 56.287 0.077 0.000 0.882 385 K CB 1.927 34.451 32.500 0.041 0.000 1.420 385 K HN 0.291 nan 8.250 nan 0.000 0.455 386 T N 0.525 115.087 114.554 0.012 0.000 2.841 386 T HA 0.446 4.811 4.350 0.024 0.000 0.285 386 T C -2.753 171.868 174.700 -0.133 0.000 0.991 386 T CA -1.965 60.129 62.100 -0.011 0.000 0.966 386 T CB 1.210 70.108 68.868 0.049 0.000 0.962 386 T HN 0.125 nan 8.240 nan 0.000 0.438 387 P HA 0.175 nan 4.420 nan 0.000 0.266 387 P C -0.812 176.137 177.300 -0.584 0.000 1.186 387 P CA -0.221 62.547 63.100 -0.554 0.000 0.767 387 P CB 0.358 31.530 31.700 -0.879 0.000 0.820 388 K N 2.894 123.012 120.400 -0.471 0.000 2.201 388 K HA 0.356 4.691 4.320 0.024 0.000 0.278 388 K C -1.342 175.007 176.600 -0.417 0.000 1.027 388 K CA -0.084 56.031 56.287 -0.286 0.000 0.909 388 K CB -0.185 32.209 32.500 -0.175 0.000 1.062 388 K HN 0.168 nan 8.250 nan 0.000 0.465 389 F N 2.582 122.508 119.950 -0.040 0.000 2.397 389 F HA 0.430 4.970 4.527 0.022 0.000 0.331 389 F C 0.493 176.340 175.800 0.078 0.000 1.090 389 F CA -0.351 57.639 58.000 -0.017 0.000 1.065 389 F CB 1.646 40.600 39.000 -0.075 0.000 1.184 389 F HN 0.298 nan 8.300 nan 0.000 0.499 390 K N 4.316 124.864 120.400 0.248 0.000 2.507 390 K HA 0.541 4.876 4.320 0.024 0.000 0.253 390 K C -1.494 175.241 176.600 0.226 0.000 0.969 390 K CA -0.362 56.054 56.287 0.215 0.000 0.908 390 K CB 1.269 33.849 32.500 0.133 0.000 1.127 390 K HN 0.487 nan 8.250 nan 0.000 0.437 391 L N 4.146 125.535 121.223 0.277 0.000 2.362 391 L HA 0.450 4.804 4.340 0.024 0.000 0.275 391 L C -1.969 175.053 176.870 0.253 0.000 0.998 391 L CA -2.245 52.679 54.840 0.140 0.000 0.820 391 L CB 1.850 43.780 42.059 -0.214 0.000 1.270 391 L HN 0.377 nan 8.230 nan 0.000 0.415 392 P HA 0.104 nan 4.420 nan 0.000 0.232 392 P C -0.525 176.990 177.300 0.358 0.000 1.738 392 P CA 0.627 63.895 63.100 0.280 0.000 0.948 392 P CB 0.198 32.013 31.700 0.193 0.000 1.943 393 I N -0.369 120.477 120.570 0.460 0.000 2.644 393 I HA 0.204 4.389 4.170 0.024 0.000 0.291 393 I C -0.568 175.658 176.117 0.181 0.000 1.180 393 I CA -0.933 60.501 61.300 0.224 0.000 1.040 393 I CB 2.826 40.818 38.000 -0.014 0.000 1.255 393 I HN -0.162 nan 8.210 nan 0.000 0.422 394 Q N 6.119 125.789 119.800 -0.216 0.000 2.313 394 Q HA 0.145 4.500 4.340 0.024 0.000 0.266 394 Q C 0.621 176.669 176.000 0.080 0.000 0.989 394 Q CA -0.197 55.327 55.803 -0.465 0.000 0.890 394 Q CB 1.490 29.969 28.738 -0.431 0.000 1.200 394 Q HN 0.549 nan 8.270 nan 0.000 0.396 395 K N 2.266 122.738 120.400 0.120 0.000 2.218 395 K HA -0.218 4.117 4.320 0.024 0.000 0.205 395 K C 1.350 178.132 176.600 0.303 0.000 1.046 395 K CA 1.276 57.761 56.287 0.330 0.000 0.933 395 K CB 0.319 32.846 32.500 0.045 0.000 0.728 395 K HN 0.488 nan 8.250 nan 0.000 0.454 396 E N 0.024 120.294 120.200 0.117 0.000 2.072 396 E HA -0.079 4.286 4.350 0.024 0.000 0.191 396 E C 1.865 178.528 176.600 0.104 0.000 0.985 396 E CA 1.412 57.857 56.400 0.075 0.000 0.801 396 E CB -0.184 29.517 29.700 0.002 0.000 0.750 396 E HN 0.210 nan 8.360 nan 0.000 0.452 397 T N 0.406 115.029 114.554 0.116 0.000 2.708 397 T HA -0.168 4.196 4.350 0.024 0.000 0.266 397 T C 1.438 176.295 174.700 0.262 0.000 1.037 397 T CA 1.179 63.355 62.100 0.125 0.000 1.146 397 T CB -0.558 68.348 68.868 0.063 0.000 0.865 397 T HN 0.419 nan 8.240 nan 0.000 0.435 398 W N 2.116 123.527 121.300 0.185 0.000 2.311 398 W HA -0.276 4.397 4.660 0.022 0.000 0.326 398 W C 2.289 179.069 176.519 0.436 0.000 1.239 398 W CA 1.867 59.407 57.345 0.326 0.000 1.258 398 W CB -0.346 29.381 29.460 0.446 0.000 1.165 398 W HN 0.277 nan 8.180 nan 0.000 0.466 399 E N 0.043 120.334 120.200 0.151 0.000 2.065 399 E HA -0.260 4.104 4.350 0.024 0.000 0.201 399 E C 2.078 178.447 176.600 -0.386 0.000 1.016 399 E CA 3.340 59.594 56.400 -0.243 0.000 0.818 399 E CB -0.707 28.945 29.700 -0.080 0.000 0.749 399 E HN 0.101 nan 8.360 nan 0.000 0.453 400 T N -0.377 114.098 114.554 -0.131 0.000 2.759 400 T HA -0.176 4.188 4.350 0.024 0.000 0.269 400 T C 1.026 175.688 174.700 -0.062 0.000 1.042 400 T CA 1.431 63.469 62.100 -0.103 0.000 1.140 400 T CB -0.404 68.461 68.868 -0.005 0.000 0.864 400 T HN 0.420 nan 8.240 nan 0.000 0.455 401 W N 0.579 121.769 121.300 -0.183 0.000 2.573 401 W HA 0.043 4.721 4.660 0.030 0.000 0.317 401 W C 2.138 178.518 176.519 -0.231 0.000 1.128 401 W CA 0.854 58.115 57.345 -0.139 0.000 1.407 401 W CB -1.047 28.376 29.460 -0.062 0.000 1.201 401 W HN 0.315 nan 8.180 nan 0.000 0.474 402 W N 1.742 122.812 121.300 -0.383 0.000 2.277 402 W HA -0.360 4.313 4.660 0.021 0.000 0.327 402 W C 2.149 178.333 176.519 -0.557 0.000 1.284 402 W CA 3.457 60.315 57.345 -0.812 0.000 1.277 402 W CB -1.676 27.000 29.460 -1.306 0.000 1.141 402 W HN -0.007 nan 8.180 nan 0.000 0.482 403 T N 0.248 113.898 114.554 -1.506 0.000 2.896 403 T HA -0.246 4.119 4.350 0.024 0.000 0.270 403 T C 0.825 175.155 174.700 -0.616 0.000 1.104 403 T CA 2.058 63.322 62.100 -1.394 0.000 1.115 403 T CB -0.327 67.821 68.868 -1.200 0.000 0.843 403 T HN 0.230 nan 8.240 nan 0.000 0.523 404 E N -0.782 119.134 120.200 -0.473 0.000 2.714 404 E HA 0.284 4.649 4.350 0.024 0.000 0.219 404 E C -1.090 175.366 176.600 -0.239 0.000 0.979 404 E CA -0.327 55.903 56.400 -0.283 0.000 1.092 404 E CB 0.360 29.939 29.700 -0.201 0.000 1.049 404 E HN 0.513 nan 8.360 nan 0.000 0.487 405 Y N 0.811 120.784 120.300 -0.545 0.000 2.320 405 Y HA 0.113 4.679 4.550 0.026 0.000 0.334 405 Y C 1.113 176.794 175.900 -0.366 0.000 1.055 405 Y CA -1.009 56.744 58.100 -0.578 0.000 1.143 405 Y CB 0.518 38.249 38.460 -1.215 0.000 1.193 405 Y HN 0.207 nan 8.280 nan 0.000 0.477 406 W N 4.226 125.172 121.300 -0.590 0.000 2.361 406 W HA -0.170 4.505 4.660 0.024 0.000 0.270 406 W C -0.622 175.736 176.519 -0.269 0.000 1.210 406 W CA 0.597 57.698 57.345 -0.405 0.000 1.174 406 W CB -0.462 28.736 29.460 -0.437 0.000 1.131 406 W HN 0.590 nan 8.180 nan 0.000 0.575 407 Q N 0.888 119.980 119.800 -1.180 0.000 2.306 407 Q HA 0.565 4.919 4.340 0.024 0.000 0.265 407 Q C -0.376 175.451 176.000 -0.289 0.000 1.022 407 Q CA -0.575 54.692 55.803 -0.893 0.000 0.853 407 Q CB 2.109 30.032 28.738 -1.359 0.000 1.327 407 Q HN 0.031 nan 8.270 nan 0.000 0.449 408 A N 2.237 124.939 122.820 -0.196 0.000 2.492 408 A HA 0.392 4.727 4.320 0.024 0.000 0.254 408 A C -0.073 177.489 177.584 -0.037 0.000 1.091 408 A CA 0.473 52.461 52.037 -0.081 0.000 0.768 408 A CB 0.395 19.352 19.000 -0.071 0.000 1.028 408 A HN 0.673 nan 8.150 nan 0.000 0.498 409 T N 1.094 115.664 114.554 0.028 0.000 2.865 409 T HA 0.673 5.038 4.350 0.024 0.000 0.294 409 T C -1.803 173.048 174.700 0.252 0.000 1.119 409 T CA -0.424 61.760 62.100 0.140 0.000 1.007 409 T CB 1.037 70.038 68.868 0.221 0.000 1.225 409 T HN 1.280 nan 8.240 nan 0.000 0.515 410 W N 1.846 123.180 121.300 0.055 0.000 3.524 410 W HA 0.607 5.283 4.660 0.027 0.000 0.287 410 W C -2.605 173.820 176.519 -0.157 0.000 1.247 410 W CA -1.006 56.328 57.345 -0.018 0.000 1.197 410 W CB 0.776 30.175 29.460 -0.100 0.000 1.323 410 W HN 0.718 nan 8.180 nan 0.000 0.567 411 I N 6.073 126.131 120.570 -0.853 0.000 2.466 411 I HA 0.331 4.516 4.170 0.024 0.000 0.289 411 I C -1.910 173.346 176.117 -1.435 0.000 1.026 411 I CA -2.061 58.558 61.300 -1.136 0.000 1.078 411 I CB 1.997 39.160 38.000 -1.395 0.000 1.249 411 I HN 0.051 nan 8.210 nan 0.000 0.429 412 P HA -0.009 nan 4.420 nan 0.000 0.280 412 P C -0.320 176.792 177.300 -0.314 0.000 1.278 412 P CA -0.458 62.032 63.100 -1.016 0.000 0.787 412 P CB 0.398 31.837 31.700 -0.435 0.000 1.163 413 E N 0.886 121.032 120.200 -0.090 0.000 2.558 413 E HA -0.036 4.329 4.350 0.024 0.000 0.255 413 E C -0.851 175.872 176.600 0.206 0.000 0.968 413 E CA 0.455 56.884 56.400 0.048 0.000 0.939 413 E CB 0.098 29.812 29.700 0.025 0.000 0.921 413 E HN 0.354 nan 8.360 nan 0.000 0.477 414 W N 3.283 124.545 121.300 -0.064 0.000 2.988 414 W HA 0.534 5.204 4.660 0.018 0.000 0.355 414 W C -1.347 175.172 176.519 -0.000 0.000 1.233 414 W CA -0.914 56.424 57.345 -0.012 0.000 1.176 414 W CB 0.320 29.736 29.460 -0.073 0.000 1.477 414 W HN 0.581 nan 8.180 nan 0.000 0.582 415 E N 0.747 121.044 120.200 0.161 0.000 2.408 415 E HA 0.493 4.857 4.350 0.024 0.000 0.275 415 E C -2.030 174.723 176.600 0.255 0.000 0.935 415 E CA -0.695 55.676 56.400 -0.048 0.000 0.775 415 E CB 2.965 32.660 29.700 -0.007 0.000 1.277 415 E HN 0.198 nan 8.360 nan 0.000 0.455 416 F N 2.551 122.499 119.950 -0.003 0.000 2.406 416 F HA 0.518 5.051 4.527 0.010 0.000 0.327 416 F C -0.752 175.126 175.800 0.130 0.000 1.153 416 F CA -0.383 57.715 58.000 0.163 0.000 1.218 416 F CB 1.497 40.556 39.000 0.097 0.000 1.215 416 F HN 0.269 nan 8.300 nan 0.000 0.570 417 V N 6.073 125.555 119.914 -0.719 0.000 2.697 417 V HA 0.249 4.384 4.120 0.024 0.000 0.296 417 V C -1.087 174.417 176.094 -0.984 0.000 1.140 417 V CA -0.858 61.067 62.300 -0.626 0.000 0.921 417 V CB 1.434 33.163 31.823 -0.157 0.000 1.036 417 V HN 0.862 nan 8.190 nan 0.000 0.438 418 N N 4.222 122.359 118.700 -0.937 0.000 3.254 418 N HA 0.157 4.911 4.740 0.024 0.000 0.308 418 N C -0.079 175.341 175.510 -0.150 0.000 1.281 418 N CA 0.073 52.825 53.050 -0.496 0.000 1.212 418 N CB 0.087 38.436 38.487 -0.231 0.000 1.478 418 N HN 0.743 nan 8.380 nan 0.000 0.548 419 T N 2.943 117.443 114.554 -0.091 0.000 3.281 419 T HA 0.279 4.644 4.350 0.024 0.000 0.359 419 T C -2.355 172.360 174.700 0.025 0.000 1.459 419 T CA -1.132 60.956 62.100 -0.019 0.000 1.114 419 T CB 0.819 69.684 68.868 -0.005 0.000 1.162 419 T HN 0.276 nan 8.240 nan 0.000 0.665 420 P HA 0.010 nan 4.420 nan 0.000 0.269 420 P C -2.110 175.207 177.300 0.030 0.000 1.185 420 P CA -0.741 62.385 63.100 0.043 0.000 0.769 420 P CB -0.082 31.640 31.700 0.036 0.000 0.809 421 P HA 0.156 nan 4.420 nan 0.000 0.274 421 P C -0.631 176.706 177.300 0.062 0.000 1.231 421 P CA 0.063 63.188 63.100 0.043 0.000 0.790 421 P CB 0.742 32.468 31.700 0.043 0.000 0.951 422 L N 1.605 122.868 121.223 0.066 0.000 2.379 422 L HA 0.306 4.661 4.340 0.024 0.000 0.269 422 L C 0.698 177.594 176.870 0.043 0.000 1.084 422 L CA -1.151 53.747 54.840 0.097 0.000 0.802 422 L CB 1.653 43.786 42.059 0.124 0.000 1.175 422 L HN 0.246 nan 8.230 nan 0.000 0.448 423 V N 0.889 120.848 119.914 0.076 0.000 2.461 423 V HA 0.467 4.601 4.120 0.024 0.000 0.275 423 V C -0.171 175.882 176.094 -0.068 0.000 1.047 423 V CA -0.474 61.852 62.300 0.044 0.000 0.955 423 V CB 0.797 32.700 31.823 0.133 0.000 0.988 423 V HN 0.943 nan 8.190 nan 0.000 0.471 424 K N 4.740 125.012 120.400 -0.213 0.000 2.283 424 K HA 0.775 5.110 4.320 0.024 0.000 0.257 424 K C -1.327 175.045 176.600 -0.381 0.000 1.066 424 K CA -1.220 54.880 56.287 -0.312 0.000 0.891 424 K CB 1.988 34.224 32.500 -0.441 0.000 1.438 424 K HN 0.553 nan 8.250 nan 0.000 0.464 425 L N 1.735 122.762 121.223 -0.327 0.000 2.272 425 L HA 0.311 4.666 4.340 0.024 0.000 0.289 425 L C -0.027 176.646 176.870 -0.327 0.000 1.032 425 L CA -0.784 53.913 54.840 -0.237 0.000 0.810 425 L CB 0.653 42.652 42.059 -0.100 0.000 1.205 425 L HN 0.706 nan 8.230 nan 0.000 0.422 426 W N 3.157 124.386 121.300 -0.119 0.000 2.468 426 W HA -0.068 4.605 4.660 0.022 0.000 0.262 426 W C 0.287 176.862 176.519 0.092 0.000 1.241 426 W CA 0.298 57.635 57.345 -0.013 0.000 1.232 426 W CB -0.287 29.195 29.460 0.036 0.000 1.124 426 W HN 0.519 nan 8.180 nan 0.000 0.597 427 Y N -3.575 116.845 120.300 0.199 0.000 2.765 427 Y HA 0.470 5.035 4.550 0.024 0.000 0.350 427 Y C -1.278 174.702 175.900 0.134 0.000 1.196 427 Y CA -2.047 56.142 58.100 0.147 0.000 1.119 427 Y CB 0.347 38.901 38.460 0.157 0.000 1.368 427 Y HN -0.179 nan 8.280 nan 0.000 0.463 428 Q N 2.611 122.635 119.800 0.373 0.000 2.274 428 Q HA 0.535 4.890 4.340 0.024 0.000 0.268 428 Q C -1.379 174.811 176.000 0.316 0.000 1.015 428 Q CA -0.844 55.123 55.803 0.274 0.000 0.775 428 Q CB 2.924 31.748 28.738 0.143 0.000 1.256 428 Q HN 0.683 nan 8.270 nan 0.000 0.442 429 L N 1.998 123.418 121.223 0.327 0.000 2.461 429 L HA 0.096 4.450 4.340 0.024 0.000 0.272 429 L C 0.726 177.715 176.870 0.198 0.000 1.197 429 L CA -0.161 54.813 54.840 0.224 0.000 0.836 429 L CB 0.290 42.456 42.059 0.179 0.000 1.105 429 L HN 0.428 nan 8.230 nan 0.000 0.477 430 E N 1.625 121.957 120.200 0.221 0.000 2.398 430 E HA -0.031 4.334 4.350 0.024 0.000 0.263 430 E C 0.406 177.180 176.600 0.289 0.000 1.046 430 E CA 0.005 56.542 56.400 0.229 0.000 0.908 430 E CB 0.952 30.782 29.700 0.215 0.000 0.963 430 E HN 0.321 nan 8.360 nan 0.000 0.431 431 K N 1.026 121.519 120.400 0.155 0.000 2.228 431 K HA -0.035 4.300 4.320 0.024 0.000 0.202 431 K C 0.108 176.749 176.600 0.069 0.000 1.051 431 K CA 1.024 57.388 56.287 0.128 0.000 0.960 431 K CB 0.447 32.981 32.500 0.057 0.000 0.743 431 K HN 0.325 nan 8.250 nan 0.000 0.458 432 E N -0.603 119.524 120.200 -0.122 0.000 2.408 432 E HA 0.302 4.666 4.350 0.024 0.000 0.275 432 E C -2.730 173.326 176.600 -0.906 0.000 0.935 432 E CA -2.614 53.509 56.400 -0.462 0.000 0.775 432 E CB 1.213 30.771 29.700 -0.236 0.000 1.277 432 E HN -0.241 nan 8.360 nan 0.000 0.455 433 P HA 0.019 nan 4.420 nan 0.000 0.266 433 P C -0.299 176.820 177.300 -0.302 0.000 1.186 433 P CA 0.491 63.097 63.100 -0.825 0.000 0.767 433 P CB 0.325 31.786 31.700 -0.399 0.000 0.820 434 I N 2.168 122.682 120.570 -0.094 0.000 2.304 434 I HA 0.117 4.302 4.170 0.024 0.000 0.291 434 I C 0.128 176.237 176.117 -0.013 0.000 1.018 434 I CA -1.071 60.211 61.300 -0.030 0.000 1.260 434 I CB 0.828 38.848 38.000 0.033 0.000 1.390 434 I HN 0.013 nan 8.210 nan 0.000 0.475 435 V N 6.532 126.431 119.914 -0.025 0.000 2.540 435 V HA 0.166 4.301 4.120 0.024 0.000 0.297 435 V C 1.416 177.512 176.094 0.003 0.000 1.024 435 V CA 1.219 63.512 62.300 -0.013 0.000 1.105 435 V CB -0.014 31.799 31.823 -0.017 0.000 0.938 435 V HN 1.198 nan 8.190 nan 0.000 0.482 436 G N 3.622 112.427 108.800 0.008 0.000 2.640 436 G HA2 -0.198 3.777 3.960 0.024 0.000 0.226 436 G HA3 -0.198 3.777 3.960 0.024 0.000 0.226 436 G C 0.677 175.589 174.900 0.019 0.000 1.222 436 G CA 0.182 45.288 45.100 0.011 0.000 0.729 436 G HN 1.782 nan 8.290 nan 0.000 0.516 437 A N 1.120 123.958 122.820 0.030 0.000 2.561 437 A HA 0.442 4.776 4.320 0.024 0.000 0.234 437 A C 0.605 178.226 177.584 0.061 0.000 1.055 437 A CA 1.294 53.362 52.037 0.051 0.000 0.756 437 A CB 0.025 19.064 19.000 0.066 0.000 0.986 437 A HN 0.886 nan 8.150 nan 0.000 0.505 438 E N 0.501 120.740 120.200 0.065 0.000 2.436 438 E HA 0.155 4.520 4.350 0.024 0.000 0.262 438 E C -0.508 176.159 176.600 0.111 0.000 1.063 438 E CA 0.447 56.860 56.400 0.022 0.000 0.944 438 E CB 0.375 30.017 29.700 -0.097 0.000 0.950 438 E HN 0.532 nan 8.360 nan 0.000 0.444 439 T N 4.594 119.187 114.554 0.066 0.000 3.155 439 T HA 0.257 4.622 4.350 0.024 0.000 0.384 439 T C -1.130 173.732 174.700 0.271 0.000 1.351 439 T CA -0.455 61.760 62.100 0.191 0.000 1.198 439 T CB -0.313 68.680 68.868 0.209 0.000 1.106 439 T HN 0.226 nan 8.240 nan 0.000 0.564 440 F N 2.239 122.221 119.950 0.053 0.000 2.467 440 F HA 0.316 4.858 4.527 0.025 0.000 0.362 440 F C 0.280 176.156 175.800 0.127 0.000 1.090 440 F CA -0.996 57.055 58.000 0.085 0.000 1.202 440 F CB 0.227 39.157 39.000 -0.118 0.000 1.113 440 F HN 0.426 nan 8.300 nan 0.000 0.541 441 Y N 3.167 123.598 120.300 0.218 0.000 2.594 441 Y HA 0.389 4.954 4.550 0.025 0.000 0.342 441 Y C 0.185 176.177 175.900 0.153 0.000 1.010 441 Y CA -1.281 56.894 58.100 0.126 0.000 1.270 441 Y CB 0.411 38.910 38.460 0.066 0.000 1.125 441 Y HN 0.407 nan 8.280 nan 0.000 0.513 442 V N 0.141 120.176 119.914 0.202 0.000 2.686 442 V HA 0.635 4.769 4.120 0.024 0.000 0.295 442 V C -0.280 175.887 176.094 0.121 0.000 1.057 442 V CA -0.313 62.097 62.300 0.183 0.000 1.012 442 V CB 1.888 33.779 31.823 0.113 0.000 1.006 442 V HN 0.603 nan 8.190 nan 0.000 0.477 443 D N 1.508 121.981 120.400 0.121 0.000 2.706 443 D HA 0.638 5.293 4.640 0.024 0.000 0.225 443 D C -0.693 175.646 176.300 0.066 0.000 1.241 443 D CA 0.092 54.139 54.000 0.079 0.000 0.784 443 D CB 2.383 43.220 40.800 0.062 0.000 1.521 443 D HN 1.144 nan 8.370 nan 0.000 0.461 444 G N -0.142 108.691 108.800 0.054 0.000 2.682 444 G HA2 0.748 4.723 3.960 0.024 0.000 0.300 444 G HA3 0.748 4.723 3.960 0.024 0.000 0.300 444 G C -1.636 173.285 174.900 0.036 0.000 1.391 444 G CA -0.469 44.659 45.100 0.046 0.000 0.990 444 G HN 0.466 nan 8.290 nan 0.000 0.501 445 A N 0.053 122.890 122.820 0.028 0.000 2.459 445 A HA 0.982 5.317 4.320 0.024 0.000 0.296 445 A C -0.434 177.161 177.584 0.018 0.000 1.039 445 A CA -0.023 52.028 52.037 0.022 0.000 0.698 445 A CB 1.635 20.646 19.000 0.018 0.000 1.261 445 A HN 2.278 nan 8.150 nan 0.000 0.405 446 A N 1.982 124.812 122.820 0.016 0.000 2.486 446 A HA 0.701 5.035 4.320 0.024 0.000 0.300 446 A C -0.724 176.865 177.584 0.009 0.000 1.048 446 A CA -0.685 51.360 52.037 0.013 0.000 0.696 446 A CB 1.139 20.148 19.000 0.015 0.000 1.278 446 A HN 0.763 nan 8.150 nan 0.000 0.405 447 N N 1.808 120.513 118.700 0.008 0.000 2.402 447 N HA -0.001 4.754 4.740 0.024 0.000 0.259 447 N C 1.293 176.806 175.510 0.005 0.000 1.167 447 N CA -0.426 52.627 53.050 0.006 0.000 0.949 447 N CB 0.686 39.176 38.487 0.005 0.000 1.212 447 N HN 0.682 nan 8.380 nan 0.000 0.493 448 R N 3.508 124.009 120.500 0.003 0.000 2.139 448 R HA -0.156 4.199 4.340 0.024 0.000 0.243 448 R C 0.885 177.186 176.300 0.001 0.000 1.145 448 R CA 1.334 57.434 56.100 0.001 0.000 0.976 448 R CB -0.479 29.819 30.300 -0.004 0.000 0.866 448 R HN 0.581 nan 8.270 nan 0.000 0.449 449 E N 0.658 120.859 120.200 0.002 0.000 2.051 449 E HA -0.079 4.286 4.350 0.024 0.000 0.189 449 E C 1.928 178.530 176.600 0.003 0.000 0.979 449 E CA 1.714 58.116 56.400 0.002 0.000 0.803 449 E CB -0.002 29.699 29.700 0.002 0.000 0.761 449 E HN 0.623 nan 8.360 nan 0.000 0.451 450 T N -1.175 113.381 114.554 0.004 0.000 2.985 450 T HA -0.042 4.322 4.350 0.024 0.000 0.266 450 T C 0.710 175.413 174.700 0.005 0.000 1.076 450 T CA 0.581 62.684 62.100 0.004 0.000 1.135 450 T CB -0.147 68.724 68.868 0.004 0.000 0.890 450 T HN 0.061 nan 8.240 nan 0.000 0.480 451 K N 0.566 120.970 120.400 0.006 0.000 3.167 451 K HA -0.095 4.240 4.320 0.024 0.000 0.272 451 K C -0.763 175.842 176.600 0.009 0.000 1.137 451 K CA 0.065 56.356 56.287 0.008 0.000 0.800 451 K CB -1.717 30.787 32.500 0.007 0.000 1.253 451 K HN 0.344 nan 8.250 nan 0.000 0.497 452 L N 0.484 121.712 121.223 0.009 0.000 2.365 452 L HA 0.781 5.136 4.340 0.024 0.000 0.273 452 L C 0.508 177.384 176.870 0.011 0.000 1.000 452 L CA 0.327 55.172 54.840 0.009 0.000 0.819 452 L CB 1.680 43.743 42.059 0.007 0.000 1.284 452 L HN 0.351 nan 8.230 nan 0.000 0.418 453 G N 3.587 112.394 108.800 0.013 0.000 2.606 453 G HA2 0.647 4.622 3.960 0.024 0.000 0.300 453 G HA3 0.647 4.622 3.960 0.024 0.000 0.300 453 G C -1.835 173.074 174.900 0.015 0.000 1.360 453 G CA -0.524 44.584 45.100 0.014 0.000 0.783 453 G HN 0.419 nan 8.290 nan 0.000 0.484 454 K N -1.253 119.157 120.400 0.016 0.000 2.508 454 K HA 0.828 5.162 4.320 0.024 0.000 0.260 454 K C -0.908 175.706 176.600 0.023 0.000 0.949 454 K CA -0.344 55.951 56.287 0.014 0.000 0.834 454 K CB 2.676 35.178 32.500 0.003 0.000 1.365 454 K HN 1.176 nan 8.250 nan 0.000 0.437 455 A N 1.067 123.903 122.820 0.026 0.000 2.768 455 A HA 0.671 5.005 4.320 0.024 0.000 0.298 455 A C -0.581 177.030 177.584 0.045 0.000 1.159 455 A CA -0.265 51.799 52.037 0.046 0.000 0.783 455 A CB 0.588 19.627 19.000 0.065 0.000 1.333 455 A HN 0.667 nan 8.150 nan 0.000 0.412 456 G N 0.417 109.233 108.800 0.027 0.000 2.788 456 G HA2 0.777 4.751 3.960 0.024 0.000 0.293 456 G HA3 0.777 4.751 3.960 0.024 0.000 0.293 456 G C -0.923 174.027 174.900 0.082 0.000 1.305 456 G CA -0.640 44.441 45.100 -0.031 0.000 1.005 456 G HN 1.390 nan 8.290 nan 0.000 0.496 457 Y N -2.100 118.262 120.300 0.103 0.000 2.581 457 Y HA 0.753 5.318 4.550 0.025 0.000 0.345 457 Y C -0.902 175.082 175.900 0.141 0.000 1.036 457 Y CA -1.968 56.231 58.100 0.164 0.000 1.042 457 Y CB 1.778 40.406 38.460 0.279 0.000 1.289 457 Y HN 0.483 nan 8.280 nan 0.000 0.471 458 V N 1.109 121.271 119.914 0.414 0.000 2.488 458 V HA 0.551 4.686 4.120 0.024 0.000 0.293 458 V C -0.035 176.174 176.094 0.193 0.000 1.027 458 V CA -0.319 62.114 62.300 0.221 0.000 0.862 458 V CB 0.694 32.550 31.823 0.055 0.000 1.008 458 V HN 1.114 nan 8.190 nan 0.000 0.428 459 T N 0.714 115.308 114.554 0.066 0.000 2.902 459 T HA 0.239 4.604 4.350 0.024 0.000 0.280 459 T C 1.378 176.023 174.700 -0.091 0.000 0.992 459 T CA 0.058 62.098 62.100 -0.100 0.000 1.015 459 T CB 1.293 69.826 68.868 -0.559 0.000 1.044 459 T HN 0.734 nan 8.240 nan 0.000 0.520 460 N N 2.328 120.989 118.700 -0.065 0.000 2.149 460 N HA -0.199 4.556 4.740 0.024 0.000 0.188 460 N C 1.425 176.887 175.510 -0.079 0.000 1.019 460 N CA 1.191 54.200 53.050 -0.069 0.000 0.857 460 N CB -0.540 37.940 38.487 -0.011 0.000 0.997 460 N HN 0.703 nan 8.380 nan 0.000 0.426 461 R N -0.014 120.426 120.500 -0.101 0.000 2.369 461 R HA 0.060 4.414 4.340 0.024 0.000 0.200 461 R C 1.231 177.483 176.300 -0.080 0.000 1.046 461 R CA 0.517 56.562 56.100 -0.092 0.000 1.057 461 R CB -0.248 29.982 30.300 -0.116 0.000 0.888 461 R HN 0.596 nan 8.270 nan 0.000 0.474 462 G N 1.132 109.886 108.800 -0.077 0.000 2.420 462 G HA2 -0.363 3.612 3.960 0.024 0.000 0.221 462 G HA3 -0.363 3.612 3.960 0.024 0.000 0.221 462 G C 0.274 175.151 174.900 -0.039 0.000 1.117 462 G CA -0.023 45.044 45.100 -0.055 0.000 0.657 462 G HN 0.404 nan 8.290 nan 0.000 0.512 463 R N 2.274 122.750 120.500 -0.041 0.000 2.500 463 R HA 0.207 4.561 4.340 0.024 0.000 0.281 463 R C 0.476 176.824 176.300 0.079 0.000 0.953 463 R CA 1.645 57.756 56.100 0.019 0.000 1.108 463 R CB -0.087 30.219 30.300 0.010 0.000 0.901 463 R HN 0.735 nan 8.270 nan 0.000 0.410 464 Q N 2.669 122.491 119.800 0.036 0.000 2.553 464 Q HA 0.609 4.963 4.340 0.024 0.000 0.293 464 Q C -1.455 174.360 176.000 -0.307 0.000 1.038 464 Q CA -1.257 54.484 55.803 -0.103 0.000 0.777 464 Q CB 2.521 31.207 28.738 -0.086 0.000 1.487 464 Q HN 0.571 nan 8.270 nan 0.000 0.426 465 K N -0.185 119.884 120.400 -0.551 0.000 2.711 465 K HA 0.654 4.989 4.320 0.024 0.000 0.294 465 K C -2.166 174.200 176.600 -0.389 0.000 1.037 465 K CA -0.600 55.377 56.287 -0.517 0.000 0.858 465 K CB 2.426 34.477 32.500 -0.749 0.000 1.521 465 K HN 0.500 nan 8.250 nan 0.000 0.386 466 V N 1.027 120.807 119.914 -0.223 0.000 3.106 466 V HA 0.401 4.536 4.120 0.024 0.000 0.280 466 V C -1.547 174.505 176.094 -0.070 0.000 1.525 466 V CA -0.910 61.315 62.300 -0.124 0.000 0.999 466 V CB 2.094 33.865 31.823 -0.086 0.000 1.186 466 V HN 0.531 nan 8.190 nan 0.000 0.448 467 V N 1.567 121.461 119.914 -0.033 0.000 2.789 467 V HA 0.630 4.764 4.120 0.024 0.000 0.311 467 V C -0.206 175.888 176.094 -0.000 0.000 1.073 467 V CA -0.524 61.770 62.300 -0.010 0.000 0.921 467 V CB 2.720 34.549 31.823 0.010 0.000 1.009 467 V HN 0.946 nan 8.190 nan 0.000 0.426 468 T N 5.615 120.171 114.554 0.002 0.000 2.767 468 T HA 0.640 5.005 4.350 0.024 0.000 0.284 468 T C -0.433 174.275 174.700 0.013 0.000 0.973 468 T CA -0.216 61.887 62.100 0.006 0.000 0.996 468 T CB 0.549 69.418 68.868 0.002 0.000 0.927 468 T HN 0.323 nan 8.240 nan 0.000 0.456 469 L N 3.550 124.783 121.223 0.017 0.000 2.334 469 L HA 0.563 4.918 4.340 0.024 0.000 0.276 469 L C 0.762 177.642 176.870 0.017 0.000 1.014 469 L CA -0.994 53.859 54.840 0.021 0.000 0.815 469 L CB 1.975 44.051 42.059 0.028 0.000 1.268 469 L HN 0.705 nan 8.230 nan 0.000 0.428 470 T N -1.966 112.598 114.554 0.016 0.000 2.867 470 T HA 0.356 4.721 4.350 0.024 0.000 0.282 470 T C -0.287 174.421 174.700 0.014 0.000 1.000 470 T CA -0.605 61.503 62.100 0.013 0.000 1.042 470 T CB 1.542 70.417 68.868 0.012 0.000 0.973 470 T HN 0.653 nan 8.240 nan 0.000 0.465 471 D N 0.262 120.670 120.400 0.012 0.000 3.729 471 D HA -0.161 4.493 4.640 0.024 0.000 0.242 471 D C -0.594 175.714 176.300 0.014 0.000 1.091 471 D CA 1.749 55.756 54.000 0.012 0.000 1.096 471 D CB -1.115 39.691 40.800 0.011 0.000 0.901 471 D HN 1.062 nan 8.370 nan 0.000 0.416 472 T N 1.615 116.178 114.554 0.014 0.000 3.159 472 T HA 0.515 4.879 4.350 0.024 0.000 0.343 472 T C -0.840 173.868 174.700 0.013 0.000 1.364 472 T CA -0.135 61.974 62.100 0.016 0.000 1.102 472 T CB 1.568 70.449 68.868 0.022 0.000 1.263 472 T HN 0.147 nan 8.240 nan 0.000 0.477 473 T N 3.750 118.311 114.554 0.012 0.000 2.829 473 T HA 0.297 4.662 4.350 0.024 0.000 0.282 473 T C 1.748 176.453 174.700 0.008 0.000 0.990 473 T CA -0.218 61.885 62.100 0.004 0.000 1.028 473 T CB 0.837 69.703 68.868 -0.004 0.000 0.951 473 T HN 0.840 nan 8.240 nan 0.000 0.460 474 N N 3.364 122.067 118.700 0.005 0.000 2.249 474 N HA -0.299 4.455 4.740 0.024 0.000 0.201 474 N C 1.379 176.902 175.510 0.022 0.000 0.970 474 N CA 1.717 54.774 53.050 0.012 0.000 0.925 474 N CB -0.389 38.101 38.487 0.005 0.000 1.046 474 N HN 0.518 nan 8.380 nan 0.000 0.526 475 Q N 0.117 119.925 119.800 0.013 0.000 2.170 475 Q HA 0.060 4.414 4.340 0.024 0.000 0.203 475 Q C 1.746 177.789 176.000 0.071 0.000 0.976 475 Q CA 1.500 57.329 55.803 0.043 0.000 0.858 475 Q CB -0.021 28.732 28.738 0.026 0.000 0.907 475 Q HN 0.637 nan 8.270 nan 0.000 0.433 476 K N -1.067 119.362 120.400 0.049 0.000 2.137 476 K HA -0.030 4.304 4.320 0.024 0.000 0.202 476 K C 2.088 178.720 176.600 0.053 0.000 1.052 476 K CA 1.407 57.721 56.287 0.045 0.000 0.961 476 K CB -0.047 32.472 32.500 0.031 0.000 0.741 476 K HN 0.369 nan 8.250 nan 0.000 0.452 477 T N 0.463 115.047 114.554 0.049 0.000 2.569 477 T HA -0.190 4.174 4.350 0.024 0.000 0.263 477 T C 1.689 176.429 174.700 0.067 0.000 1.074 477 T CA 1.152 63.285 62.100 0.055 0.000 1.176 477 T CB -0.619 68.275 68.868 0.043 0.000 0.863 477 T HN 0.214 nan 8.240 nan 0.000 0.410 478 E N 1.553 121.791 120.200 0.064 0.000 2.110 478 E HA -0.221 4.144 4.350 0.024 0.000 0.225 478 E C 2.294 178.940 176.600 0.077 0.000 1.063 478 E CA 2.039 58.483 56.400 0.073 0.000 0.906 478 E CB -0.700 29.049 29.700 0.081 0.000 0.795 478 E HN 0.484 nan 8.360 nan 0.000 0.479 479 L N 0.449 121.718 121.223 0.077 0.000 2.042 479 L HA -0.248 4.106 4.340 0.024 0.000 0.210 479 L C 2.801 179.727 176.870 0.094 0.000 1.076 479 L CA 1.186 56.064 54.840 0.064 0.000 0.749 479 L CB -0.500 41.583 42.059 0.039 0.000 0.893 479 L HN 0.153 nan 8.230 nan 0.000 0.432 480 Q N 0.405 120.267 119.800 0.103 0.000 2.084 480 Q HA -0.171 4.184 4.340 0.024 0.000 0.202 480 Q C 2.162 178.260 176.000 0.163 0.000 0.978 480 Q CA 2.010 57.912 55.803 0.165 0.000 0.844 480 Q CB -0.417 28.397 28.738 0.127 0.000 0.898 480 Q HN 0.437 nan 8.270 nan 0.000 0.426 481 A N 0.828 123.718 122.820 0.115 0.000 1.859 481 A HA -0.263 4.071 4.320 0.024 0.000 0.218 481 A C 2.155 179.797 177.584 0.096 0.000 1.242 481 A CA 2.118 54.223 52.037 0.114 0.000 0.661 481 A CB -1.283 17.774 19.000 0.096 0.000 0.842 481 A HN 0.489 nan 8.150 nan 0.000 0.455 482 I N -1.744 118.862 120.570 0.061 0.000 2.236 482 I HA -0.328 3.857 4.170 0.024 0.000 0.249 482 I C 2.505 178.623 176.117 0.001 0.000 1.102 482 I CA 2.147 63.446 61.300 -0.002 0.000 1.365 482 I CB -0.514 37.490 38.000 0.006 0.000 1.051 482 I HN 0.616 nan 8.210 nan 0.000 0.420 483 Y N 1.682 121.947 120.300 -0.058 0.000 2.145 483 Y HA -0.202 4.362 4.550 0.024 0.000 0.286 483 Y C 2.278 178.136 175.900 -0.072 0.000 1.145 483 Y CA 1.354 59.415 58.100 -0.065 0.000 1.148 483 Y CB -0.563 37.879 38.460 -0.030 0.000 0.981 483 Y HN 0.011 nan 8.280 nan 0.000 0.507 484 L N -0.145 120.970 121.223 -0.181 0.000 1.970 484 L HA -0.287 4.068 4.340 0.024 0.000 0.212 484 L C 2.780 179.470 176.870 -0.299 0.000 1.071 484 L CA 1.592 56.324 54.840 -0.180 0.000 0.751 484 L CB -1.267 40.885 42.059 0.155 0.000 0.889 484 L HN 0.294 nan 8.230 nan 0.000 0.432 485 A N -0.250 122.331 122.820 -0.398 0.000 2.042 485 A HA -0.222 4.113 4.320 0.024 0.000 0.222 485 A C 2.198 179.157 177.584 -1.042 0.000 1.167 485 A CA 1.830 53.221 52.037 -1.076 0.000 0.649 485 A CB -0.698 17.808 19.000 -0.825 0.000 0.809 485 A HN 0.419 nan 8.150 nan 0.000 0.457 486 L N -0.967 119.925 121.223 -0.552 0.000 2.102 486 L HA -0.183 4.172 4.340 0.024 0.000 0.202 486 L C 2.966 179.652 176.870 -0.307 0.000 1.076 486 L CA 1.370 55.979 54.840 -0.385 0.000 0.761 486 L CB -0.598 41.348 42.059 -0.189 0.000 0.921 486 L HN 0.590 nan 8.230 nan 0.000 0.444 487 Q N -0.316 119.278 119.800 -0.343 0.000 2.046 487 Q HA -0.183 4.171 4.340 0.024 0.000 0.200 487 Q C 0.850 176.760 176.000 -0.149 0.000 0.975 487 Q CA 1.542 57.197 55.803 -0.247 0.000 0.836 487 Q CB -0.502 28.018 28.738 -0.364 0.000 0.896 487 Q HN 0.343 nan 8.270 nan 0.000 0.428 488 D N 1.287 121.596 120.400 -0.152 0.000 2.358 488 D HA 0.000 4.655 4.640 0.024 0.000 0.241 488 D C 0.262 176.638 176.300 0.126 0.000 1.094 488 D CA 0.642 54.650 54.000 0.012 0.000 0.907 488 D CB 0.012 40.898 40.800 0.142 0.000 0.893 488 D HN 0.332 nan 8.370 nan 0.000 0.528 489 S N -1.700 114.024 115.700 0.041 0.000 2.806 489 S HA 0.756 5.240 4.470 0.024 0.000 0.315 489 S C 0.622 175.274 174.600 0.086 0.000 1.127 489 S CA -0.800 57.524 58.200 0.206 0.000 0.918 489 S CB 1.795 65.101 63.200 0.176 0.000 1.240 489 S HN 0.032 nan 8.310 nan 0.000 0.552 490 G N -0.364 108.498 108.800 0.104 0.000 2.508 490 G HA2 0.430 4.405 3.960 0.024 0.000 0.278 490 G HA3 0.430 4.405 3.960 0.024 0.000 0.278 490 G C 0.563 175.488 174.900 0.041 0.000 1.389 490 G CA -0.435 44.701 45.100 0.060 0.000 1.050 490 G HN 0.944 nan 8.290 nan 0.000 0.522 491 L N -2.161 119.084 121.223 0.037 0.000 2.622 491 L HA 0.352 4.707 4.340 0.024 0.000 0.233 491 L C 0.513 177.406 176.870 0.038 0.000 1.156 491 L CA 0.190 55.050 54.840 0.033 0.000 0.866 491 L CB -1.162 40.918 42.059 0.035 0.000 0.980 491 L HN 0.347 nan 8.230 nan 0.000 0.448 492 E N -0.204 120.025 120.200 0.048 0.000 2.260 492 E HA 0.729 5.094 4.350 0.024 0.000 0.266 492 E C -1.284 175.366 176.600 0.082 0.000 0.887 492 E CA -0.486 55.949 56.400 0.059 0.000 0.777 492 E CB 2.772 32.506 29.700 0.056 0.000 1.205 492 E HN -0.019 nan 8.360 nan 0.000 0.414 493 V N 2.232 122.196 119.914 0.082 0.000 3.188 493 V HA 0.440 4.574 4.120 0.024 0.000 0.305 493 V C -0.952 175.217 176.094 0.126 0.000 1.232 493 V CA -1.089 61.283 62.300 0.120 0.000 1.043 493 V CB 2.648 34.494 31.823 0.039 0.000 1.068 493 V HN 0.609 nan 8.190 nan 0.000 0.439 494 N N 2.302 121.105 118.700 0.172 0.000 2.448 494 N HA 0.640 5.395 4.740 0.024 0.000 0.279 494 N C -1.432 174.145 175.510 0.112 0.000 1.025 494 N CA -0.235 52.923 53.050 0.180 0.000 0.898 494 N CB 2.476 41.092 38.487 0.216 0.000 1.303 494 N HN 0.549 nan 8.380 nan 0.000 0.495 495 I N 1.616 122.177 120.570 -0.015 0.000 2.418 495 I HA 0.325 4.509 4.170 0.024 0.000 0.287 495 I C 0.008 176.040 176.117 -0.142 0.000 1.008 495 I CA -1.160 60.095 61.300 -0.075 0.000 1.104 495 I CB 2.148 40.062 38.000 -0.142 0.000 1.264 495 I HN 0.103 nan 8.210 nan 0.000 0.438 496 V N 4.712 124.506 119.914 -0.200 0.000 2.581 496 V HA 0.821 4.956 4.120 0.024 0.000 0.303 496 V C -0.493 175.494 176.094 -0.178 0.000 1.041 496 V CA 0.227 62.374 62.300 -0.255 0.000 0.907 496 V CB 1.968 33.527 31.823 -0.440 0.000 0.994 496 V HN 0.878 nan 8.190 nan 0.000 0.442 497 T N 2.179 116.651 114.554 -0.135 0.000 2.841 497 T HA 0.509 4.873 4.350 0.024 0.000 0.296 497 T C -0.256 174.364 174.700 -0.133 0.000 1.166 497 T CA 0.266 62.326 62.100 -0.067 0.000 1.007 497 T CB 1.961 70.846 68.868 0.029 0.000 1.253 497 T HN 0.947 nan 8.240 nan 0.000 0.511 498 D N 0.178 120.544 120.400 -0.056 0.000 2.398 498 D HA 0.213 4.868 4.640 0.024 0.000 0.210 498 D C 0.740 177.243 176.300 0.340 0.000 1.094 498 D CA -0.152 53.806 54.000 -0.070 0.000 0.839 498 D CB 0.080 40.837 40.800 -0.071 0.000 0.963 498 D HN 0.374 nan 8.370 nan 0.000 0.506 499 S N 0.657 116.527 115.700 0.283 0.000 2.555 499 S HA -0.109 4.376 4.470 0.024 0.000 0.293 499 S C 1.238 176.001 174.600 0.272 0.000 1.248 499 S CA -0.305 58.047 58.200 0.253 0.000 1.096 499 S CB 0.616 63.920 63.200 0.173 0.000 0.881 499 S HN 0.185 nan 8.310 nan 0.000 0.498 500 Q N 4.266 124.164 119.800 0.164 0.000 2.167 500 Q HA -0.114 4.241 4.340 0.024 0.000 0.202 500 Q C 1.195 177.212 176.000 0.029 0.000 0.970 500 Q CA 1.569 57.356 55.803 -0.027 0.000 0.855 500 Q CB -0.186 28.522 28.738 -0.051 0.000 0.911 500 Q HN 1.014 nan 8.270 nan 0.000 0.438 501 Y N -0.239 120.019 120.300 -0.069 0.000 2.242 501 Y HA -0.229 4.337 4.550 0.026 0.000 0.291 501 Y C 2.307 178.157 175.900 -0.083 0.000 1.137 501 Y CA 0.584 58.630 58.100 -0.089 0.000 1.181 501 Y CB 0.195 38.611 38.460 -0.072 0.000 0.989 501 Y HN 0.233 nan 8.280 nan 0.000 0.527 502 A N -0.044 122.834 122.820 0.096 0.000 1.902 502 A HA -0.234 4.100 4.320 0.024 0.000 0.217 502 A C 2.001 179.574 177.584 -0.019 0.000 1.181 502 A CA 1.377 53.428 52.037 0.023 0.000 0.623 502 A CB -1.081 17.958 19.000 0.064 0.000 0.818 502 A HN 0.466 nan 8.150 nan 0.000 0.443 503 L N 0.332 121.529 121.223 -0.043 0.000 2.064 503 L HA -0.211 4.144 4.340 0.024 0.000 0.216 503 L C 2.395 179.183 176.870 -0.137 0.000 1.077 503 L CA 2.313 57.063 54.840 -0.150 0.000 0.766 503 L CB -1.137 40.681 42.059 -0.401 0.000 0.890 503 L HN 0.383 nan 8.230 nan 0.000 0.435 504 G N -0.316 108.409 108.800 -0.124 0.000 2.628 504 G HA2 -0.347 3.628 3.960 0.024 0.000 0.217 504 G HA3 -0.347 3.628 3.960 0.024 0.000 0.217 504 G C 1.609 176.460 174.900 -0.082 0.000 1.240 504 G CA 1.408 46.426 45.100 -0.137 0.000 0.792 504 G HN 0.501 nan 8.290 nan 0.000 0.593 505 I N 0.761 121.293 120.570 -0.063 0.000 2.143 505 I HA -0.306 3.879 4.170 0.024 0.000 0.245 505 I C 2.743 178.907 176.117 0.079 0.000 1.068 505 I CA 1.168 62.486 61.300 0.030 0.000 1.326 505 I CB -0.385 37.624 38.000 0.015 0.000 1.028 505 I HN 0.220 nan 8.210 nan 0.000 0.412 506 I N 0.148 120.731 120.570 0.022 0.000 2.068 506 I HA -0.415 3.769 4.170 0.024 0.000 0.238 506 I C 2.723 178.872 176.117 0.052 0.000 1.046 506 I CA 1.985 63.302 61.300 0.028 0.000 1.306 506 I CB -0.470 37.515 38.000 -0.025 0.000 1.023 506 I HN 0.343 nan 8.210 nan 0.000 0.399 507 Q N 0.071 119.864 119.800 -0.011 0.000 2.364 507 Q HA -0.134 4.221 4.340 0.024 0.000 0.209 507 Q C 1.482 177.536 176.000 0.090 0.000 0.977 507 Q CA 1.392 57.181 55.803 -0.024 0.000 0.885 507 Q CB 0.123 28.746 28.738 -0.191 0.000 0.941 507 Q HN 0.607 nan 8.270 nan 0.000 0.464 508 A N -0.577 122.347 122.820 0.173 0.000 2.551 508 A HA 0.094 4.429 4.320 0.024 0.000 0.252 508 A C -0.243 177.581 177.584 0.400 0.000 1.199 508 A CA -0.353 51.916 52.037 0.386 0.000 0.972 508 A CB 0.395 19.635 19.000 0.400 0.000 1.153 508 A HN 0.412 nan 8.150 nan 0.000 0.559 509 Q N 1.124 121.114 119.800 0.317 0.000 2.357 509 Q HA -0.148 4.206 4.340 0.024 0.000 0.366 509 Q C -2.137 174.041 176.000 0.297 0.000 1.256 509 Q CA 0.460 56.478 55.803 0.359 0.000 1.183 509 Q CB -1.391 27.495 28.738 0.248 0.000 1.346 509 Q HN 0.549 nan 8.270 nan 0.000 0.307 510 P HA 0.006 nan 4.420 nan 0.000 0.274 510 P C -0.283 177.160 177.300 0.239 0.000 1.231 510 P CA 0.104 63.361 63.100 0.263 0.000 0.790 510 P CB 0.778 32.637 31.700 0.264 0.000 0.951 511 D N -0.123 120.365 120.400 0.148 0.000 2.650 511 D HA 0.151 4.805 4.640 0.024 0.000 0.265 511 D C -0.119 176.150 176.300 -0.052 0.000 1.339 511 D CA -0.318 53.722 54.000 0.067 0.000 0.816 511 D CB -0.038 40.793 40.800 0.052 0.000 1.091 511 D HN 0.504 nan 8.370 nan 0.000 0.483 512 Q N -2.055 117.753 119.800 0.014 0.000 2.616 512 Q HA 0.503 4.858 4.340 0.024 0.000 0.254 512 Q C -1.808 174.218 176.000 0.042 0.000 0.975 512 Q CA -0.841 54.953 55.803 -0.014 0.000 0.976 512 Q CB 0.959 29.675 28.738 -0.037 0.000 1.594 512 Q HN -0.026 nan 8.270 nan 0.000 0.425 513 S N -0.065 115.648 115.700 0.022 0.000 2.671 513 S HA 0.326 4.811 4.470 0.024 0.000 0.277 513 S C 0.131 174.745 174.600 0.024 0.000 1.165 513 S CA 0.084 58.315 58.200 0.051 0.000 0.822 513 S CB 1.642 64.859 63.200 0.029 0.000 1.150 513 S HN 0.839 nan 8.310 nan 0.000 0.479 514 E N 0.658 120.883 120.200 0.041 0.000 2.072 514 E HA 0.023 4.387 4.350 0.024 0.000 0.190 514 E C 0.721 177.324 176.600 0.005 0.000 0.982 514 E CA 0.921 57.339 56.400 0.029 0.000 0.803 514 E CB -0.278 29.454 29.700 0.052 0.000 0.755 514 E HN 0.420 nan 8.360 nan 0.000 0.453 515 S N 0.262 115.958 115.700 -0.007 0.000 2.545 515 S HA 0.091 4.576 4.470 0.024 0.000 0.275 515 S C 0.768 175.338 174.600 -0.051 0.000 1.299 515 S CA -0.431 57.754 58.200 -0.025 0.000 1.048 515 S CB 1.841 65.025 63.200 -0.027 0.000 0.938 515 S HN 0.223 nan 8.310 nan 0.000 0.496 516 E N 3.107 123.273 120.200 -0.057 0.000 2.058 516 E HA -0.119 4.246 4.350 0.024 0.000 0.194 516 E C 1.681 178.203 176.600 -0.130 0.000 0.997 516 E CA 1.600 57.950 56.400 -0.083 0.000 0.801 516 E CB -0.434 29.221 29.700 -0.074 0.000 0.746 516 E HN 0.794 nan 8.360 nan 0.000 0.450 517 L N -0.211 120.934 121.223 -0.129 0.000 1.976 517 L HA -0.314 4.041 4.340 0.024 0.000 0.223 517 L C 2.370 179.122 176.870 -0.197 0.000 1.081 517 L CA 2.041 56.771 54.840 -0.183 0.000 0.784 517 L CB -0.723 41.271 42.059 -0.109 0.000 0.896 517 L HN 0.176 nan 8.230 nan 0.000 0.438 518 V N 0.008 119.844 119.914 -0.130 0.000 2.324 518 V HA -0.346 3.788 4.120 0.024 0.000 0.250 518 V C 2.256 178.284 176.094 -0.110 0.000 1.060 518 V CA 2.104 64.336 62.300 -0.114 0.000 1.042 518 V CB -0.886 30.874 31.823 -0.105 0.000 0.650 518 V HN 0.515 nan 8.190 nan 0.000 0.450 519 N N 0.191 118.824 118.700 -0.113 0.000 2.043 519 N HA -0.200 4.555 4.740 0.024 0.000 0.193 519 N C 1.964 177.385 175.510 -0.148 0.000 1.037 519 N CA 1.801 54.785 53.050 -0.109 0.000 0.851 519 N CB -0.372 38.053 38.487 -0.102 0.000 1.027 519 N HN 0.655 nan 8.380 nan 0.000 0.422 520 Q N 0.592 120.247 119.800 -0.242 0.000 2.077 520 Q HA -0.114 4.241 4.340 0.024 0.000 0.206 520 Q C 2.274 178.102 176.000 -0.287 0.000 0.989 520 Q CA 1.158 56.741 55.803 -0.367 0.000 0.853 520 Q CB -0.293 27.977 28.738 -0.779 0.000 0.907 520 Q HN 0.432 nan 8.270 nan 0.000 0.418 521 I N 0.859 121.263 120.570 -0.277 0.000 2.163 521 I HA -0.304 3.881 4.170 0.024 0.000 0.243 521 I C 2.418 178.501 176.117 -0.057 0.000 1.085 521 I CA 1.217 62.472 61.300 -0.075 0.000 1.347 521 I CB -0.462 37.496 38.000 -0.070 0.000 1.044 521 I HN 0.206 nan 8.210 nan 0.000 0.408 522 I N 0.440 120.974 120.570 -0.061 0.000 2.091 522 I HA -0.303 3.881 4.170 0.024 0.000 0.239 522 I C 2.676 178.790 176.117 -0.005 0.000 1.061 522 I CA 1.401 62.696 61.300 -0.009 0.000 1.317 522 I CB -0.662 37.355 38.000 0.029 0.000 1.031 522 I HN 0.268 nan 8.210 nan 0.000 0.401 523 E N 0.718 120.903 120.200 -0.024 0.000 2.086 523 E HA -0.274 4.090 4.350 0.024 0.000 0.205 523 E C 2.148 178.764 176.600 0.028 0.000 1.027 523 E CA 1.442 57.840 56.400 -0.002 0.000 0.830 523 E CB -0.503 29.189 29.700 -0.013 0.000 0.751 523 E HN 0.507 nan 8.360 nan 0.000 0.456 524 Q N 0.246 120.070 119.800 0.039 0.000 2.030 524 Q HA -0.114 4.241 4.340 0.024 0.000 0.204 524 Q C 2.662 178.641 176.000 -0.034 0.000 0.986 524 Q CA 0.913 56.740 55.803 0.040 0.000 0.843 524 Q CB -0.609 28.195 28.738 0.111 0.000 0.904 524 Q HN 0.355 nan 8.270 nan 0.000 0.420 525 L N 0.184 121.336 121.223 -0.119 0.000 2.013 525 L HA -0.244 4.111 4.340 0.024 0.000 0.212 525 L C 2.476 179.264 176.870 -0.138 0.000 1.073 525 L CA 1.181 55.852 54.840 -0.282 0.000 0.753 525 L CB -0.572 41.064 42.059 -0.704 0.000 0.890 525 L HN 0.200 nan 8.230 nan 0.000 0.432 526 I N -0.450 120.139 120.570 0.032 0.000 2.335 526 I HA -0.320 3.865 4.170 0.024 0.000 0.251 526 I C 2.479 178.683 176.117 0.145 0.000 1.129 526 I CA 1.376 62.805 61.300 0.215 0.000 1.402 526 I CB -0.249 37.930 38.000 0.298 0.000 1.069 526 I HN 0.231 nan 8.210 nan 0.000 0.424 527 K N 0.560 121.009 120.400 0.082 0.000 2.057 527 K HA -0.060 4.274 4.320 0.024 0.000 0.206 527 K C 0.680 177.311 176.600 0.052 0.000 1.050 527 K CA 0.681 57.008 56.287 0.067 0.000 0.935 527 K CB 0.044 32.572 32.500 0.046 0.000 0.715 527 K HN 0.090 nan 8.250 nan 0.000 0.439 528 K N 1.301 121.718 120.400 0.028 0.000 2.397 528 K HA -0.057 4.278 4.320 0.024 0.000 0.265 528 K C 0.737 177.368 176.600 0.052 0.000 0.982 528 K CA 0.631 56.932 56.287 0.025 0.000 0.931 528 K CB 0.509 33.006 32.500 -0.004 0.000 0.943 528 K HN 0.178 nan 8.250 nan 0.000 0.501 529 E N 0.787 121.017 120.200 0.050 0.000 2.276 529 E HA 0.001 4.366 4.350 0.024 0.000 0.193 529 E C -0.279 176.360 176.600 0.066 0.000 0.983 529 E CA 0.771 57.207 56.400 0.059 0.000 0.861 529 E CB 0.450 30.180 29.700 0.049 0.000 0.817 529 E HN 0.301 nan 8.360 nan 0.000 0.485 530 K N 0.371 120.807 120.400 0.060 0.000 2.543 530 K HA 0.416 4.750 4.320 0.024 0.000 0.255 530 K C -1.672 174.967 176.600 0.066 0.000 0.934 530 K CA -0.448 55.882 56.287 0.071 0.000 0.810 530 K CB 3.041 35.581 32.500 0.067 0.000 1.315 530 K HN -0.209 nan 8.250 nan 0.000 0.433 531 V N 2.607 122.569 119.914 0.080 0.000 2.733 531 V HA 0.352 4.487 4.120 0.024 0.000 0.306 531 V C -1.679 174.493 176.094 0.131 0.000 1.084 531 V CA -0.958 61.378 62.300 0.059 0.000 0.905 531 V CB 1.781 33.588 31.823 -0.028 0.000 1.010 531 V HN 0.758 nan 8.190 nan 0.000 0.424 532 Y N 5.248 125.551 120.300 0.004 0.000 2.363 532 Y HA 0.750 5.314 4.550 0.024 0.000 0.325 532 Y C -1.167 174.734 175.900 0.001 0.000 0.984 532 Y CA -0.977 57.131 58.100 0.014 0.000 1.248 532 Y CB 1.583 40.054 38.460 0.018 0.000 1.116 532 Y HN 0.629 nan 8.280 nan 0.000 0.470 533 L N 5.951 126.867 121.223 -0.511 0.000 2.289 533 L HA 0.866 5.221 4.340 0.024 0.000 0.285 533 L C -0.711 175.775 176.870 -0.640 0.000 1.049 533 L CA -0.149 54.432 54.840 -0.432 0.000 0.804 533 L CB 0.996 42.929 42.059 -0.210 0.000 1.195 533 L HN 0.784 nan 8.230 nan 0.000 0.428 534 A N 4.307 126.866 122.820 -0.435 0.000 2.449 534 A HA 0.598 4.932 4.320 0.024 0.000 0.302 534 A C -2.054 175.496 177.584 -0.057 0.000 1.048 534 A CA -0.539 51.327 52.037 -0.284 0.000 0.708 534 A CB 0.793 19.640 19.000 -0.254 0.000 1.274 534 A HN 0.755 nan 8.150 nan 0.000 0.410 535 W N 2.729 123.950 121.300 -0.132 0.000 2.606 535 W HA 0.608 5.282 4.660 0.024 0.000 0.332 535 W C -0.788 175.700 176.519 -0.052 0.000 1.052 535 W CA -0.453 56.841 57.345 -0.084 0.000 1.223 535 W CB 1.827 31.248 29.460 -0.065 0.000 1.383 535 W HN 0.965 nan 8.180 nan 0.000 0.524 536 V N 4.376 123.589 119.914 -1.168 0.000 2.876 536 V HA 0.701 4.836 4.120 0.024 0.000 0.312 536 V C -2.494 172.621 176.094 -1.631 0.000 1.085 536 V CA -2.955 58.691 62.300 -1.089 0.000 0.945 536 V CB 1.608 33.126 31.823 -0.508 0.000 1.017 536 V HN 0.538 nan 8.190 nan 0.000 0.428 537 P HA 0.172 nan 4.420 nan 0.000 0.265 537 P C -0.065 177.060 177.300 -0.292 0.000 1.187 537 P CA 0.551 63.277 63.100 -0.623 0.000 0.766 537 P CB 0.572 32.190 31.700 -0.137 0.000 0.820 538 A N 3.774 126.554 122.820 -0.066 0.000 2.409 538 A HA 0.505 4.839 4.320 0.024 0.000 0.262 538 A C 0.462 178.105 177.584 0.100 0.000 1.113 538 A CA 0.468 52.504 52.037 -0.001 0.000 0.790 538 A CB -0.416 18.630 19.000 0.077 0.000 1.046 538 A HN 1.022 nan 8.150 nan 0.000 0.496 539 H N 0.000 119.054 119.070 -0.026 0.000 2.539 539 H HA 0.000 4.571 4.556 0.024 0.000 0.296 539 H CA 0.000 56.039 56.048 -0.015 0.000 1.023 539 H CB 0.000 29.757 29.762 -0.009 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496