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 1sv5_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKNKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.334 177.300 0.057 0.000 1.155 1 P CA 0.000 63.120 63.100 0.034 0.000 0.800 1 P CB 0.000 31.711 31.700 0.018 0.000 0.726 2 I N -1.017 119.587 120.570 0.056 0.000 4.971 2 I HA 0.682 4.852 4.170 -0.000 0.000 0.181 2 I C -0.583 175.587 176.117 0.088 0.000 1.364 2 I CA -0.534 60.814 61.300 0.080 0.000 1.525 2 I CB 1.352 39.395 38.000 0.072 0.000 1.501 2 I HN 0.226 nan 8.210 nan 0.000 0.555 3 S N -0.371 115.384 115.700 0.093 0.000 2.533 3 S HA 0.519 4.988 4.470 -0.000 0.000 0.271 3 S C -2.449 172.213 174.600 0.103 0.000 1.143 3 S CA -0.872 57.398 58.200 0.116 0.000 0.891 3 S CB 1.715 65.015 63.200 0.166 0.000 1.105 3 S HN 0.354 nan 8.310 nan 0.000 0.468 4 P HA 0.358 nan 4.420 nan 0.000 0.262 4 P C -0.247 177.151 177.300 0.163 0.000 1.304 4 P CA -0.091 63.042 63.100 0.055 0.000 0.859 4 P CB -0.217 31.430 31.700 -0.089 0.000 1.310 5 I N 0.492 121.218 120.570 0.261 0.000 2.813 5 I HA -0.020 4.150 4.170 -0.000 0.000 0.287 5 I C 0.983 177.204 176.117 0.174 0.000 1.196 5 I CA -0.221 61.250 61.300 0.284 0.000 1.421 5 I CB 0.180 38.318 38.000 0.230 0.000 1.365 5 I HN -0.041 nan 8.210 nan 0.000 0.591 6 E N 3.261 123.553 120.200 0.154 0.000 2.408 6 E HA 0.179 4.529 4.350 -0.000 0.000 0.259 6 E C -0.154 176.509 176.600 0.105 0.000 1.110 6 E CA -0.371 56.096 56.400 0.112 0.000 0.929 6 E CB 0.330 30.087 29.700 0.094 0.000 0.971 6 E HN 0.683 nan 8.360 nan 0.000 0.438 7 T N -2.209 112.404 114.554 0.098 0.000 2.943 7 T HA 0.447 4.797 4.350 -0.000 0.000 0.284 7 T C -0.054 174.704 174.700 0.097 0.000 1.015 7 T CA -1.022 61.142 62.100 0.106 0.000 1.042 7 T CB 1.167 70.104 68.868 0.115 0.000 1.055 7 T HN 0.173 nan 8.240 nan 0.000 0.500 8 V N 3.905 123.885 119.914 0.109 0.000 2.432 8 V HA 0.385 4.504 4.120 -0.000 0.000 0.275 8 V C -1.814 174.342 176.094 0.103 0.000 1.043 8 V CA -1.812 60.549 62.300 0.102 0.000 0.925 8 V CB 0.780 32.681 31.823 0.131 0.000 0.985 8 V HN 0.843 nan 8.190 nan 0.000 0.466 9 P HA 0.306 nan 4.420 nan 0.000 0.275 9 P C -0.793 176.513 177.300 0.009 0.000 1.227 9 P CA 0.079 63.211 63.100 0.053 0.000 0.781 9 P CB 1.591 33.312 31.700 0.035 0.000 0.906 10 V N 3.052 122.948 119.914 -0.030 0.000 3.155 10 V HA 0.709 4.829 4.120 -0.000 0.000 0.313 10 V C 0.190 176.175 176.094 -0.182 0.000 1.162 10 V CA -0.618 61.558 62.300 -0.206 0.000 1.048 10 V CB 2.125 33.651 31.823 -0.495 0.000 1.092 10 V HN 0.804 nan 8.190 nan 0.000 0.447 11 K N 0.356 120.616 120.400 -0.235 0.000 2.685 11 K HA 0.581 4.901 4.320 -0.000 0.000 0.290 11 K C -2.126 174.515 176.600 0.068 0.000 1.018 11 K CA -0.979 55.323 56.287 0.026 0.000 0.860 11 K CB 1.321 33.843 32.500 0.036 0.000 1.498 11 K HN 0.409 nan 8.250 nan 0.000 0.390 12 L N 1.631 122.926 121.223 0.119 0.000 2.399 12 L HA 0.406 4.746 4.340 -0.000 0.000 0.265 12 L C 0.206 177.100 176.870 0.041 0.000 1.089 12 L CA -1.078 53.809 54.840 0.077 0.000 0.802 12 L CB 0.753 42.785 42.059 -0.045 0.000 1.180 12 L HN 0.521 nan 8.230 nan 0.000 0.454 13 K N 2.321 122.748 120.400 0.045 0.000 2.550 13 K HA 0.019 4.339 4.320 -0.000 0.000 0.280 13 K C -2.173 174.445 176.600 0.030 0.000 0.987 13 K CA -1.106 55.199 56.287 0.030 0.000 1.048 13 K CB -0.366 32.157 32.500 0.039 0.000 0.879 13 K HN 0.358 nan 8.250 nan 0.000 0.491 14 P HA -0.142 nan 4.420 nan 0.000 0.261 14 P C 0.415 177.736 177.300 0.035 0.000 1.173 14 P CA 0.718 63.834 63.100 0.026 0.000 0.760 14 P CB 0.285 31.995 31.700 0.017 0.000 0.783 15 G N 2.413 111.239 108.800 0.043 0.000 2.273 15 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.280 15 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.280 15 G C -0.093 174.841 174.900 0.057 0.000 1.047 15 G CA 0.055 45.185 45.100 0.049 0.000 0.869 15 G HN 0.560 nan 8.290 nan 0.000 0.502 16 M N -0.460 119.177 119.600 0.063 0.000 2.378 16 M HA 0.408 4.888 4.480 -0.000 0.000 0.289 16 M C -0.697 175.653 176.300 0.083 0.000 1.136 16 M CA -0.803 54.539 55.300 0.071 0.000 0.917 16 M CB 2.216 34.853 32.600 0.061 0.000 1.669 16 M HN 0.210 nan 8.290 nan 0.000 0.461 17 D N 0.965 121.442 120.400 0.129 0.000 2.442 17 D HA 0.647 5.287 4.640 -0.000 0.000 0.254 17 D C 0.145 176.595 176.300 0.250 0.000 1.069 17 D CA -0.028 54.103 54.000 0.219 0.000 1.017 17 D CB 1.523 42.503 40.800 0.301 0.000 1.172 17 D HN 0.680 nan 8.370 nan 0.000 0.561 18 G N 0.287 109.383 108.800 0.494 0.000 2.554 18 G HA2 0.312 4.271 3.960 -0.000 0.000 0.238 18 G HA3 0.312 4.271 3.960 -0.000 0.000 0.238 18 G C -2.160 173.069 174.900 0.549 0.000 1.259 18 G CA -0.848 44.557 45.100 0.508 0.000 0.843 18 G HN 0.488 nan 8.290 nan 0.000 0.582 19 P HA 0.189 nan 4.420 nan 0.000 0.269 19 P C -0.846 176.612 177.300 0.263 0.000 1.209 19 P CA 0.015 63.276 63.100 0.268 0.000 0.776 19 P CB 1.000 32.832 31.700 0.219 0.000 0.876 20 K N 1.626 122.120 120.400 0.157 0.000 3.029 20 K HA 0.326 4.646 4.320 -0.000 0.000 0.169 20 K C -0.952 175.694 176.600 0.077 0.000 1.090 20 K CA -0.462 55.880 56.287 0.092 0.000 0.883 20 K CB 1.085 33.607 32.500 0.036 0.000 1.080 20 K HN 0.186 nan 8.250 nan 0.000 0.613 21 V N 1.990 121.954 119.914 0.082 0.000 2.394 21 V HA 0.312 4.432 4.120 -0.000 0.000 0.282 21 V C 0.278 176.407 176.094 0.059 0.000 1.031 21 V CA -0.939 61.402 62.300 0.068 0.000 0.881 21 V CB 1.184 33.038 31.823 0.053 0.000 0.982 21 V HN 0.300 nan 8.190 nan 0.000 0.451 22 K N 2.389 122.837 120.400 0.079 0.000 2.098 22 K HA 0.452 4.772 4.320 -0.000 0.000 0.244 22 K C -0.176 176.488 176.600 0.107 0.000 1.014 22 K CA -0.720 55.616 56.287 0.083 0.000 0.917 22 K CB 0.942 33.495 32.500 0.088 0.000 1.072 22 K HN 0.652 nan 8.250 nan 0.000 0.477 23 Q N 0.214 120.067 119.800 0.089 0.000 2.259 23 Q HA 0.159 4.499 4.340 -0.000 0.000 0.249 23 Q C -1.280 174.869 176.000 0.247 0.000 0.914 23 Q CA -0.072 55.782 55.803 0.085 0.000 0.904 23 Q CB 0.588 29.337 28.738 0.019 0.000 1.213 23 Q HN 0.309 nan 8.270 nan 0.000 0.428 24 W N 5.762 127.005 121.300 -0.095 0.000 2.292 24 W HA 0.366 5.026 4.660 -0.000 0.000 0.352 24 W C -1.781 174.713 176.519 -0.042 0.000 0.962 24 W CA -2.474 54.842 57.345 -0.047 0.000 1.496 24 W CB -0.204 29.245 29.460 -0.019 0.000 1.381 24 W HN 0.632 nan 8.180 nan 0.000 0.363 25 P HA 0.148 nan 4.420 nan 0.000 0.269 25 P C 0.276 177.624 177.300 0.080 0.000 1.185 25 P CA 0.625 63.757 63.100 0.054 0.000 0.769 25 P CB 0.410 32.111 31.700 0.002 0.000 0.809 26 L N 0.050 121.312 121.223 0.064 0.000 2.741 26 L HA 0.575 4.914 4.340 -0.000 0.000 0.256 26 L C 0.269 177.175 176.870 0.061 0.000 1.084 26 L CA -0.833 54.057 54.840 0.083 0.000 1.021 26 L CB -0.159 41.974 42.059 0.123 0.000 1.588 26 L HN 0.279 nan 8.230 nan 0.000 0.368 27 T N 1.094 115.697 114.554 0.081 0.000 2.704 27 T HA 0.170 4.520 4.350 -0.000 0.000 0.271 27 T C 0.924 175.647 174.700 0.038 0.000 1.000 27 T CA 0.950 63.094 62.100 0.073 0.000 1.216 27 T CB -0.044 68.896 68.868 0.121 0.000 0.961 27 T HN 0.750 nan 8.240 nan 0.000 0.515 28 E N 2.375 122.584 120.200 0.015 0.000 2.501 28 E HA -0.033 4.317 4.350 -0.000 0.000 0.203 28 E C 2.295 178.868 176.600 -0.044 0.000 1.072 28 E CA 1.041 57.432 56.400 -0.015 0.000 0.885 28 E CB -0.171 29.520 29.700 -0.015 0.000 0.813 28 E HN 0.901 nan 8.360 nan 0.000 0.556 29 E N 0.943 121.127 120.200 -0.026 0.000 2.158 29 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 29 E C 1.632 178.067 176.600 -0.276 0.000 0.982 29 E CA 1.132 57.491 56.400 -0.069 0.000 0.823 29 E CB -0.350 29.400 29.700 0.084 0.000 0.766 29 E HN 0.205 nan 8.360 nan 0.000 0.468 30 K N -0.711 119.587 120.400 -0.170 0.000 2.166 30 K HA 0.201 4.521 4.320 -0.000 0.000 0.201 30 K C 2.525 179.018 176.600 -0.178 0.000 1.052 30 K CA 0.952 57.094 56.287 -0.241 0.000 0.969 30 K CB -0.154 32.379 32.500 0.055 0.000 0.761 30 K HN 0.407 nan 8.250 nan 0.000 0.459 31 I N 1.501 122.015 120.570 -0.094 0.000 2.567 31 I HA -0.130 4.040 4.170 -0.000 0.000 0.257 31 I C 2.049 178.106 176.117 -0.100 0.000 1.184 31 I CA 1.715 62.975 61.300 -0.067 0.000 1.451 31 I CB -0.608 37.368 38.000 -0.040 0.000 1.089 31 I HN 0.015 nan 8.210 nan 0.000 0.441 32 K N 0.225 120.532 120.400 -0.156 0.000 2.352 32 K HA 0.401 4.721 4.320 -0.000 0.000 0.194 32 K C 2.254 178.698 176.600 -0.259 0.000 1.038 32 K CA 1.113 57.301 56.287 -0.166 0.000 1.023 32 K CB 0.052 32.465 32.500 -0.146 0.000 0.840 32 K HN 0.617 nan 8.250 nan 0.000 0.519 33 A N 1.231 123.801 122.820 -0.418 0.000 1.840 33 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 33 A C 2.189 179.594 177.584 -0.297 0.000 1.198 33 A CA 0.914 52.584 52.037 -0.611 0.000 0.608 33 A CB -0.639 17.667 19.000 -1.156 0.000 0.839 33 A HN 0.153 nan 8.150 nan 0.000 0.443 34 L N -0.172 120.943 121.223 -0.181 0.000 1.971 34 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 34 L C 2.526 179.388 176.870 -0.013 0.000 1.072 34 L CA 1.553 56.364 54.840 -0.049 0.000 0.758 34 L CB -0.987 41.083 42.059 0.019 0.000 0.889 34 L HN 0.239 nan 8.230 nan 0.000 0.433 35 V N -0.023 119.884 119.914 -0.011 0.000 2.317 35 V HA -0.336 3.784 4.120 -0.000 0.000 0.251 35 V C 2.480 178.578 176.094 0.006 0.000 1.065 35 V CA 2.081 64.401 62.300 0.033 0.000 1.049 35 V CB -0.666 31.155 31.823 -0.002 0.000 0.651 35 V HN 0.493 nan 8.190 nan 0.000 0.450 36 E N -0.106 120.062 120.200 -0.052 0.000 2.017 36 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 36 E C 2.199 178.766 176.600 -0.054 0.000 0.997 36 E CA 1.763 58.129 56.400 -0.057 0.000 0.804 36 E CB -0.288 29.358 29.700 -0.089 0.000 0.757 36 E HN 0.557 nan 8.360 nan 0.000 0.448 37 I N 1.258 121.789 120.570 -0.064 0.000 2.069 37 I HA -0.386 3.784 4.170 -0.000 0.000 0.237 37 I C 2.740 178.797 176.117 -0.099 0.000 1.053 37 I CA 1.167 62.425 61.300 -0.070 0.000 1.311 37 I CB -0.605 37.362 38.000 -0.054 0.000 1.030 37 I HN 0.239 nan 8.210 nan 0.000 0.398 38 C N 0.366 119.614 119.300 -0.086 0.000 2.392 38 C HA -0.225 4.235 4.460 -0.000 0.000 0.276 38 C C 3.010 177.823 174.990 -0.295 0.000 1.212 38 C CA 1.735 60.616 59.018 -0.229 0.000 1.791 38 C CB -1.509 26.149 27.740 -0.137 0.000 2.063 38 C HN 0.571 nan 8.230 nan 0.000 0.481 39 T N -0.002 114.480 114.554 -0.119 0.000 2.821 39 T HA -0.166 4.183 4.350 -0.000 0.000 0.267 39 T C 1.692 176.332 174.700 -0.100 0.000 1.046 39 T CA 1.673 63.725 62.100 -0.080 0.000 1.139 39 T CB -0.297 68.565 68.868 -0.011 0.000 0.871 39 T HN 0.514 nan 8.240 nan 0.000 0.454 40 E N 0.606 120.748 120.200 -0.097 0.000 2.338 40 E HA 0.073 4.423 4.350 -0.000 0.000 0.197 40 E C 1.939 178.471 176.600 -0.112 0.000 1.007 40 E CA 0.792 57.140 56.400 -0.087 0.000 0.849 40 E CB -0.221 29.434 29.700 -0.075 0.000 0.774 40 E HN 0.514 nan 8.360 nan 0.000 0.506 41 M N -0.815 118.688 119.600 -0.162 0.000 2.325 41 M HA 0.007 4.487 4.480 -0.000 0.000 0.265 41 M C 2.216 178.420 176.300 -0.161 0.000 1.094 41 M CA 1.100 56.294 55.300 -0.176 0.000 1.161 41 M CB -0.063 32.395 32.600 -0.235 0.000 1.358 41 M HN 0.065 nan 8.290 nan 0.000 0.446 42 E N 1.582 121.652 120.200 -0.217 0.000 2.152 42 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 42 E C 1.776 178.327 176.600 -0.082 0.000 0.983 42 E CA 1.248 57.546 56.400 -0.169 0.000 0.818 42 E CB 0.143 29.715 29.700 -0.213 0.000 0.758 42 E HN 0.323 nan 8.360 nan 0.000 0.467 43 K N 0.915 121.270 120.400 -0.075 0.000 2.365 43 K HA -0.076 4.244 4.320 -0.000 0.000 0.199 43 K C 1.172 177.751 176.600 -0.034 0.000 1.045 43 K CA 1.355 57.617 56.287 -0.043 0.000 0.962 43 K CB 0.168 32.644 32.500 -0.039 0.000 0.759 43 K HN 0.121 nan 8.250 nan 0.000 0.469 44 E N -0.462 119.711 120.200 -0.044 0.000 2.481 44 E HA 0.148 4.498 4.350 -0.000 0.000 0.198 44 E C 0.533 177.131 176.600 -0.004 0.000 1.027 44 E CA 0.259 56.645 56.400 -0.025 0.000 0.900 44 E CB 0.326 30.004 29.700 -0.036 0.000 0.993 44 E HN 0.557 nan 8.360 nan 0.000 0.482 45 G N 2.103 110.897 108.800 -0.011 0.000 2.220 45 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.269 45 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.269 45 G C 1.021 175.945 174.900 0.039 0.000 0.977 45 G CA 1.118 46.226 45.100 0.013 0.000 0.634 45 G HN 0.274 nan 8.290 nan 0.000 0.539 46 K N -0.755 119.669 120.400 0.041 0.000 1.991 46 K HA 0.086 4.406 4.320 -0.000 0.000 0.212 46 K C 1.424 178.079 176.600 0.091 0.000 1.049 46 K CA 1.159 57.519 56.287 0.121 0.000 0.932 46 K CB 0.029 32.606 32.500 0.128 0.000 0.717 46 K HN 0.369 nan 8.250 nan 0.000 0.441 47 I N 0.487 121.017 120.570 -0.067 0.000 2.834 47 I HA 0.078 4.248 4.170 -0.000 0.000 0.305 47 I C -0.193 175.869 176.117 -0.092 0.000 1.008 47 I CA -0.105 61.094 61.300 -0.167 0.000 1.273 47 I CB 1.709 39.474 38.000 -0.391 0.000 1.432 47 I HN -0.015 nan 8.210 nan 0.000 0.557 48 S N 5.216 120.901 115.700 -0.026 0.000 2.677 48 S HA 0.321 4.791 4.470 -0.000 0.000 0.283 48 S C -0.576 174.104 174.600 0.133 0.000 1.159 48 S CA -0.777 57.447 58.200 0.040 0.000 1.001 48 S CB 0.781 64.009 63.200 0.047 0.000 1.032 48 S HN 0.546 nan 8.310 nan 0.000 0.487 49 K N 4.861 125.396 120.400 0.226 0.000 2.447 49 K HA 0.282 4.602 4.320 -0.000 0.000 0.281 49 K C 0.155 176.768 176.600 0.021 0.000 1.031 49 K CA 0.049 56.459 56.287 0.206 0.000 1.019 49 K CB 0.095 32.678 32.500 0.138 0.000 0.918 49 K HN 0.684 nan 8.250 nan 0.000 0.476 50 I N 0.264 120.797 120.570 -0.062 0.000 3.076 50 I HA 0.515 4.685 4.170 -0.000 0.000 0.313 50 I C 0.860 176.924 176.117 -0.088 0.000 1.053 50 I CA -1.265 59.996 61.300 -0.066 0.000 1.048 50 I CB 1.186 39.146 38.000 -0.067 0.000 1.264 50 I HN 0.544 nan 8.210 nan 0.000 0.498 51 G N 0.821 109.582 108.800 -0.065 0.000 2.546 51 G HA2 0.423 4.383 3.960 -0.000 0.000 0.239 51 G HA3 0.423 4.383 3.960 -0.000 0.000 0.239 51 G C -1.928 172.928 174.900 -0.073 0.000 1.476 51 G CA -0.461 44.600 45.100 -0.064 0.000 1.064 51 G HN 0.558 nan 8.290 nan 0.000 0.561 52 P HA 0.107 nan 4.420 nan 0.000 0.211 52 P C 0.648 177.911 177.300 -0.062 0.000 1.188 52 P CA 0.516 63.578 63.100 -0.063 0.000 0.904 52 P CB 0.203 31.871 31.700 -0.053 0.000 0.765 53 E N 0.530 120.698 120.200 -0.053 0.000 2.346 53 E HA 0.051 4.401 4.350 -0.000 0.000 0.317 53 E C -0.379 176.188 176.600 -0.055 0.000 1.404 53 E CA -0.024 56.341 56.400 -0.059 0.000 1.534 53 E CB -2.066 27.604 29.700 -0.051 0.000 1.309 53 E HN 0.141 nan 8.360 nan 0.000 0.499 54 N N 2.300 120.968 118.700 -0.053 0.000 2.914 54 N HA 0.176 4.916 4.740 -0.000 0.000 0.304 54 N C -1.859 173.610 175.510 -0.068 0.000 1.727 54 N CA -1.964 51.084 53.050 -0.003 0.000 0.986 54 N CB 0.568 39.063 38.487 0.014 0.000 1.297 54 N HN 0.070 nan 8.380 nan 0.000 0.490 55 P HA -0.258 nan 4.420 nan 0.000 0.225 55 P C -0.462 176.663 177.300 -0.292 0.000 1.154 55 P CA 1.524 64.418 63.100 -0.344 0.000 0.933 55 P CB -0.087 31.278 31.700 -0.558 0.000 0.790 56 Y N -0.757 119.532 120.300 -0.019 0.000 2.805 56 Y HA 0.123 4.673 4.550 -0.000 0.000 0.337 56 Y C 1.138 177.048 175.900 0.017 0.000 1.252 56 Y CA 0.272 58.379 58.100 0.013 0.000 1.515 56 Y CB -0.586 37.880 38.460 0.010 0.000 1.305 56 Y HN -0.021 nan 8.280 nan 0.000 0.600 57 N N -0.406 118.403 118.700 0.182 0.000 2.484 57 N HA 0.559 5.298 4.740 -0.000 0.000 0.269 57 N C -1.938 173.650 175.510 0.131 0.000 1.237 57 N CA -0.642 52.489 53.050 0.134 0.000 0.838 57 N CB 1.789 40.316 38.487 0.067 0.000 1.593 57 N HN 0.558 nan 8.380 nan 0.000 0.485 58 T N 2.388 117.012 114.554 0.115 0.000 2.991 58 T HA 0.444 4.794 4.350 -0.000 0.000 0.303 58 T C -2.853 171.820 174.700 -0.045 0.000 1.015 58 T CA -0.816 61.302 62.100 0.030 0.000 1.007 58 T CB 1.883 70.743 68.868 -0.014 0.000 1.034 58 T HN 0.318 nan 8.240 nan 0.000 0.446 59 P HA 0.069 nan 4.420 nan 0.000 0.263 59 P C -0.935 176.144 177.300 -0.368 0.000 1.168 59 P CA -0.041 62.885 63.100 -0.290 0.000 0.759 59 P CB 0.381 31.855 31.700 -0.377 0.000 0.782 60 V N 5.195 124.865 119.914 -0.407 0.000 2.407 60 V HA 0.370 4.489 4.120 -0.000 0.000 0.291 60 V C -0.109 175.771 176.094 -0.356 0.000 1.018 60 V CA -0.307 61.826 62.300 -0.278 0.000 0.842 60 V CB 0.468 32.244 31.823 -0.078 0.000 0.996 60 V HN 0.340 nan 8.190 nan 0.000 0.426 61 F N 2.331 122.263 119.950 -0.030 0.000 2.411 61 F HA 0.836 5.363 4.527 -0.000 0.000 0.324 61 F C 0.589 176.416 175.800 0.046 0.000 1.086 61 F CA -0.765 57.241 58.000 0.010 0.000 1.028 61 F CB 1.496 40.489 39.000 -0.012 0.000 1.284 61 F HN 0.503 nan 8.300 nan 0.000 0.501 62 A N 2.457 125.448 122.820 0.285 0.000 2.499 62 A HA 0.675 4.995 4.320 -0.000 0.000 0.280 62 A C -1.060 176.727 177.584 0.338 0.000 1.135 62 A CA -0.474 51.725 52.037 0.271 0.000 0.744 62 A CB 0.363 19.494 19.000 0.219 0.000 1.213 62 A HN 0.760 nan 8.150 nan 0.000 0.434 63 I N -0.315 120.413 120.570 0.262 0.000 2.406 63 I HA 0.578 4.748 4.170 -0.000 0.000 0.290 63 I C -0.186 175.960 176.117 0.050 0.000 0.999 63 I CA -0.692 60.697 61.300 0.148 0.000 1.124 63 I CB 1.879 39.909 38.000 0.050 0.000 1.289 63 I HN 0.510 nan 8.210 nan 0.000 0.441 64 K N 6.983 127.230 120.400 -0.255 0.000 2.142 64 K HA 0.259 4.579 4.320 -0.000 0.000 0.250 64 K C -0.323 176.046 176.600 -0.384 0.000 1.148 64 K CA -0.479 55.408 56.287 -0.667 0.000 1.040 64 K CB 0.259 31.653 32.500 -1.842 0.000 1.569 64 K HN 0.636 nan 8.250 nan 0.000 0.361 65 K N 3.252 123.536 120.400 -0.192 0.000 2.513 65 K HA -0.137 4.183 4.320 -0.000 0.000 0.275 65 K C -0.373 176.134 176.600 -0.156 0.000 1.025 65 K CA 0.914 57.120 56.287 -0.135 0.000 1.125 65 K CB 0.266 32.719 32.500 -0.078 0.000 0.843 65 K HN 0.425 nan 8.250 nan 0.000 0.486 66 K N 3.098 123.421 120.400 -0.130 0.000 2.530 66 K HA -0.183 4.136 4.320 -0.000 0.000 0.280 66 K C 0.256 176.801 176.600 -0.092 0.000 1.004 66 K CA 0.442 56.661 56.287 -0.115 0.000 1.071 66 K CB 0.180 32.629 32.500 -0.085 0.000 0.876 66 K HN 0.703 nan 8.250 nan 0.000 0.487 67 D N 0.718 121.063 120.400 -0.092 0.000 2.947 67 D HA -0.155 4.485 4.640 -0.000 0.000 0.224 67 D C -1.312 174.950 176.300 -0.064 0.000 1.132 67 D CA 0.971 54.931 54.000 -0.067 0.000 0.801 67 D CB -0.674 40.097 40.800 -0.048 0.000 1.097 67 D HN 0.459 nan 8.370 nan 0.000 0.431 68 S N -1.849 113.797 115.700 -0.090 0.000 2.536 68 S HA 0.477 4.946 4.470 -0.000 0.000 0.271 68 S C 1.072 175.609 174.600 -0.104 0.000 1.134 68 S CA 0.187 58.341 58.200 -0.076 0.000 0.897 68 S CB 1.930 65.088 63.200 -0.070 0.000 1.094 68 S HN 0.062 nan 8.310 nan 0.000 0.473 69 T N 3.044 117.566 114.554 -0.052 0.000 2.770 69 T HA 0.142 4.492 4.350 -0.000 0.000 0.263 69 T C 1.294 176.002 174.700 0.012 0.000 1.039 69 T CA 1.671 63.756 62.100 -0.025 0.000 1.142 69 T CB -0.479 68.404 68.868 0.024 0.000 0.868 69 T HN 0.844 nan 8.240 nan 0.000 0.435 70 K N 0.449 120.882 120.400 0.056 0.000 2.132 70 K HA 0.408 4.728 4.320 -0.000 0.000 0.240 70 K C -0.563 176.134 176.600 0.162 0.000 1.036 70 K CA -0.217 56.187 56.287 0.195 0.000 0.888 70 K CB -0.128 32.450 32.500 0.131 0.000 1.071 70 K HN 0.418 nan 8.250 nan 0.000 0.502 71 W N -0.694 120.606 121.300 0.000 0.000 2.736 71 W HA 0.708 5.368 4.660 -0.000 0.000 0.355 71 W C 0.022 176.542 176.519 0.001 0.000 1.102 71 W CA -0.699 56.649 57.345 0.006 0.000 1.164 71 W CB 1.559 31.027 29.460 0.013 0.000 1.422 71 W HN 0.579 nan 8.180 nan 0.000 0.572 72 R N 1.428 122.077 120.500 0.248 0.000 2.502 72 R HA 0.277 4.616 4.340 -0.000 0.000 0.300 72 R C -0.380 176.009 176.300 0.149 0.000 0.984 72 R CA -1.056 55.130 56.100 0.143 0.000 0.882 72 R CB 2.250 32.602 30.300 0.086 0.000 1.180 72 R HN 0.346 nan 8.270 nan 0.000 0.444 73 K N 2.990 123.458 120.400 0.113 0.000 2.382 73 K HA 0.174 4.494 4.320 -0.000 0.000 0.275 73 K C -0.953 175.711 176.600 0.107 0.000 1.009 73 K CA -0.194 56.154 56.287 0.100 0.000 0.970 73 K CB 0.591 33.117 32.500 0.043 0.000 0.934 73 K HN 0.369 nan 8.250 nan 0.000 0.479 74 L N 4.992 126.288 121.223 0.121 0.000 2.441 74 L HA 0.330 4.669 4.340 -0.000 0.000 0.270 74 L C -1.605 175.340 176.870 0.125 0.000 0.973 74 L CA -0.567 54.351 54.840 0.131 0.000 0.842 74 L CB 1.875 44.015 42.059 0.135 0.000 1.239 74 L HN 0.381 nan 8.230 nan 0.000 0.406 75 V N 3.252 123.169 119.914 0.004 0.000 2.472 75 V HA 0.408 4.528 4.120 -0.000 0.000 0.290 75 V C -0.539 175.402 176.094 -0.254 0.000 1.037 75 V CA -0.551 61.603 62.300 -0.243 0.000 0.908 75 V CB 1.642 33.087 31.823 -0.629 0.000 0.985 75 V HN 0.750 nan 8.190 nan 0.000 0.454 76 D N 2.410 122.728 120.400 -0.138 0.000 2.443 76 D HA 0.390 5.030 4.640 -0.000 0.000 0.221 76 D C 0.312 176.537 176.300 -0.126 0.000 1.097 76 D CA -0.163 53.833 54.000 -0.007 0.000 0.865 76 D CB 0.599 41.553 40.800 0.256 0.000 1.034 76 D HN 0.404 nan 8.370 nan 0.000 0.511 77 F N 2.628 122.639 119.950 0.102 0.000 2.743 77 F HA 0.049 4.576 4.527 -0.000 0.000 0.297 77 F C 2.336 178.212 175.800 0.127 0.000 1.131 77 F CA -0.164 57.908 58.000 0.121 0.000 1.426 77 F CB -0.056 39.034 39.000 0.150 0.000 1.116 77 F HN 0.380 nan 8.300 nan 0.000 0.583 78 R N 0.513 121.158 120.500 0.240 0.000 2.311 78 R HA -0.323 4.017 4.340 -0.000 0.000 0.255 78 R C 1.652 178.054 176.300 0.170 0.000 1.101 78 R CA 2.227 58.424 56.100 0.162 0.000 0.948 78 R CB -1.180 29.177 30.300 0.096 0.000 0.943 78 R HN 0.211 nan 8.270 nan 0.000 0.448 79 E N 0.721 121.023 120.200 0.170 0.000 2.031 79 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 79 E C 2.068 178.792 176.600 0.207 0.000 0.994 79 E CA 1.352 57.850 56.400 0.164 0.000 0.800 79 E CB -0.298 29.490 29.700 0.148 0.000 0.752 79 E HN 0.336 nan 8.360 nan 0.000 0.447 80 L N 1.912 123.305 121.223 0.283 0.000 2.017 80 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 80 L C 1.481 178.570 176.870 0.365 0.000 1.073 80 L CA 1.697 56.737 54.840 0.333 0.000 0.745 80 L CB -0.700 41.611 42.059 0.420 0.000 0.894 80 L HN 0.019 nan 8.230 nan 0.000 0.432 81 N N -0.079 118.833 118.700 0.354 0.000 2.588 81 N HA -0.169 4.570 4.740 -0.000 0.000 0.190 81 N C 1.345 176.941 175.510 0.144 0.000 1.094 81 N CA 1.037 54.216 53.050 0.216 0.000 0.921 81 N CB -0.183 38.396 38.487 0.153 0.000 0.959 81 N HN 0.513 nan 8.380 nan 0.000 0.448 82 K N -0.381 120.113 120.400 0.156 0.000 2.354 82 K HA 0.224 4.543 4.320 -0.000 0.000 0.194 82 K C 1.253 177.923 176.600 0.117 0.000 1.045 82 K CA 0.138 56.492 56.287 0.112 0.000 1.026 82 K CB 0.546 33.105 32.500 0.099 0.000 0.866 82 K HN 0.084 nan 8.250 nan 0.000 0.530 83 R N 0.176 120.768 120.500 0.154 0.000 2.308 83 R HA 0.124 4.464 4.340 -0.000 0.000 0.202 83 R C 0.311 176.715 176.300 0.173 0.000 0.898 83 R CA 0.164 56.345 56.100 0.135 0.000 1.046 83 R CB 0.620 30.991 30.300 0.118 0.000 1.026 83 R HN -0.101 nan 8.270 nan 0.000 0.512 84 T N 2.299 117.005 114.554 0.254 0.000 2.897 84 T HA 0.059 4.409 4.350 -0.000 0.000 0.294 84 T C 0.044 174.839 174.700 0.159 0.000 1.004 84 T CA -0.395 61.895 62.100 0.317 0.000 1.106 84 T CB 1.165 70.287 68.868 0.424 0.000 0.949 84 T HN 0.217 nan 8.240 nan 0.000 0.520 85 Q N 1.140 120.995 119.800 0.092 0.000 2.492 85 Q HA 0.464 4.804 4.340 -0.000 0.000 0.238 85 Q C 0.049 176.030 176.000 -0.031 0.000 1.045 85 Q CA -0.553 55.227 55.803 -0.038 0.000 0.934 85 Q CB 0.117 28.743 28.738 -0.187 0.000 1.276 85 Q HN 0.686 nan 8.270 nan 0.000 0.521 86 D N 1.044 121.406 120.400 -0.063 0.000 2.313 86 D HA 0.483 5.123 4.640 -0.000 0.000 0.247 86 D C -1.049 175.178 176.300 -0.121 0.000 1.094 86 D CA -0.381 53.629 54.000 0.017 0.000 0.925 86 D CB 0.425 41.235 40.800 0.016 0.000 1.188 86 D HN 0.379 nan 8.370 nan 0.000 0.430 87 F N -1.041 118.864 119.950 -0.076 0.000 2.572 87 F HA 0.494 5.021 4.527 -0.000 0.000 0.342 87 F C 0.345 176.190 175.800 0.074 0.000 1.064 87 F CA -1.325 56.654 58.000 -0.035 0.000 1.008 87 F CB 1.430 40.361 39.000 -0.116 0.000 1.303 87 F HN 0.650 nan 8.300 nan 0.000 0.492 88 W N 3.075 124.426 121.300 0.085 0.000 2.546 88 W HA 0.160 4.820 4.660 -0.000 0.000 0.323 88 W C -0.240 176.316 176.519 0.062 0.000 1.272 88 W CA -0.685 56.682 57.345 0.037 0.000 1.404 88 W CB 0.417 29.885 29.460 0.014 0.000 1.411 88 W HN 0.371 nan 8.180 nan 0.000 0.480 89 E N 3.466 123.471 120.200 -0.325 0.000 2.529 89 E HA -0.053 4.297 4.350 -0.000 0.000 0.259 89 E C 0.180 176.499 176.600 -0.468 0.000 0.966 89 E CA 0.192 56.375 56.400 -0.363 0.000 0.937 89 E CB 0.792 30.329 29.700 -0.271 0.000 0.923 89 E HN 0.329 nan 8.360 nan 0.000 0.468 90 V N 5.588 125.364 119.914 -0.231 0.000 2.621 90 V HA -0.207 3.913 4.120 -0.000 0.000 0.300 90 V C 1.067 177.084 176.094 -0.129 0.000 1.031 90 V CA 0.492 62.715 62.300 -0.129 0.000 1.210 90 V CB -0.851 30.950 31.823 -0.037 0.000 0.864 90 V HN 0.652 nan 8.190 nan 0.000 0.477 91 Q N 3.884 123.614 119.800 -0.116 0.000 3.042 91 Q HA -0.123 4.217 4.340 -0.000 0.000 0.358 91 Q C 0.511 176.491 176.000 -0.032 0.000 1.064 91 Q CA 0.031 55.774 55.803 -0.100 0.000 1.188 91 Q CB 0.142 28.863 28.738 -0.030 0.000 0.967 91 Q HN 0.619 nan 8.270 nan 0.000 0.414 92 L N 3.693 124.863 121.223 -0.087 0.000 2.416 92 L HA 0.261 4.601 4.340 -0.000 0.000 0.216 92 L C 0.851 177.684 176.870 -0.062 0.000 1.098 92 L CA 1.318 56.133 54.840 -0.041 0.000 0.840 92 L CB -0.239 41.779 42.059 -0.068 0.000 0.981 92 L HN 0.806 nan 8.230 nan 0.000 0.462 93 G N 0.519 109.269 108.800 -0.085 0.000 2.343 93 G HA2 0.351 4.311 3.960 -0.000 0.000 0.254 93 G HA3 0.351 4.311 3.960 -0.000 0.000 0.254 93 G C -0.676 174.154 174.900 -0.116 0.000 1.277 93 G CA -0.131 44.918 45.100 -0.084 0.000 0.909 93 G HN 0.045 nan 8.290 nan 0.000 0.502 94 I N 4.078 124.590 120.570 -0.097 0.000 2.404 94 I HA 0.399 4.569 4.170 -0.000 0.000 0.293 94 I C -1.531 174.543 176.117 -0.071 0.000 0.992 94 I CA -2.693 58.572 61.300 -0.058 0.000 1.149 94 I CB 2.005 39.991 38.000 -0.024 0.000 1.315 94 I HN 0.395 nan 8.210 nan 0.000 0.446 95 P HA 0.132 nan 4.420 nan 0.000 0.274 95 P C -1.085 176.048 177.300 -0.278 0.000 1.237 95 P CA -0.089 62.824 63.100 -0.313 0.000 0.793 95 P CB 0.522 31.881 31.700 -0.568 0.000 0.977 96 H N 1.624 120.419 119.070 -0.460 0.000 2.517 96 H HA 0.227 4.783 4.556 -0.000 0.000 0.317 96 H C -1.579 173.310 175.328 -0.731 0.000 1.080 96 H CA -1.782 53.925 56.048 -0.569 0.000 1.301 96 H CB 1.288 30.708 29.762 -0.570 0.000 1.425 96 H HN 0.193 nan 8.280 nan 0.000 0.471 97 P HA -0.289 nan 4.420 nan 0.000 0.217 97 P C 1.052 178.011 177.300 -0.568 0.000 1.158 97 P CA 2.357 64.970 63.100 -0.812 0.000 0.887 97 P CB 0.005 30.982 31.700 -1.204 0.000 0.792 98 A N -0.872 121.682 122.820 -0.444 0.000 2.204 98 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 98 A C 2.169 179.732 177.584 -0.035 0.000 1.165 98 A CA 1.980 53.917 52.037 -0.167 0.000 0.671 98 A CB -1.569 17.301 19.000 -0.217 0.000 0.792 98 A HN 0.364 nan 8.150 nan 0.000 0.473 99 G N -1.361 107.230 108.800 -0.348 0.000 3.159 99 G HA2 0.407 4.366 3.960 -0.000 0.000 0.232 99 G HA3 0.407 4.366 3.960 -0.000 0.000 0.232 99 G C 0.339 175.070 174.900 -0.283 0.000 1.116 99 G CA -0.398 44.436 45.100 -0.444 0.000 0.767 99 G HN 0.365 nan 8.290 nan 0.000 0.547 100 L N 1.240 122.276 121.223 -0.311 0.000 2.410 100 L HA 0.266 4.606 4.340 -0.000 0.000 0.273 100 L C 1.355 178.138 176.870 -0.144 0.000 1.144 100 L CA -0.484 54.144 54.840 -0.353 0.000 0.863 100 L CB 1.085 42.765 42.059 -0.633 0.000 1.140 100 L HN 0.011 nan 8.230 nan 0.000 0.463 101 K N 2.838 123.212 120.400 -0.044 0.000 1.998 101 K HA -0.086 4.234 4.320 -0.000 0.000 0.224 101 K C 1.547 178.196 176.600 0.082 0.000 1.006 101 K CA 2.111 58.457 56.287 0.099 0.000 1.051 101 K CB -0.078 32.470 32.500 0.081 0.000 0.803 101 K HN 0.664 nan 8.250 nan 0.000 0.450 102 K N -0.050 120.381 120.400 0.052 0.000 2.788 102 K HA 0.143 4.463 4.320 -0.000 0.000 0.247 102 K C -0.587 176.073 176.600 0.099 0.000 1.667 102 K CA 0.297 56.654 56.287 0.118 0.000 0.923 102 K CB -0.571 31.989 32.500 0.100 0.000 2.066 102 K HN 0.583 nan 8.250 nan 0.000 0.357 103 N N 1.260 119.997 118.700 0.062 0.000 2.385 103 N HA -0.156 4.583 4.740 -0.000 0.000 0.290 103 N C 0.182 175.720 175.510 0.047 0.000 1.440 103 N CA 0.710 53.783 53.050 0.039 0.000 0.633 103 N CB -0.107 38.389 38.487 0.015 0.000 0.927 103 N HN 0.554 nan 8.380 nan 0.000 0.496 104 K N 0.347 120.767 120.400 0.033 0.000 2.163 104 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 104 K C 0.193 176.794 176.600 0.002 0.000 1.048 104 K CA 1.476 57.779 56.287 0.027 0.000 0.928 104 K CB -0.084 32.424 32.500 0.014 0.000 0.716 104 K HN 0.453 nan 8.250 nan 0.000 0.459 105 S N 0.101 115.760 115.700 -0.069 0.000 2.668 105 S HA 0.335 4.805 4.470 -0.000 0.000 0.277 105 S C -0.795 173.645 174.600 -0.266 0.000 1.170 105 S CA -0.939 57.172 58.200 -0.149 0.000 0.994 105 S CB 2.469 65.537 63.200 -0.220 0.000 1.051 105 S HN -0.110 nan 8.310 nan 0.000 0.484 106 V N 2.590 122.467 119.914 -0.061 0.000 2.581 106 V HA 0.657 4.777 4.120 -0.000 0.000 0.303 106 V C 0.013 176.161 176.094 0.091 0.000 1.041 106 V CA -0.395 61.924 62.300 0.031 0.000 0.907 106 V CB 2.159 34.096 31.823 0.191 0.000 0.994 106 V HN 0.898 nan 8.190 nan 0.000 0.442 107 T N 3.426 118.030 114.554 0.083 0.000 2.829 107 T HA 0.511 4.861 4.350 -0.000 0.000 0.280 107 T C -0.843 173.783 174.700 -0.123 0.000 0.999 107 T CA -0.299 61.787 62.100 -0.023 0.000 0.983 107 T CB 1.684 70.560 68.868 0.014 0.000 0.968 107 T HN 0.526 nan 8.240 nan 0.000 0.446 108 V N 6.261 126.063 119.914 -0.186 0.000 2.409 108 V HA 0.584 4.704 4.120 -0.000 0.000 0.291 108 V C -0.436 175.539 176.094 -0.199 0.000 1.020 108 V CA -0.642 61.386 62.300 -0.454 0.000 0.848 108 V CB 0.375 31.646 31.823 -0.919 0.000 0.990 108 V HN 0.769 nan 8.190 nan 0.000 0.430 109 L N 4.481 125.589 121.223 -0.193 0.000 2.891 109 L HA 0.666 5.006 4.340 -0.000 0.000 0.216 109 L C 0.074 176.897 176.870 -0.079 0.000 1.209 109 L CA -0.559 54.234 54.840 -0.080 0.000 0.957 109 L CB 0.662 42.684 42.059 -0.061 0.000 1.876 109 L HN 0.689 nan 8.230 nan 0.000 0.532 110 D N 0.358 120.744 120.400 -0.023 0.000 2.752 110 D HA 0.085 4.725 4.640 -0.000 0.000 0.242 110 D C -0.768 175.555 176.300 0.038 0.000 1.295 110 D CA -0.246 53.758 54.000 0.006 0.000 0.846 110 D CB 1.083 41.896 40.800 0.021 0.000 1.454 110 D HN 0.231 nan 8.370 nan 0.000 0.535 111 V N 1.779 121.726 119.914 0.056 0.000 2.357 111 V HA 0.397 4.517 4.120 -0.000 0.000 0.239 111 V C 1.411 177.557 176.094 0.087 0.000 1.168 111 V CA 0.611 62.965 62.300 0.091 0.000 1.262 111 V CB -0.029 31.898 31.823 0.173 0.000 1.314 111 V HN 0.354 nan 8.190 nan 0.000 0.486 112 G N 2.965 111.812 108.800 0.077 0.000 2.551 112 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.214 112 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.214 112 G C 0.887 175.866 174.900 0.132 0.000 1.250 112 G CA 0.659 45.816 45.100 0.094 0.000 0.825 112 G HN 0.585 nan 8.290 nan 0.000 0.549 113 D N 0.889 121.373 120.400 0.141 0.000 2.403 113 D HA 0.160 4.800 4.640 -0.000 0.000 0.227 113 D C 2.459 178.882 176.300 0.205 0.000 0.995 113 D CA 0.746 54.896 54.000 0.250 0.000 0.928 113 D CB -0.190 40.699 40.800 0.149 0.000 0.887 113 D HN 0.247 nan 8.370 nan 0.000 0.529 114 A N 0.313 123.158 122.820 0.042 0.000 1.883 114 A HA -0.352 3.968 4.320 -0.000 0.000 0.226 114 A C 1.812 179.170 177.584 -0.376 0.000 1.512 114 A CA 2.126 54.050 52.037 -0.188 0.000 0.738 114 A CB -1.579 17.151 19.000 -0.450 0.000 0.848 114 A HN 0.418 nan 8.150 nan 0.000 0.477 115 Y N -1.452 118.376 120.300 -0.786 0.000 2.348 115 Y HA -0.204 4.346 4.550 -0.000 0.000 0.285 115 Y C 1.948 177.583 175.900 -0.442 0.000 1.173 115 Y CA 1.505 59.177 58.100 -0.715 0.000 1.263 115 Y CB -0.730 37.283 38.460 -0.745 0.000 0.974 115 Y HN 0.352 nan 8.280 nan 0.000 0.547 116 F N -1.730 118.229 119.950 0.015 0.000 2.797 116 F HA 0.029 4.556 4.527 -0.000 0.000 0.302 116 F C 1.688 177.521 175.800 0.055 0.000 1.130 116 F CA 0.397 58.430 58.000 0.055 0.000 1.387 116 F CB 0.131 39.169 39.000 0.064 0.000 1.107 116 F HN -0.174 nan 8.300 nan 0.000 0.577 117 S N -0.995 114.801 115.700 0.160 0.000 2.559 117 S HA 0.201 4.671 4.470 -0.000 0.000 0.226 117 S C 0.335 175.013 174.600 0.131 0.000 1.000 117 S CA -0.074 58.212 58.200 0.143 0.000 0.948 117 S CB 0.497 63.772 63.200 0.126 0.000 0.870 117 S HN -0.132 nan 8.310 nan 0.000 0.497 118 V N 4.083 124.062 119.914 0.107 0.000 2.394 118 V HA 0.342 4.462 4.120 -0.000 0.000 0.282 118 V C -2.393 173.772 176.094 0.119 0.000 1.031 118 V CA -2.214 60.160 62.300 0.123 0.000 0.881 118 V CB 1.264 33.169 31.823 0.136 0.000 0.982 118 V HN 0.070 nan 8.190 nan 0.000 0.451 119 P HA 0.011 nan 4.420 nan 0.000 0.269 119 P C -0.922 176.455 177.300 0.128 0.000 1.205 119 P CA 0.067 63.242 63.100 0.125 0.000 0.780 119 P CB 0.399 32.172 31.700 0.121 0.000 0.858 120 L N 2.199 123.500 121.223 0.130 0.000 2.381 120 L HA 0.388 4.728 4.340 -0.000 0.000 0.274 120 L C -0.592 176.372 176.870 0.156 0.000 0.988 120 L CA -0.863 54.061 54.840 0.140 0.000 0.824 120 L CB 1.338 43.461 42.059 0.107 0.000 1.263 120 L HN 0.179 nan 8.230 nan 0.000 0.410 121 D N 2.973 123.484 120.400 0.185 0.000 2.982 121 D HA -0.164 4.476 4.640 -0.000 0.000 0.222 121 D C 1.146 177.564 176.300 0.196 0.000 1.124 121 D CA 0.904 55.018 54.000 0.189 0.000 0.810 121 D CB 0.768 41.694 40.800 0.209 0.000 1.152 121 D HN 0.746 nan 8.370 nan 0.000 0.538 122 E N 3.016 123.302 120.200 0.143 0.000 2.063 122 E HA -0.284 4.066 4.350 -0.000 0.000 0.221 122 E C 0.940 177.613 176.600 0.122 0.000 1.052 122 E CA 2.273 58.742 56.400 0.114 0.000 0.891 122 E CB -0.054 29.699 29.700 0.089 0.000 0.792 122 E HN 0.584 nan 8.360 nan 0.000 0.482 123 D N -0.937 119.545 120.400 0.137 0.000 2.421 123 D HA -0.178 4.462 4.640 -0.000 0.000 0.223 123 D C 1.020 177.456 176.300 0.226 0.000 0.979 123 D CA 0.664 54.750 54.000 0.144 0.000 0.959 123 D CB -0.187 40.711 40.800 0.163 0.000 0.874 123 D HN 0.231 nan 8.370 nan 0.000 0.513 124 F N 0.295 120.300 119.950 0.092 0.000 2.678 124 F HA 0.203 4.730 4.527 -0.000 0.000 0.305 124 F C 1.902 177.734 175.800 0.053 0.000 1.090 124 F CA -0.345 57.753 58.000 0.163 0.000 1.272 124 F CB 0.298 39.377 39.000 0.132 0.000 1.060 124 F HN -0.294 nan 8.300 nan 0.000 0.576 125 R N 0.501 120.966 120.500 -0.059 0.000 2.073 125 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 125 R C 1.851 177.989 176.300 -0.270 0.000 1.134 125 R CA 1.660 57.694 56.100 -0.109 0.000 0.952 125 R CB -0.242 30.056 30.300 -0.002 0.000 0.850 125 R HN -0.002 nan 8.270 nan 0.000 0.433 126 K N 0.370 120.526 120.400 -0.407 0.000 2.008 126 K HA -0.271 4.049 4.320 -0.000 0.000 0.231 126 K C 1.817 178.035 176.600 -0.636 0.000 1.031 126 K CA 2.400 58.336 56.287 -0.584 0.000 0.995 126 K CB -1.317 30.546 32.500 -1.061 0.000 0.747 126 K HN 0.335 nan 8.250 nan 0.000 0.447 127 Y N 1.130 121.033 120.300 -0.661 0.000 2.738 127 Y HA -0.152 4.398 4.550 -0.000 0.000 0.293 127 Y C 1.901 177.650 175.900 -0.253 0.000 1.156 127 Y CA 1.116 58.858 58.100 -0.597 0.000 1.410 127 Y CB -1.260 36.728 38.460 -0.786 0.000 0.966 127 Y HN 0.277 nan 8.280 nan 0.000 0.568 128 T N -2.536 111.975 114.554 -0.071 0.000 3.107 128 T HA 0.459 4.808 4.350 -0.000 0.000 0.249 128 T C 0.986 175.892 174.700 0.344 0.000 1.096 128 T CA 0.042 62.247 62.100 0.175 0.000 1.012 128 T CB -0.346 68.640 68.868 0.197 0.000 0.977 128 T HN 0.308 nan 8.240 nan 0.000 0.527 129 A N 2.087 125.022 122.820 0.193 0.000 2.565 129 A HA 0.487 4.807 4.320 -0.000 0.000 0.237 129 A C -0.019 177.734 177.584 0.281 0.000 1.053 129 A CA -0.196 51.947 52.037 0.176 0.000 0.755 129 A CB -0.679 18.389 19.000 0.113 0.000 0.980 129 A HN 0.752 nan 8.150 nan 0.000 0.506 130 F N -0.319 119.673 119.950 0.070 0.000 2.662 130 F HA 0.816 5.343 4.527 -0.000 0.000 0.312 130 F C -0.565 175.241 175.800 0.009 0.000 1.113 130 F CA -0.605 57.413 58.000 0.030 0.000 0.951 130 F CB 1.421 40.439 39.000 0.030 0.000 1.344 130 F HN 0.510 nan 8.300 nan 0.000 0.462 131 T N 2.316 116.912 114.554 0.071 0.000 2.909 131 T HA 0.727 5.077 4.350 -0.000 0.000 0.299 131 T C -1.300 173.426 174.700 0.042 0.000 1.073 131 T CA -0.699 61.357 62.100 -0.072 0.000 0.999 131 T CB 1.272 70.095 68.868 -0.074 0.000 1.098 131 T HN 0.906 nan 8.240 nan 0.000 0.477 132 I N 2.133 122.695 120.570 -0.012 0.000 2.389 132 I HA 0.629 4.799 4.170 -0.000 0.000 0.288 132 I C -2.740 173.358 176.117 -0.031 0.000 0.999 132 I CA -2.815 58.499 61.300 0.024 0.000 1.129 132 I CB 1.568 39.615 38.000 0.078 0.000 1.288 132 I HN 0.355 nan 8.210 nan 0.000 0.444 133 P HA -0.074 nan 4.420 nan 0.000 0.264 133 P C 0.620 177.897 177.300 -0.038 0.000 1.156 133 P CA 0.777 63.861 63.100 -0.026 0.000 0.756 133 P CB 0.610 32.306 31.700 -0.007 0.000 0.764 134 S N 3.153 118.827 115.700 -0.043 0.000 2.840 134 S HA 0.287 4.757 4.470 -0.000 0.000 0.235 134 S C 1.577 176.154 174.600 -0.039 0.000 0.968 134 S CA 0.372 58.543 58.200 -0.048 0.000 1.026 134 S CB -1.324 61.845 63.200 -0.052 0.000 0.788 134 S HN 0.669 nan 8.310 nan 0.000 0.487 135 I N -1.784 118.767 120.570 -0.032 0.000 4.465 135 I HA -0.179 3.991 4.170 -0.000 0.000 0.286 135 I C 1.108 177.210 176.117 -0.026 0.000 1.298 135 I CA 1.428 62.712 61.300 -0.027 0.000 1.794 135 I CB -2.849 35.133 38.000 -0.029 0.000 2.159 135 I HN 2.322 nan 8.210 nan 0.000 0.440 136 N N -2.488 116.195 118.700 -0.029 0.000 2.663 136 N HA 0.514 5.254 4.740 -0.000 0.000 0.263 136 N C 0.639 176.131 175.510 -0.029 0.000 1.109 136 N CA 1.833 54.865 53.050 -0.029 0.000 0.701 136 N CB -2.187 36.284 38.487 -0.026 0.000 0.879 136 N HN 3.555 nan 8.380 nan 0.000 0.550 137 N N -0.863 117.818 118.700 -0.032 0.000 5.240 137 N HA 0.689 5.429 4.740 -0.000 0.000 0.179 137 N C 0.205 175.694 175.510 -0.036 0.000 1.071 137 N CA 0.856 53.887 53.050 -0.032 0.000 0.951 137 N CB -0.345 38.125 38.487 -0.028 0.000 1.566 137 N HN 1.983 nan 8.380 nan 0.000 0.633 138 E N -0.749 119.430 120.200 -0.036 0.000 3.547 138 E HA -0.327 4.023 4.350 -0.000 0.000 0.300 138 E C 0.974 177.546 176.600 -0.046 0.000 0.857 138 E CA 2.412 58.788 56.400 -0.040 0.000 1.039 138 E CB -1.850 27.826 29.700 -0.041 0.000 1.524 138 E HN 2.786 nan 8.360 nan 0.000 0.457 139 T N -1.459 113.068 114.554 -0.044 0.000 3.799 139 T HA -0.220 4.130 4.350 -0.000 0.000 0.358 139 T C -1.608 173.056 174.700 -0.060 0.000 0.759 139 T CA 0.884 62.955 62.100 -0.048 0.000 1.869 139 T CB -1.739 67.102 68.868 -0.045 0.000 1.837 139 T HN 0.253 nan 8.240 nan 0.000 0.762 140 P HA 0.301 nan 4.420 nan 0.000 0.255 140 P C 0.912 178.154 177.300 -0.098 0.000 1.161 140 P CA 0.944 63.992 63.100 -0.086 0.000 0.768 140 P CB 0.481 32.127 31.700 -0.089 0.000 0.746 141 G N 4.185 112.918 108.800 -0.113 0.000 4.126 141 G HA2 0.234 4.194 3.960 -0.000 0.000 0.282 141 G HA3 0.234 4.194 3.960 -0.000 0.000 0.282 141 G C 0.221 175.012 174.900 -0.182 0.000 1.221 141 G CA -0.381 44.644 45.100 -0.125 0.000 1.527 141 G HN 0.501 nan 8.290 nan 0.000 0.612 142 I N 1.882 122.329 120.570 -0.204 0.000 2.455 142 I HA 0.074 4.244 4.170 -0.000 0.000 0.303 142 I C 0.388 176.253 176.117 -0.419 0.000 1.180 142 I CA 0.261 61.373 61.300 -0.313 0.000 1.469 142 I CB -0.125 37.720 38.000 -0.258 0.000 1.480 142 I HN 0.151 nan 8.210 nan 0.000 0.669 143 R N 6.122 126.348 120.500 -0.456 0.000 2.295 143 R HA 0.529 4.869 4.340 -0.000 0.000 0.324 143 R C -1.242 174.728 176.300 -0.549 0.000 0.968 143 R CA -0.652 55.169 56.100 -0.465 0.000 0.837 143 R CB 1.533 31.664 30.300 -0.282 0.000 1.133 143 R HN 0.377 nan 8.270 nan 0.000 0.450 144 Y N 1.213 121.112 120.300 -0.669 0.000 2.429 144 Y HA 0.255 4.805 4.550 -0.000 0.000 0.342 144 Y C 0.192 175.695 175.900 -0.662 0.000 1.004 144 Y CA -0.920 56.787 58.100 -0.654 0.000 1.075 144 Y CB 2.556 40.597 38.460 -0.698 0.000 1.214 144 Y HN 0.414 nan 8.280 nan 0.000 0.455 145 Q N 2.638 122.417 119.800 -0.036 0.000 2.353 145 Q HA 0.344 4.684 4.340 -0.000 0.000 0.268 145 Q C -1.910 174.206 176.000 0.194 0.000 1.045 145 Q CA -0.839 55.027 55.803 0.105 0.000 0.811 145 Q CB 1.592 30.362 28.738 0.054 0.000 1.305 145 Q HN 0.725 nan 8.270 nan 0.000 0.447 146 Y N 2.209 122.661 120.300 0.254 0.000 2.397 146 Y HA 0.124 4.674 4.550 -0.000 0.000 0.335 146 Y C 0.750 176.713 175.900 0.105 0.000 1.213 146 Y CA 0.582 58.800 58.100 0.197 0.000 1.391 146 Y CB 0.885 39.457 38.460 0.187 0.000 1.293 146 Y HN 0.673 nan 8.280 nan 0.000 0.557 147 N N 1.862 120.755 118.700 0.322 0.000 2.299 147 N HA 0.192 4.932 4.740 -0.000 0.000 0.246 147 N C -1.078 174.556 175.510 0.206 0.000 1.254 147 N CA 0.275 53.446 53.050 0.201 0.000 0.879 147 N CB 0.938 39.510 38.487 0.142 0.000 1.214 147 N HN 0.377 nan 8.380 nan 0.000 0.510 148 V N -3.451 116.611 119.914 0.247 0.000 3.130 148 V HA 0.509 4.628 4.120 -0.000 0.000 0.308 148 V C -0.703 175.389 176.094 -0.003 0.000 1.413 148 V CA -1.119 61.276 62.300 0.159 0.000 1.053 148 V CB 1.625 33.588 31.823 0.233 0.000 1.075 148 V HN -0.143 nan 8.190 nan 0.000 0.465 149 L N 2.122 123.300 121.223 -0.075 0.000 2.515 149 L HA 0.365 4.705 4.340 -0.000 0.000 0.281 149 L C -2.300 174.267 176.870 -0.504 0.000 1.131 149 L CA -1.153 53.588 54.840 -0.165 0.000 0.905 149 L CB 0.074 42.103 42.059 -0.049 0.000 1.246 149 L HN 0.465 nan 8.230 nan 0.000 0.463 150 P HA -0.065 nan 4.420 nan 0.000 0.267 150 P C -0.152 176.760 177.300 -0.647 0.000 1.209 150 P CA -0.099 62.424 63.100 -0.962 0.000 0.763 150 P CB 0.418 31.428 31.700 -1.150 0.000 0.816 151 Q N 2.612 122.121 119.800 -0.484 0.000 2.417 151 Q HA 0.072 4.412 4.340 -0.000 0.000 0.183 151 Q C 0.671 176.604 176.000 -0.112 0.000 0.908 151 Q CA 0.540 56.142 55.803 -0.336 0.000 0.994 151 Q CB -1.160 27.549 28.738 -0.049 0.000 1.557 151 Q HN 0.760 nan 8.270 nan 0.000 0.382 152 G N 0.013 108.711 108.800 -0.170 0.000 3.765 152 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.153 152 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.153 152 G C -0.478 174.361 174.900 -0.102 0.000 1.286 152 G CA -0.571 44.566 45.100 0.062 0.000 0.814 152 G HN 0.425 nan 8.290 nan 0.000 0.772 153 W N 2.530 123.314 121.300 -0.861 0.000 2.073 153 W HA 0.382 5.042 4.660 -0.000 0.000 0.358 153 W C 1.608 177.900 176.519 -0.379 0.000 1.321 153 W CA 0.499 57.408 57.345 -0.726 0.000 1.317 153 W CB 0.882 29.838 29.460 -0.839 0.000 1.226 153 W HN 0.067 nan 8.180 nan 0.000 0.622 154 K N 0.870 120.729 120.400 -0.902 0.000 2.005 154 K HA 0.011 4.331 4.320 -0.000 0.000 0.206 154 K C 1.898 177.761 176.600 -1.227 0.000 1.044 154 K CA 1.491 57.253 56.287 -0.875 0.000 0.942 154 K CB -0.804 31.320 32.500 -0.625 0.000 0.727 154 K HN 0.627 nan 8.250 nan 0.000 0.439 155 G N -0.050 107.423 108.800 -2.211 0.000 2.956 155 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.207 155 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.207 155 G C 1.075 175.205 174.900 -1.284 0.000 1.162 155 G CA 0.104 43.698 45.100 -2.509 0.000 0.796 155 G HN 0.195 nan 8.290 nan 0.000 0.527 156 S N 1.376 116.602 115.700 -0.790 0.000 2.343 156 S HA -0.052 4.418 4.470 -0.000 0.000 0.219 156 S C 0.271 174.846 174.600 -0.042 0.000 1.033 156 S CA 1.333 59.389 58.200 -0.239 0.000 1.014 156 S CB -0.486 62.621 63.200 -0.156 0.000 0.915 156 S HN 0.284 nan 8.310 nan 0.000 0.435 157 P HA -0.152 nan 4.420 nan 0.000 0.208 157 P C 1.527 178.859 177.300 0.053 0.000 1.180 157 P CA 1.741 64.942 63.100 0.168 0.000 0.935 157 P CB -0.305 31.401 31.700 0.009 0.000 0.785 158 A N -0.268 122.495 122.820 -0.095 0.000 1.879 158 A HA -0.304 4.016 4.320 -0.000 0.000 0.222 158 A C 2.268 179.835 177.584 -0.029 0.000 1.368 158 A CA 2.830 54.829 52.037 -0.063 0.000 0.707 158 A CB -1.992 16.973 19.000 -0.059 0.000 0.846 158 A HN 0.162 nan 8.150 nan 0.000 0.468 159 I N -1.693 118.841 120.570 -0.061 0.000 2.290 159 I HA -0.307 3.863 4.170 -0.000 0.000 0.253 159 I C 2.347 178.488 176.117 0.039 0.000 1.112 159 I CA 1.923 63.233 61.300 0.017 0.000 1.377 159 I CB -0.435 37.572 38.000 0.011 0.000 1.060 159 I HN 0.538 nan 8.210 nan 0.000 0.428 160 F N 1.683 121.537 119.950 -0.160 0.000 2.060 160 F HA -0.250 4.277 4.527 -0.000 0.000 0.295 160 F C 2.650 178.311 175.800 -0.232 0.000 1.120 160 F CA 2.085 59.913 58.000 -0.286 0.000 1.205 160 F CB -1.032 37.580 39.000 -0.648 0.000 0.986 160 F HN 0.053 nan 8.300 nan 0.000 0.470 161 Q N 0.205 119.733 119.800 -0.454 0.000 1.998 161 Q HA -0.300 4.040 4.340 -0.000 0.000 0.209 161 Q C 2.477 178.296 176.000 -0.301 0.000 1.002 161 Q CA 3.184 58.715 55.803 -0.454 0.000 0.858 161 Q CB -0.751 27.864 28.738 -0.205 0.000 0.932 161 Q HN 0.525 nan 8.270 nan 0.000 0.416 162 S N -0.383 115.233 115.700 -0.141 0.000 2.404 162 S HA -0.283 4.187 4.470 -0.000 0.000 0.230 162 S C 2.066 176.581 174.600 -0.141 0.000 1.046 162 S CA 2.359 60.508 58.200 -0.084 0.000 1.135 162 S CB -0.888 62.309 63.200 -0.005 0.000 1.056 162 S HN 0.603 nan 8.310 nan 0.000 0.426 163 S N 1.151 116.776 115.700 -0.125 0.000 2.380 163 S HA -0.221 4.249 4.470 -0.000 0.000 0.229 163 S C 1.852 176.307 174.600 -0.241 0.000 1.043 163 S CA 2.008 60.133 58.200 -0.124 0.000 1.038 163 S CB -0.626 62.559 63.200 -0.025 0.000 0.872 163 S HN 0.642 nan 8.310 nan 0.000 0.456 164 M N 1.772 121.132 119.600 -0.400 0.000 2.077 164 M HA -0.089 4.391 4.480 -0.000 0.000 0.261 164 M C 2.070 178.172 176.300 -0.330 0.000 1.070 164 M CA 1.770 56.795 55.300 -0.458 0.000 1.125 164 M CB -1.412 30.732 32.600 -0.760 0.000 1.339 164 M HN 0.208 nan 8.290 nan 0.000 0.409 165 T N 1.269 115.658 114.554 -0.276 0.000 2.597 165 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 165 T C 1.790 176.386 174.700 -0.173 0.000 1.053 165 T CA 2.034 64.024 62.100 -0.183 0.000 1.165 165 T CB -0.412 68.380 68.868 -0.126 0.000 0.863 165 T HN 0.419 nan 8.240 nan 0.000 0.427 166 K N 0.222 120.513 120.400 -0.182 0.000 2.113 166 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 166 K C 2.177 178.595 176.600 -0.304 0.000 1.047 166 K CA 1.045 57.221 56.287 -0.185 0.000 0.928 166 K CB -0.487 31.919 32.500 -0.156 0.000 0.716 166 K HN 0.263 nan 8.250 nan 0.000 0.446 167 I N 1.632 121.942 120.570 -0.434 0.000 2.072 167 I HA -0.274 3.896 4.170 -0.000 0.000 0.235 167 I C 2.358 178.286 176.117 -0.314 0.000 1.058 167 I CA 1.263 62.151 61.300 -0.686 0.000 1.320 167 I CB -0.672 36.953 38.000 -0.626 0.000 1.047 167 I HN 0.061 nan 8.210 nan 0.000 0.397 168 L N -0.422 120.711 121.223 -0.150 0.000 1.997 168 L HA -0.341 3.999 4.340 -0.000 0.000 0.216 168 L C 2.358 179.258 176.870 0.049 0.000 1.074 168 L CA 1.874 56.733 54.840 0.032 0.000 0.763 168 L CB -0.990 41.075 42.059 0.011 0.000 0.890 168 L HN 0.346 nan 8.230 nan 0.000 0.434 169 E N -0.409 119.774 120.200 -0.028 0.000 2.464 169 E HA -0.319 4.031 4.350 -0.000 0.000 0.250 169 E C -0.423 176.173 176.600 -0.006 0.000 1.063 169 E CA 3.047 59.432 56.400 -0.025 0.000 1.155 169 E CB -0.973 28.700 29.700 -0.045 0.000 1.041 169 E HN 0.382 nan 8.360 nan 0.000 0.495 170 P HA -0.171 nan 4.420 nan 0.000 0.213 170 P C 1.215 178.487 177.300 -0.047 0.000 1.170 170 P CA 1.409 64.529 63.100 0.032 0.000 0.898 170 P CB -0.211 31.585 31.700 0.159 0.000 0.787 171 F N 1.549 121.301 119.950 -0.329 0.000 2.065 171 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 171 F C 1.873 177.576 175.800 -0.162 0.000 1.112 171 F CA 1.773 59.550 58.000 -0.373 0.000 1.212 171 F CB -0.763 37.952 39.000 -0.475 0.000 0.975 171 F HN -0.251 nan 8.300 nan 0.000 0.476 172 K N 0.898 121.219 120.400 -0.132 0.000 2.127 172 K HA -0.269 4.051 4.320 -0.000 0.000 0.208 172 K C 1.987 178.458 176.600 -0.216 0.000 1.047 172 K CA 2.133 58.310 56.287 -0.183 0.000 0.927 172 K CB -0.682 31.791 32.500 -0.045 0.000 0.716 172 K HN 0.547 nan 8.250 nan 0.000 0.450 173 K N 0.793 121.096 120.400 -0.162 0.000 2.217 173 K HA -0.112 4.208 4.320 -0.000 0.000 0.202 173 K C 1.725 178.234 176.600 -0.151 0.000 1.051 173 K CA 1.070 57.283 56.287 -0.123 0.000 0.952 173 K CB -0.040 32.417 32.500 -0.071 0.000 0.736 173 K HN 0.141 nan 8.250 nan 0.000 0.453 174 Q N 0.553 120.221 119.800 -0.220 0.000 2.425 174 Q HA 0.089 4.429 4.340 -0.000 0.000 0.204 174 Q C -0.263 175.586 176.000 -0.251 0.000 0.933 174 Q CA 0.306 55.987 55.803 -0.203 0.000 0.939 174 Q CB 0.353 28.979 28.738 -0.186 0.000 1.044 174 Q HN 0.432 nan 8.270 nan 0.000 0.513 175 N N 0.149 118.643 118.700 -0.342 0.000 2.687 175 N HA 0.154 4.894 4.740 -0.000 0.000 0.275 175 N C -2.579 172.800 175.510 -0.218 0.000 1.789 175 N CA -0.942 51.926 53.050 -0.303 0.000 0.806 175 N CB 1.202 39.402 38.487 -0.479 0.000 1.256 175 N HN -0.040 nan 8.380 nan 0.000 0.500 176 P HA -0.059 nan 4.420 nan 0.000 0.234 176 P C 0.396 177.654 177.300 -0.070 0.000 1.162 176 P CA 1.134 64.175 63.100 -0.098 0.000 0.759 176 P CB 0.413 32.069 31.700 -0.073 0.000 0.813 177 D N -0.891 119.467 120.400 -0.071 0.000 2.338 177 D HA 0.071 4.711 4.640 -0.000 0.000 0.224 177 D C 0.995 177.284 176.300 -0.019 0.000 0.967 177 D CA 0.254 54.233 54.000 -0.036 0.000 0.896 177 D CB -0.208 40.578 40.800 -0.024 0.000 1.028 177 D HN 0.196 nan 8.370 nan 0.000 0.493 178 I N 3.013 123.567 120.570 -0.027 0.000 2.664 178 I HA -0.001 4.169 4.170 -0.000 0.000 0.284 178 I C 0.472 176.605 176.117 0.027 0.000 1.154 178 I CA -0.347 60.970 61.300 0.027 0.000 1.402 178 I CB 0.230 38.261 38.000 0.051 0.000 1.395 178 I HN -0.223 nan 8.210 nan 0.000 0.545 179 V N 6.385 126.324 119.914 0.041 0.000 2.472 179 V HA 0.641 4.761 4.120 -0.000 0.000 0.290 179 V C -0.379 175.757 176.094 0.069 0.000 1.037 179 V CA -0.681 61.640 62.300 0.035 0.000 0.908 179 V CB 1.914 33.742 31.823 0.008 0.000 0.985 179 V HN 0.728 nan 8.190 nan 0.000 0.454 180 I N 5.212 125.830 120.570 0.079 0.000 2.509 180 I HA 0.611 4.781 4.170 -0.000 0.000 0.293 180 I C -1.824 174.364 176.117 0.119 0.000 1.020 180 I CA -0.994 60.367 61.300 0.101 0.000 1.088 180 I CB 2.087 40.147 38.000 0.100 0.000 1.267 180 I HN 0.895 nan 8.210 nan 0.000 0.430 181 Y N 7.759 128.055 120.300 -0.005 0.000 2.341 181 Y HA 0.447 4.997 4.550 -0.000 0.000 0.338 181 Y C -1.022 174.903 175.900 0.042 0.000 0.965 181 Y CA -0.642 57.440 58.100 -0.031 0.000 1.108 181 Y CB 1.105 39.488 38.460 -0.129 0.000 1.180 181 Y HN 0.566 nan 8.280 nan 0.000 0.458 182 Q N 6.791 126.171 119.800 -0.700 0.000 2.337 182 Q HA 0.383 4.723 4.340 -0.000 0.000 0.266 182 Q C -2.117 173.509 176.000 -0.623 0.000 1.023 182 Q CA -0.811 54.671 55.803 -0.535 0.000 0.829 182 Q CB 2.741 31.296 28.738 -0.306 0.000 1.306 182 Q HN 0.966 nan 8.270 nan 0.000 0.449 183 Y N 4.524 124.572 120.300 -0.420 0.000 2.333 183 Y HA 0.243 4.793 4.550 -0.000 0.000 0.319 183 Y C 0.367 176.308 175.900 0.068 0.000 1.200 183 Y CA -0.808 57.184 58.100 -0.179 0.000 1.084 183 Y CB 0.949 39.432 38.460 0.037 0.000 1.268 183 Y HN 0.688 nan 8.280 nan 0.000 0.422 184 M N 2.094 121.526 119.600 -0.281 0.000 7.319 184 M HA -0.393 4.087 4.480 -0.000 0.000 0.279 184 M C 0.156 176.559 176.300 0.172 0.000 0.480 184 M CA 2.599 57.810 55.300 -0.148 0.000 1.311 184 M CB -1.546 30.809 32.600 -0.408 0.000 0.421 184 M HN 0.847 nan 8.290 nan 0.000 0.394 185 D N -0.438 120.031 120.400 0.116 0.000 2.500 185 D HA 0.222 4.862 4.640 -0.000 0.000 0.218 185 D C -0.338 176.022 176.300 0.100 0.000 1.140 185 D CA 0.042 54.145 54.000 0.171 0.000 0.830 185 D CB 0.564 41.446 40.800 0.136 0.000 1.055 185 D HN 0.421 nan 8.370 nan 0.000 0.512 186 D N 0.638 121.086 120.400 0.079 0.000 2.294 186 D HA 0.439 5.079 4.640 -0.000 0.000 0.250 186 D C 0.048 176.315 176.300 -0.054 0.000 1.058 186 D CA -0.083 53.918 54.000 0.001 0.000 0.950 186 D CB 1.821 42.694 40.800 0.121 0.000 1.158 186 D HN -0.126 nan 8.370 nan 0.000 0.453 187 L N 2.079 123.192 121.223 -0.184 0.000 2.568 187 L HA 0.242 4.582 4.340 -0.000 0.000 0.262 187 L C -1.375 175.361 176.870 -0.223 0.000 0.980 187 L CA -0.702 54.057 54.840 -0.135 0.000 0.882 187 L CB 0.844 42.840 42.059 -0.105 0.000 1.198 187 L HN 0.363 nan 8.230 nan 0.000 0.425 188 Y N 2.423 122.663 120.300 -0.101 0.000 2.336 188 Y HA 0.409 4.959 4.550 -0.000 0.000 0.335 188 Y C 0.335 176.207 175.900 -0.047 0.000 1.046 188 Y CA -0.503 57.522 58.100 -0.126 0.000 1.198 188 Y CB 1.533 39.894 38.460 -0.165 0.000 1.182 188 Y HN 0.150 nan 8.280 nan 0.000 0.502 189 V N 2.958 122.910 119.914 0.062 0.000 2.495 189 V HA 0.826 4.946 4.120 -0.000 0.000 0.298 189 V C 0.156 176.342 176.094 0.153 0.000 1.031 189 V CA -0.796 61.575 62.300 0.119 0.000 0.871 189 V CB 1.638 33.536 31.823 0.126 0.000 0.988 189 V HN 0.908 nan 8.190 nan 0.000 0.432 190 G N 2.247 111.126 108.800 0.131 0.000 2.638 190 G HA2 0.740 4.699 3.960 -0.000 0.000 0.302 190 G HA3 0.740 4.699 3.960 -0.000 0.000 0.302 190 G C -0.696 174.249 174.900 0.075 0.000 1.365 190 G CA -0.256 44.887 45.100 0.071 0.000 0.987 190 G HN 0.935 nan 8.290 nan 0.000 0.495 191 S N -0.168 115.535 115.700 0.004 0.000 2.704 191 S HA 0.642 5.111 4.470 -0.000 0.000 0.296 191 S C -0.854 173.746 174.600 -0.000 0.000 1.138 191 S CA -0.766 57.466 58.200 0.054 0.000 0.875 191 S CB 2.624 65.955 63.200 0.219 0.000 1.151 191 S HN 0.251 nan 8.310 nan 0.000 0.500 192 D N 0.303 120.720 120.400 0.027 0.000 2.501 192 D HA 0.391 5.031 4.640 -0.000 0.000 0.226 192 D C -0.694 175.625 176.300 0.031 0.000 1.198 192 D CA 0.034 54.045 54.000 0.019 0.000 0.830 192 D CB 0.002 40.813 40.800 0.018 0.000 1.014 192 D HN 0.464 nan 8.370 nan 0.000 0.496 193 L N 1.386 122.641 121.223 0.053 0.000 2.313 193 L HA 0.308 4.648 4.340 -0.000 0.000 0.283 193 L C 0.734 177.655 176.870 0.086 0.000 1.013 193 L CA -1.117 53.767 54.840 0.074 0.000 0.816 193 L CB 1.571 43.693 42.059 0.104 0.000 1.236 193 L HN -0.046 nan 8.230 nan 0.000 0.419 194 E N 3.351 123.592 120.200 0.069 0.000 2.508 194 E HA -0.167 4.183 4.350 -0.000 0.000 0.266 194 E C 1.029 177.697 176.600 0.114 0.000 1.010 194 E CA -0.092 56.350 56.400 0.070 0.000 0.955 194 E CB 0.966 30.701 29.700 0.057 0.000 0.946 194 E HN 0.645 nan 8.360 nan 0.000 0.454 195 I N 4.494 125.132 120.570 0.113 0.000 2.231 195 I HA -0.310 3.859 4.170 -0.000 0.000 0.251 195 I C 1.748 177.964 176.117 0.165 0.000 1.076 195 I CA 2.771 64.172 61.300 0.169 0.000 1.347 195 I CB -0.764 37.317 38.000 0.136 0.000 1.038 195 I HN 0.732 nan 8.210 nan 0.000 0.429 196 G N -1.102 107.766 108.800 0.114 0.000 2.604 196 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.216 196 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.216 196 G C 1.504 176.458 174.900 0.090 0.000 1.265 196 G CA 2.101 47.255 45.100 0.090 0.000 0.804 196 G HN 0.618 nan 8.290 nan 0.000 0.579 197 Q N 0.073 119.927 119.800 0.090 0.000 1.985 197 Q HA -0.262 4.078 4.340 -0.000 0.000 0.207 197 Q C 2.327 178.387 176.000 0.101 0.000 0.996 197 Q CA 2.515 58.368 55.803 0.084 0.000 0.851 197 Q CB -1.401 27.384 28.738 0.078 0.000 0.921 197 Q HN 0.876 nan 8.270 nan 0.000 0.418 198 H N 0.336 119.438 119.070 0.053 0.000 2.272 198 H HA -0.176 4.380 4.556 -0.000 0.000 0.289 198 H C 2.148 177.517 175.328 0.069 0.000 1.100 198 H CA 2.642 58.725 56.048 0.058 0.000 1.209 198 H CB -0.110 29.681 29.762 0.049 0.000 1.348 198 H HN 0.533 nan 8.280 nan 0.000 0.481 199 R N -0.739 119.697 120.500 -0.106 0.000 2.159 199 R HA -0.121 4.219 4.340 -0.000 0.000 0.237 199 R C 2.292 178.542 176.300 -0.082 0.000 1.131 199 R CA 1.629 57.650 56.100 -0.132 0.000 0.982 199 R CB -0.337 29.995 30.300 0.054 0.000 0.868 199 R HN 0.484 nan 8.270 nan 0.000 0.453 200 T N 1.065 115.605 114.554 -0.024 0.000 2.674 200 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 200 T C 1.666 176.373 174.700 0.011 0.000 1.039 200 T CA 1.056 63.162 62.100 0.010 0.000 1.150 200 T CB -0.009 68.879 68.868 0.035 0.000 0.864 200 T HN 0.078 nan 8.240 nan 0.000 0.427 201 K N 0.771 121.175 120.400 0.006 0.000 2.280 201 K HA 0.088 4.408 4.320 -0.000 0.000 0.202 201 K C 2.017 178.645 176.600 0.046 0.000 1.047 201 K CA 0.557 56.900 56.287 0.092 0.000 0.942 201 K CB -0.363 32.211 32.500 0.122 0.000 0.739 201 K HN 0.336 nan 8.250 nan 0.000 0.457 202 I N 0.483 120.979 120.570 -0.123 0.000 2.339 202 I HA -0.121 4.048 4.170 -0.000 0.000 0.245 202 I C 2.259 178.331 176.117 -0.075 0.000 1.096 202 I CA 0.879 62.100 61.300 -0.131 0.000 1.408 202 I CB -0.904 36.972 38.000 -0.206 0.000 1.092 202 I HN 0.092 nan 8.210 nan 0.000 0.423 203 E N 1.446 121.619 120.200 -0.044 0.000 2.085 203 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 203 E C 2.049 178.640 176.600 -0.015 0.000 0.994 203 E CA 1.604 57.996 56.400 -0.013 0.000 0.801 203 E CB -0.132 29.573 29.700 0.007 0.000 0.743 203 E HN 0.406 nan 8.360 nan 0.000 0.453 204 E N -0.531 119.672 120.200 0.004 0.000 2.013 204 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 204 E C 2.162 178.721 176.600 -0.068 0.000 1.018 204 E CA 1.510 57.933 56.400 0.038 0.000 0.834 204 E CB -0.397 29.391 29.700 0.146 0.000 0.770 204 E HN 0.284 nan 8.360 nan 0.000 0.459 205 L N 1.521 122.561 121.223 -0.305 0.000 2.089 205 L HA -0.268 4.072 4.340 -0.000 0.000 0.213 205 L C 2.378 179.079 176.870 -0.281 0.000 1.079 205 L CA 1.941 56.320 54.840 -0.769 0.000 0.758 205 L CB -0.461 41.005 42.059 -0.988 0.000 0.891 205 L HN 0.094 nan 8.230 nan 0.000 0.433 206 R N -0.870 119.536 120.500 -0.158 0.000 2.132 206 R HA -0.243 4.097 4.340 -0.000 0.000 0.233 206 R C 2.297 178.575 176.300 -0.037 0.000 1.125 206 R CA 2.427 58.482 56.100 -0.075 0.000 0.914 206 R CB -0.440 29.839 30.300 -0.036 0.000 0.845 206 R HN 0.512 nan 8.270 nan 0.000 0.431 207 Q N -0.408 119.387 119.800 -0.007 0.000 2.135 207 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 207 Q C 2.042 178.067 176.000 0.041 0.000 0.981 207 Q CA 1.623 57.437 55.803 0.019 0.000 0.856 207 Q CB -0.856 27.902 28.738 0.033 0.000 0.902 207 Q HN 0.643 nan 8.270 nan 0.000 0.425 208 H N 0.784 119.844 119.070 -0.016 0.000 2.319 208 H HA -0.122 4.434 4.556 -0.000 0.000 0.297 208 H C 2.056 177.497 175.328 0.189 0.000 1.097 208 H CA 1.519 57.606 56.048 0.065 0.000 1.285 208 H CB 0.023 29.763 29.762 -0.036 0.000 1.368 208 H HN 0.191 nan 8.280 nan 0.000 0.495 209 L N 0.201 121.336 121.223 -0.147 0.000 2.017 209 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 209 L C 2.890 179.777 176.870 0.028 0.000 1.073 209 L CA 0.774 55.555 54.840 -0.097 0.000 0.745 209 L CB -0.496 41.524 42.059 -0.064 0.000 0.894 209 L HN 0.235 nan 8.230 nan 0.000 0.432 210 L N 0.181 121.407 121.223 0.006 0.000 2.129 210 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 210 L C 2.563 179.428 176.870 -0.010 0.000 1.087 210 L CA 1.723 56.570 54.840 0.012 0.000 0.757 210 L CB -0.560 41.501 42.059 0.003 0.000 0.896 210 L HN 0.147 nan 8.230 nan 0.000 0.434 211 R N -2.423 118.047 120.500 -0.050 0.000 2.276 211 R HA -0.121 4.219 4.340 -0.000 0.000 0.203 211 R C 1.087 177.199 176.300 -0.313 0.000 1.017 211 R CA 1.076 57.073 56.100 -0.171 0.000 1.010 211 R CB -0.291 29.880 30.300 -0.214 0.000 0.900 211 R HN 0.428 nan 8.270 nan 0.000 0.469 212 W N -0.156 121.069 121.300 -0.125 0.000 3.239 212 W HA 0.260 4.920 4.660 -0.000 0.000 0.368 212 W C 1.114 177.605 176.519 -0.047 0.000 1.154 212 W CA 0.453 57.739 57.345 -0.097 0.000 1.860 212 W CB 0.763 30.128 29.460 -0.158 0.000 1.094 212 W HN 0.242 nan 8.180 nan 0.000 0.643 213 G N 0.509 109.365 108.800 0.093 0.000 2.179 213 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 213 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 213 G C 0.186 175.141 174.900 0.092 0.000 0.977 213 G CA -0.154 44.993 45.100 0.077 0.000 0.641 213 G HN 0.142 nan 8.290 nan 0.000 0.533 214 L N 2.734 124.023 121.223 0.110 0.000 2.342 214 L HA 0.378 4.718 4.340 -0.000 0.000 0.285 214 L C 1.045 177.948 176.870 0.056 0.000 1.095 214 L CA 0.397 55.291 54.840 0.090 0.000 0.843 214 L CB 0.664 42.774 42.059 0.086 0.000 1.201 214 L HN 0.363 nan 8.230 nan 0.000 0.445 215 T N -0.946 113.641 114.554 0.055 0.000 2.728 215 T HA 0.289 4.639 4.350 -0.000 0.000 0.296 215 T C 0.371 175.093 174.700 0.037 0.000 0.940 215 T CA -0.805 61.318 62.100 0.039 0.000 1.013 215 T CB 0.864 69.754 68.868 0.037 0.000 0.912 215 T HN 0.582 nan 8.240 nan 0.000 0.484 216 T N 1.486 116.055 114.554 0.025 0.000 2.811 216 T HA 0.362 4.712 4.350 -0.000 0.000 0.309 216 T C -1.995 172.719 174.700 0.023 0.000 1.005 216 T CA -2.075 60.039 62.100 0.024 0.000 0.955 216 T CB 0.628 69.502 68.868 0.011 0.000 0.970 216 T HN 0.433 nan 8.240 nan 0.000 0.496 217 P HA 0.127 nan 4.420 nan 0.000 0.248 217 P C -1.014 176.301 177.300 0.024 0.000 1.553 217 P CA 0.188 63.303 63.100 0.025 0.000 0.901 217 P CB -0.431 31.286 31.700 0.029 0.000 1.816 218 D N 0.871 121.285 120.400 0.022 0.000 2.470 218 D HA 0.093 4.733 4.640 -0.000 0.000 0.233 218 D C 0.715 177.025 176.300 0.018 0.000 1.372 218 D CA -0.565 53.448 54.000 0.023 0.000 0.994 218 D CB 1.654 42.476 40.800 0.037 0.000 1.377 218 D HN -0.068 nan 8.370 nan 0.000 0.586 219 K N 0.617 121.023 120.400 0.009 0.000 2.057 219 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 219 K C 1.156 177.759 176.600 0.006 0.000 1.049 219 K CA 1.053 57.343 56.287 0.006 0.000 0.931 219 K CB 0.446 32.947 32.500 0.001 0.000 0.714 219 K HN 0.280 nan 8.250 nan 0.000 0.440 220 K N 0.209 120.603 120.400 -0.011 0.000 2.247 220 K HA 0.085 4.405 4.320 -0.000 0.000 0.264 220 K C -0.488 176.117 176.600 0.008 0.000 1.034 220 K CA -0.532 55.739 56.287 -0.027 0.000 1.129 220 K CB 0.803 33.231 32.500 -0.120 0.000 1.646 220 K HN 0.151 nan 8.250 nan 0.000 0.738 221 H N 0.981 120.080 119.070 0.048 0.000 2.519 221 H HA 0.137 4.693 4.556 -0.000 0.000 0.316 221 H C -0.257 175.115 175.328 0.074 0.000 1.065 221 H CA -0.468 55.614 56.048 0.056 0.000 1.264 221 H CB 1.015 30.825 29.762 0.080 0.000 1.413 221 H HN 0.525 nan 8.280 nan 0.000 0.465 222 Q N 1.694 121.564 119.800 0.117 0.000 2.408 222 Q HA 0.101 4.441 4.340 -0.000 0.000 0.214 222 Q C 0.254 176.377 176.000 0.206 0.000 0.957 222 Q CA -0.062 55.799 55.803 0.097 0.000 0.965 222 Q CB -0.532 28.251 28.738 0.075 0.000 0.991 222 Q HN 0.638 nan 8.270 nan 0.000 0.505 223 K N 1.661 122.298 120.400 0.395 0.000 2.401 223 K HA 0.096 4.416 4.320 -0.000 0.000 0.278 223 K C -0.356 176.483 176.600 0.400 0.000 1.018 223 K CA 0.062 56.684 56.287 0.557 0.000 0.981 223 K CB 0.131 33.059 32.500 0.713 0.000 0.933 223 K HN 0.538 nan 8.250 nan 0.000 0.477 224 E N 2.876 123.268 120.200 0.320 0.000 3.117 224 E HA 0.188 4.537 4.350 -0.000 0.000 0.262 224 E C -2.631 173.869 176.600 -0.167 0.000 1.202 224 E CA -1.698 54.751 56.400 0.082 0.000 0.853 224 E CB 1.244 31.008 29.700 0.105 0.000 1.426 224 E HN 0.526 nan 8.360 nan 0.000 0.387 225 P HA -0.006 nan 4.420 nan 0.000 0.266 225 P C -2.205 174.961 177.300 -0.223 0.000 1.193 225 P CA -0.600 62.147 63.100 -0.588 0.000 0.770 225 P CB -0.008 31.448 31.700 -0.406 0.000 0.836 226 P HA 0.186 nan 4.420 nan 0.000 0.274 226 P C -0.904 176.227 177.300 -0.282 0.000 1.237 226 P CA -0.143 62.697 63.100 -0.434 0.000 0.793 226 P CB 0.484 31.744 31.700 -0.733 0.000 0.977 227 F N 0.785 120.801 119.950 0.110 0.000 2.424 227 F HA 0.211 4.738 4.527 -0.000 0.000 0.356 227 F C 1.150 177.124 175.800 0.290 0.000 1.110 227 F CA -0.615 57.533 58.000 0.247 0.000 1.161 227 F CB 0.302 39.527 39.000 0.375 0.000 1.115 227 F HN 0.131 nan 8.300 nan 0.000 0.507 228 L N 5.354 126.863 121.223 0.477 0.000 2.384 228 L HA 0.294 4.634 4.340 -0.000 0.000 0.258 228 L C -1.202 175.948 176.870 0.466 0.000 1.266 228 L CA -0.120 54.947 54.840 0.378 0.000 1.162 228 L CB -0.339 41.872 42.059 0.252 0.000 1.375 228 L HN 0.669 nan 8.230 nan 0.000 0.420 229 W N 6.498 128.004 121.300 0.343 0.000 2.632 229 W HA 0.456 5.116 4.660 -0.000 0.000 0.328 229 W C 0.104 176.843 176.519 0.367 0.000 1.044 229 W CA -1.055 56.490 57.345 0.333 0.000 1.225 229 W CB 1.153 30.774 29.460 0.269 0.000 1.396 229 W HN 0.290 nan 8.180 nan 0.000 0.499 230 M N 5.722 124.965 119.600 -0.594 0.000 2.076 230 M HA -0.215 4.265 4.480 -0.000 0.000 0.192 230 M C 1.099 177.271 176.300 -0.213 0.000 0.303 230 M CA 1.879 56.800 55.300 -0.632 0.000 0.368 230 M CB -2.340 29.420 32.600 -1.399 0.000 0.992 230 M HN 1.286 nan 8.290 nan 0.000 0.948 231 G N -1.341 107.386 108.800 -0.123 0.000 2.136 231 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.242 231 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.242 231 G C -0.360 174.574 174.900 0.056 0.000 0.989 231 G CA 0.367 45.347 45.100 -0.199 0.000 0.682 231 G HN 0.604 nan 8.290 nan 0.000 0.522 232 Y N -0.479 120.038 120.300 0.363 0.000 2.605 232 Y HA 0.667 5.216 4.550 -0.000 0.000 0.343 232 Y C 0.329 176.463 175.900 0.391 0.000 1.036 232 Y CA -1.118 57.265 58.100 0.472 0.000 1.065 232 Y CB 1.461 40.249 38.460 0.546 0.000 1.288 232 Y HN 0.096 nan 8.280 nan 0.000 0.481 233 E N 2.115 122.642 120.200 0.546 0.000 2.176 233 E HA 0.460 4.810 4.350 -0.000 0.000 0.267 233 E C -1.519 175.269 176.600 0.313 0.000 0.893 233 E CA -0.580 56.011 56.400 0.318 0.000 0.761 233 E CB 1.930 31.741 29.700 0.185 0.000 1.133 233 E HN 0.408 nan 8.360 nan 0.000 0.409 234 L N 4.382 125.758 121.223 0.256 0.000 2.272 234 L HA 0.421 4.761 4.340 -0.000 0.000 0.289 234 L C 0.179 177.093 176.870 0.073 0.000 1.032 234 L CA -0.554 54.488 54.840 0.337 0.000 0.810 234 L CB 0.513 42.869 42.059 0.495 0.000 1.205 234 L HN 0.464 nan 8.230 nan 0.000 0.422 235 H N 3.080 122.341 119.070 0.319 0.000 2.858 235 H HA 0.363 4.919 4.556 -0.000 0.000 0.318 235 H C -1.868 173.580 175.328 0.201 0.000 1.419 235 H CA -1.906 54.238 56.048 0.161 0.000 1.373 235 H CB 1.472 31.274 29.762 0.066 0.000 1.915 235 H HN 0.275 nan 8.280 nan 0.000 0.704 236 P HA 0.094 nan 4.420 nan 0.000 0.257 236 P C -0.094 177.256 177.300 0.084 0.000 1.325 236 P CA 1.008 64.223 63.100 0.190 0.000 0.850 236 P CB 0.478 32.255 31.700 0.129 0.000 1.324 237 D N -1.714 118.650 120.400 -0.061 0.000 2.649 237 D HA -0.017 4.623 4.640 -0.000 0.000 0.507 237 D C -0.247 175.910 176.300 -0.238 0.000 1.091 237 D CA 0.032 53.938 54.000 -0.156 0.000 1.076 237 D CB 0.109 40.883 40.800 -0.043 0.000 1.647 237 D HN 0.061 nan 8.370 nan 0.000 0.356 238 K N 0.525 120.804 120.400 -0.202 0.000 2.469 238 K HA 0.595 4.915 4.320 -0.000 0.000 0.254 238 K C -1.156 175.484 176.600 0.067 0.000 0.939 238 K CA -0.996 55.245 56.287 -0.076 0.000 0.812 238 K CB 1.896 34.393 32.500 -0.005 0.000 1.301 238 K HN 0.116 nan 8.250 nan 0.000 0.433 239 W N 1.195 122.553 121.300 0.098 0.000 3.138 239 W HA 0.652 5.312 4.660 -0.000 0.000 0.331 239 W C -1.741 174.939 176.519 0.267 0.000 1.166 239 W CA -0.816 56.700 57.345 0.286 0.000 1.212 239 W CB 1.425 31.160 29.460 0.458 0.000 1.399 239 W HN 0.670 nan 8.180 nan 0.000 0.514 240 T N 0.963 115.547 114.554 0.051 0.000 2.645 240 T HA 0.457 4.807 4.350 -0.000 0.000 0.300 240 T C -0.831 174.055 174.700 0.311 0.000 1.210 240 T CA -0.489 61.481 62.100 -0.216 0.000 1.034 240 T CB 1.724 70.541 68.868 -0.086 0.000 1.537 240 T HN 0.322 nan 8.240 nan 0.000 0.492 241 V N 1.250 121.305 119.914 0.235 0.000 2.834 241 V HA 0.427 4.547 4.120 -0.000 0.000 0.313 241 V C 0.123 176.398 176.094 0.303 0.000 1.060 241 V CA -0.835 61.685 62.300 0.367 0.000 0.989 241 V CB 1.615 33.701 31.823 0.437 0.000 1.041 241 V HN 0.741 nan 8.190 nan 0.000 0.459 242 Q N 2.023 121.980 119.800 0.262 0.000 2.443 242 Q HA 0.239 4.579 4.340 -0.000 0.000 0.232 242 Q C -2.308 173.778 176.000 0.142 0.000 1.026 242 Q CA -1.522 54.385 55.803 0.172 0.000 0.924 242 Q CB 0.045 28.846 28.738 0.106 0.000 1.256 242 Q HN 0.472 nan 8.270 nan 0.000 0.519 243 P HA -0.144 nan 4.420 nan 0.000 0.252 243 P C -1.035 176.296 177.300 0.052 0.000 1.147 243 P CA 1.161 64.307 63.100 0.077 0.000 0.779 243 P CB 0.044 31.776 31.700 0.053 0.000 0.733 244 I N 4.264 124.869 120.570 0.059 0.000 2.377 244 I HA 0.094 4.264 4.170 -0.000 0.000 0.282 244 I C -0.032 176.088 176.117 0.004 0.000 1.091 244 I CA -0.804 60.517 61.300 0.035 0.000 1.207 244 I CB 0.751 38.793 38.000 0.070 0.000 1.429 244 I HN -0.014 nan 8.210 nan 0.000 0.491 245 V N 6.513 126.430 119.914 0.004 0.000 2.405 245 V HA 0.111 4.231 4.120 -0.000 0.000 0.264 245 V C 0.115 176.219 176.094 0.016 0.000 1.048 245 V CA -0.364 61.939 62.300 0.005 0.000 0.966 245 V CB 1.150 32.975 31.823 0.004 0.000 1.015 245 V HN 0.391 nan 8.190 nan 0.000 0.477 246 L N 9.635 130.871 121.223 0.022 0.000 2.259 246 L HA 0.560 4.900 4.340 -0.000 0.000 0.288 246 L C -1.683 175.245 176.870 0.098 0.000 1.051 246 L CA -1.462 53.412 54.840 0.056 0.000 0.824 246 L CB 0.645 42.725 42.059 0.034 0.000 1.206 246 L HN 0.444 nan 8.230 nan 0.000 0.429 247 P HA 0.045 nan 4.420 nan 0.000 0.273 247 P C -1.217 176.220 177.300 0.228 0.000 1.248 247 P CA 0.082 63.262 63.100 0.133 0.000 0.817 247 P CB 0.271 32.039 31.700 0.115 0.000 0.995 248 E N -1.616 118.636 120.200 0.086 0.000 2.683 248 E HA 0.332 4.682 4.350 -0.000 0.000 0.389 248 E C -0.974 175.583 176.600 -0.073 0.000 1.040 248 E CA -0.970 55.531 56.400 0.168 0.000 0.739 248 E CB 0.425 30.213 29.700 0.147 0.000 1.597 248 E HN 0.040 nan 8.360 nan 0.000 0.381 249 K N 1.225 121.380 120.400 -0.408 0.000 2.139 249 K HA 0.298 4.618 4.320 -0.000 0.000 0.243 249 K C 0.201 176.634 176.600 -0.278 0.000 0.983 249 K CA -0.627 55.369 56.287 -0.485 0.000 0.890 249 K CB 1.181 33.187 32.500 -0.825 0.000 1.090 249 K HN 0.261 nan 8.250 nan 0.000 0.445 250 D N -0.179 120.117 120.400 -0.174 0.000 2.347 250 D HA -0.014 4.626 4.640 -0.000 0.000 0.213 250 D C -0.434 175.849 176.300 -0.030 0.000 0.985 250 D CA 0.709 54.684 54.000 -0.041 0.000 0.879 250 D CB 0.445 41.225 40.800 -0.034 0.000 0.919 250 D HN 0.297 nan 8.370 nan 0.000 0.526 251 S N -0.372 115.219 115.700 -0.182 0.000 2.575 251 S HA 0.421 4.890 4.470 -0.000 0.000 0.278 251 S C -1.964 172.485 174.600 -0.250 0.000 1.139 251 S CA -0.768 57.378 58.200 -0.090 0.000 0.954 251 S CB 0.656 63.817 63.200 -0.064 0.000 1.054 251 S HN 0.001 nan 8.310 nan 0.000 0.483 252 W N 2.437 123.732 121.300 -0.007 0.000 2.532 252 W HA 0.643 5.303 4.660 -0.000 0.000 0.321 252 W C 0.599 177.114 176.519 -0.008 0.000 1.037 252 W CA -0.378 56.962 57.345 -0.008 0.000 1.220 252 W CB 1.197 30.652 29.460 -0.008 0.000 1.361 252 W HN 0.815 nan 8.180 nan 0.000 0.468 253 T N 0.231 114.900 114.554 0.191 0.000 2.936 253 T HA 0.427 4.777 4.350 -0.000 0.000 0.282 253 T C 1.245 176.024 174.700 0.131 0.000 1.003 253 T CA -0.190 61.980 62.100 0.117 0.000 1.005 253 T CB 0.718 69.617 68.868 0.053 0.000 1.097 253 T HN 0.685 nan 8.240 nan 0.000 0.532 254 V N 0.276 120.239 119.914 0.082 0.000 2.282 254 V HA -0.226 3.894 4.120 -0.000 0.000 0.249 254 V C 1.934 178.070 176.094 0.069 0.000 1.057 254 V CA 2.594 64.933 62.300 0.066 0.000 1.032 254 V CB -0.924 30.922 31.823 0.039 0.000 0.645 254 V HN 0.954 nan 8.190 nan 0.000 0.447 255 N N -0.264 118.471 118.700 0.059 0.000 2.459 255 N HA -0.199 4.541 4.740 -0.000 0.000 0.181 255 N C 1.485 177.046 175.510 0.085 0.000 1.046 255 N CA 1.263 54.344 53.050 0.052 0.000 0.904 255 N CB -0.174 38.330 38.487 0.029 0.000 0.964 255 N HN 0.634 nan 8.380 nan 0.000 0.444 256 D N 1.114 121.595 120.400 0.135 0.000 2.084 256 D HA -0.046 4.594 4.640 -0.000 0.000 0.199 256 D C 2.092 178.587 176.300 0.325 0.000 0.981 256 D CA 0.701 54.845 54.000 0.241 0.000 0.841 256 D CB -0.175 40.826 40.800 0.335 0.000 0.997 256 D HN 0.279 nan 8.370 nan 0.000 0.454 257 I N 1.214 121.947 120.570 0.272 0.000 2.208 257 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 257 I C 2.541 178.686 176.117 0.048 0.000 1.097 257 I CA 1.145 62.499 61.300 0.090 0.000 1.363 257 I CB -0.193 37.816 38.000 0.016 0.000 1.051 257 I HN 0.067 nan 8.210 nan 0.000 0.413 258 Q N 0.880 120.714 119.800 0.057 0.000 1.956 258 Q HA -0.283 4.057 4.340 -0.000 0.000 0.208 258 Q C 2.165 178.188 176.000 0.038 0.000 0.998 258 Q CA 1.852 57.676 55.803 0.035 0.000 0.855 258 Q CB -0.345 28.412 28.738 0.031 0.000 0.928 258 Q HN 0.430 nan 8.270 nan 0.000 0.418 259 K N 0.306 120.737 120.400 0.050 0.000 2.242 259 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 259 K C 2.004 178.634 176.600 0.050 0.000 1.045 259 K CA 1.149 57.461 56.287 0.042 0.000 0.930 259 K CB -0.275 32.254 32.500 0.049 0.000 0.726 259 K HN 0.108 nan 8.250 nan 0.000 0.462 260 L N 0.441 121.706 121.223 0.069 0.000 2.007 260 L HA -0.130 4.209 4.340 -0.000 0.000 0.205 260 L C 2.085 178.961 176.870 0.011 0.000 1.073 260 L CA 1.307 56.174 54.840 0.044 0.000 0.744 260 L CB -0.363 41.693 42.059 -0.006 0.000 0.898 260 L HN -0.118 nan 8.230 nan 0.000 0.435 261 V N 0.406 120.319 119.914 -0.002 0.000 2.252 261 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 261 V C 2.596 178.711 176.094 0.035 0.000 1.056 261 V CA 1.962 64.263 62.300 0.003 0.000 1.022 261 V CB -1.829 29.993 31.823 -0.001 0.000 0.641 261 V HN 0.668 nan 8.190 nan 0.000 0.445 262 G N -0.022 108.801 108.800 0.037 0.000 2.672 262 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.218 262 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.218 262 G C 1.561 176.512 174.900 0.085 0.000 1.238 262 G CA 1.381 46.513 45.100 0.053 0.000 0.791 262 G HN 0.495 nan 8.290 nan 0.000 0.606 263 K N -0.035 120.397 120.400 0.053 0.000 2.160 263 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 263 K C 2.560 179.238 176.600 0.130 0.000 1.047 263 K CA 0.903 57.234 56.287 0.072 0.000 0.930 263 K CB -0.271 32.249 32.500 0.034 0.000 0.720 263 K HN 0.329 nan 8.250 nan 0.000 0.450 264 L N 0.911 122.188 121.223 0.089 0.000 1.993 264 L HA -0.198 4.141 4.340 -0.000 0.000 0.206 264 L C 2.049 178.990 176.870 0.117 0.000 1.074 264 L CA 1.051 55.937 54.840 0.077 0.000 0.746 264 L CB -0.657 41.420 42.059 0.029 0.000 0.896 264 L HN 0.188 nan 8.230 nan 0.000 0.435 265 N N -0.163 118.604 118.700 0.111 0.000 2.037 265 N HA -0.302 4.438 4.740 -0.000 0.000 0.196 265 N C 1.532 177.144 175.510 0.170 0.000 1.034 265 N CA 1.797 54.918 53.050 0.117 0.000 0.861 265 N CB -0.670 37.884 38.487 0.112 0.000 1.039 265 N HN 0.527 nan 8.380 nan 0.000 0.427 266 W N 2.017 123.337 121.300 0.034 0.000 2.338 266 W HA -0.104 4.556 4.660 -0.000 0.000 0.304 266 W C 2.028 178.602 176.519 0.091 0.000 1.212 266 W CA 1.944 59.312 57.345 0.037 0.000 1.264 266 W CB -0.351 29.099 29.460 -0.016 0.000 1.142 266 W HN 0.078 nan 8.180 nan 0.000 0.512 267 A N 0.651 123.663 122.820 0.320 0.000 2.019 267 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 267 A C 2.038 179.772 177.584 0.251 0.000 1.164 267 A CA 2.197 54.430 52.037 0.327 0.000 0.644 267 A CB -1.244 17.906 19.000 0.250 0.000 0.805 267 A HN 0.379 nan 8.150 nan 0.000 0.449 268 S N -0.308 115.473 115.700 0.134 0.000 2.547 268 S HA -0.184 4.285 4.470 -0.000 0.000 0.235 268 S C 1.566 176.177 174.600 0.018 0.000 0.980 268 S CA 1.154 59.397 58.200 0.072 0.000 0.941 268 S CB -0.546 62.674 63.200 0.033 0.000 0.763 268 S HN 0.705 nan 8.310 nan 0.000 0.532 269 Q N -0.174 119.627 119.800 0.002 0.000 2.291 269 Q HA 0.246 4.586 4.340 -0.000 0.000 0.205 269 Q C 1.744 177.821 176.000 0.128 0.000 0.970 269 Q CA 1.340 57.182 55.803 0.065 0.000 0.876 269 Q CB -0.059 28.718 28.738 0.065 0.000 0.935 269 Q HN 0.734 nan 8.270 nan 0.000 0.455 270 I N -2.252 118.322 120.570 0.007 0.000 4.967 270 I HA 0.030 4.200 4.170 -0.000 0.000 0.361 270 I C -0.738 175.225 176.117 -0.258 0.000 1.230 270 I CA -0.154 61.060 61.300 -0.142 0.000 1.420 270 I CB 1.086 38.878 38.000 -0.346 0.000 1.716 270 I HN -0.044 nan 8.210 nan 0.000 0.578 271 Y N 5.164 125.457 120.300 -0.011 0.000 2.691 271 Y HA 0.307 4.857 4.550 -0.000 0.000 0.338 271 Y C -1.991 173.900 175.900 -0.015 0.000 1.148 271 Y CA -2.508 55.586 58.100 -0.010 0.000 1.430 271 Y CB -0.044 38.419 38.460 0.004 0.000 1.303 271 Y HN 0.046 nan 8.280 nan 0.000 0.499 272 P HA -0.051 nan 4.420 nan 0.000 0.258 272 P C 0.894 178.227 177.300 0.055 0.000 1.172 272 P CA 1.534 64.658 63.100 0.039 0.000 0.762 272 P CB 1.010 32.725 31.700 0.026 0.000 0.764 273 G N 3.377 112.197 108.800 0.033 0.000 2.231 273 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.206 273 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.206 273 G C 0.225 175.139 174.900 0.023 0.000 0.996 273 G CA -0.506 44.611 45.100 0.028 0.000 0.645 273 G HN 0.480 nan 8.290 nan 0.000 0.498 274 I N 2.159 122.751 120.570 0.036 0.000 2.741 274 I HA 0.138 4.308 4.170 -0.000 0.000 0.288 274 I C 0.866 176.990 176.117 0.011 0.000 1.192 274 I CA 0.954 62.269 61.300 0.026 0.000 1.426 274 I CB 0.160 38.188 38.000 0.046 0.000 1.367 274 I HN 0.204 nan 8.210 nan 0.000 0.563 275 K N 5.098 125.496 120.400 -0.002 0.000 2.185 275 K HA 0.693 5.013 4.320 -0.000 0.000 0.240 275 K C 0.093 176.684 176.600 -0.016 0.000 0.983 275 K CA -0.723 55.559 56.287 -0.008 0.000 0.873 275 K CB 2.486 34.975 32.500 -0.018 0.000 1.118 275 K HN 0.330 nan 8.250 nan 0.000 0.441 276 V N 0.128 120.030 119.914 -0.020 0.000 3.968 276 V HA 0.005 4.125 4.120 -0.000 0.000 0.298 276 V C 1.509 177.583 176.094 -0.035 0.000 1.699 276 V CA -0.203 62.079 62.300 -0.029 0.000 1.282 276 V CB 0.253 32.066 31.823 -0.017 0.000 0.994 276 V HN 0.751 nan 8.190 nan 0.000 0.402 277 R N 1.007 121.489 120.500 -0.030 0.000 2.103 277 R HA -0.220 4.120 4.340 -0.000 0.000 0.234 277 R C 2.301 178.579 176.300 -0.036 0.000 1.132 277 R CA 2.471 58.552 56.100 -0.032 0.000 0.925 277 R CB -0.087 30.200 30.300 -0.023 0.000 0.842 277 R HN 0.420 nan 8.270 nan 0.000 0.430 278 Q N 0.600 120.376 119.800 -0.039 0.000 2.062 278 Q HA -0.231 4.109 4.340 -0.000 0.000 0.209 278 Q C 2.323 178.285 176.000 -0.063 0.000 0.996 278 Q CA 1.836 57.611 55.803 -0.047 0.000 0.859 278 Q CB -0.645 28.064 28.738 -0.050 0.000 0.920 278 Q HN 0.437 nan 8.270 nan 0.000 0.415 279 L N 0.738 121.912 121.223 -0.080 0.000 1.933 279 L HA -0.280 4.060 4.340 -0.000 0.000 0.220 279 L C 2.620 179.444 176.870 -0.077 0.000 1.078 279 L CA 1.992 56.768 54.840 -0.106 0.000 0.773 279 L CB -0.983 41.003 42.059 -0.122 0.000 0.890 279 L HN 0.321 nan 8.230 nan 0.000 0.434 280 S N -0.553 115.112 115.700 -0.057 0.000 2.407 280 S HA -0.337 4.133 4.470 -0.000 0.000 0.235 280 S C 1.910 176.491 174.600 -0.033 0.000 1.036 280 S CA 1.879 60.055 58.200 -0.039 0.000 1.013 280 S CB -0.593 62.590 63.200 -0.029 0.000 0.820 280 S HN 0.338 nan 8.310 nan 0.000 0.476 281 K N 1.102 121.481 120.400 -0.035 0.000 2.160 281 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 281 K C 2.040 178.625 176.600 -0.025 0.000 1.047 281 K CA 1.483 57.754 56.287 -0.027 0.000 0.930 281 K CB -0.445 32.038 32.500 -0.027 0.000 0.720 281 K HN 0.467 nan 8.250 nan 0.000 0.450 282 L N 0.835 122.037 121.223 -0.035 0.000 2.042 282 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 282 L C 1.007 177.867 176.870 -0.016 0.000 1.076 282 L CA 0.860 55.682 54.840 -0.031 0.000 0.749 282 L CB -0.347 41.682 42.059 -0.050 0.000 0.893 282 L HN 0.156 nan 8.230 nan 0.000 0.432 283 L N 1.678 122.891 121.223 -0.016 0.000 2.382 283 L HA 0.117 4.457 4.340 -0.000 0.000 0.259 283 L C 0.016 176.884 176.870 -0.004 0.000 1.291 283 L CA 0.224 55.061 54.840 -0.005 0.000 1.176 283 L CB -0.677 41.380 42.059 -0.003 0.000 1.373 283 L HN 0.183 nan 8.230 nan 0.000 0.426 284 R N 1.178 121.677 120.500 -0.003 0.000 2.439 284 R HA 0.383 4.723 4.340 -0.000 0.000 0.310 284 R C 0.911 177.212 176.300 0.001 0.000 0.955 284 R CA -0.201 55.897 56.100 -0.002 0.000 0.853 284 R CB 1.899 32.197 30.300 -0.004 0.000 1.171 284 R HN 0.616 nan 8.270 nan 0.000 0.449 285 G N 2.024 110.825 108.800 0.002 0.000 2.186 285 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.266 285 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.266 285 G C 0.439 175.342 174.900 0.005 0.000 0.982 285 G CA 0.898 46.000 45.100 0.003 0.000 0.670 285 G HN 0.554 nan 8.290 nan 0.000 0.533 286 T N 1.564 116.121 114.554 0.006 0.000 4.280 286 T HA 0.484 4.834 4.350 -0.000 0.000 0.245 286 T C 1.345 176.051 174.700 0.010 0.000 1.100 286 T CA 1.350 63.456 62.100 0.009 0.000 1.137 286 T CB -0.053 68.820 68.868 0.010 0.000 1.296 286 T HN 0.880 nan 8.240 nan 0.000 0.998 287 K N 0.499 120.904 120.400 0.009 0.000 2.699 287 K HA 0.682 5.002 4.320 -0.000 0.000 0.210 287 K C 0.637 177.242 176.600 0.009 0.000 1.076 287 K CA -0.066 56.226 56.287 0.008 0.000 1.109 287 K CB 0.289 32.793 32.500 0.007 0.000 0.862 287 K HN 0.532 nan 8.250 nan 0.000 0.470 288 A N 1.443 124.270 122.820 0.012 0.000 3.079 288 A HA 0.516 4.836 4.320 -0.000 0.000 0.315 288 A C 1.360 178.952 177.584 0.014 0.000 1.334 288 A CA -0.419 51.625 52.037 0.012 0.000 1.048 288 A CB -0.793 18.215 19.000 0.014 0.000 1.156 288 A HN 0.453 nan 8.150 nan 0.000 0.523 289 L N 0.568 121.798 121.223 0.011 0.000 2.223 289 L HA -0.242 4.098 4.340 -0.000 0.000 0.230 289 L C 1.671 178.549 176.870 0.014 0.000 1.110 289 L CA 2.359 57.205 54.840 0.011 0.000 0.834 289 L CB -1.010 41.053 42.059 0.006 0.000 0.915 289 L HN 0.561 nan 8.230 nan 0.000 0.450 290 T N -0.163 114.398 114.554 0.012 0.000 3.418 290 T HA 0.334 4.684 4.350 -0.000 0.000 0.315 290 T C -0.632 174.077 174.700 0.014 0.000 1.447 290 T CA -0.585 61.522 62.100 0.012 0.000 1.641 290 T CB -0.239 68.631 68.868 0.003 0.000 0.904 290 T HN 0.108 nan 8.240 nan 0.000 0.640 291 E N 2.213 122.427 120.200 0.023 0.000 2.316 291 E HA 0.234 4.584 4.350 -0.000 0.000 0.254 291 E C -0.153 176.469 176.600 0.036 0.000 0.902 291 E CA -0.517 55.897 56.400 0.023 0.000 0.801 291 E CB 1.920 31.632 29.700 0.020 0.000 1.270 291 E HN 0.450 nan 8.360 nan 0.000 0.414 292 V N 4.792 124.727 119.914 0.036 0.000 2.790 292 V HA -0.069 4.051 4.120 -0.000 0.000 0.304 292 V C -0.033 176.098 176.094 0.061 0.000 1.142 292 V CA 0.947 63.279 62.300 0.054 0.000 1.282 292 V CB 0.008 31.855 31.823 0.040 0.000 0.877 292 V HN 0.538 nan 8.190 nan 0.000 0.504 293 I N 7.880 128.503 120.570 0.090 0.000 2.468 293 I HA 0.363 4.533 4.170 -0.000 0.000 0.284 293 I C -2.430 173.738 176.117 0.085 0.000 1.038 293 I CA -1.798 59.545 61.300 0.072 0.000 1.083 293 I CB 2.020 40.056 38.000 0.060 0.000 1.223 293 I HN 0.522 nan 8.210 nan 0.000 0.443 294 P HA 0.182 nan 4.420 nan 0.000 0.267 294 P C -0.108 177.207 177.300 0.025 0.000 1.209 294 P CA -0.013 63.122 63.100 0.059 0.000 0.763 294 P CB 0.492 32.216 31.700 0.040 0.000 0.816 295 L N 2.265 123.495 121.223 0.011 0.000 2.468 295 L HA 0.206 4.546 4.340 -0.000 0.000 0.253 295 L C 0.843 177.691 176.870 -0.037 0.000 1.237 295 L CA 0.379 55.183 54.840 -0.060 0.000 0.823 295 L CB 0.000 41.981 42.059 -0.130 0.000 1.124 295 L HN 0.359 nan 8.230 nan 0.000 0.504 296 T N -1.372 113.150 114.554 -0.053 0.000 2.885 296 T HA 0.184 4.534 4.350 -0.000 0.000 0.285 296 T C 0.748 175.425 174.700 -0.037 0.000 1.019 296 T CA -0.748 61.331 62.100 -0.035 0.000 1.010 296 T CB 1.785 70.634 68.868 -0.032 0.000 1.022 296 T HN 0.542 nan 8.240 nan 0.000 0.466 297 E N 1.059 121.245 120.200 -0.024 0.000 2.164 297 E HA -0.286 4.064 4.350 -0.000 0.000 0.206 297 E C 1.781 178.362 176.600 -0.031 0.000 1.032 297 E CA 1.587 57.974 56.400 -0.021 0.000 0.832 297 E CB -0.009 29.683 29.700 -0.014 0.000 0.742 297 E HN 0.596 nan 8.360 nan 0.000 0.460 298 E N 0.937 121.117 120.200 -0.033 0.000 2.023 298 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 298 E C 2.241 178.808 176.600 -0.055 0.000 1.003 298 E CA 1.337 57.715 56.400 -0.037 0.000 0.809 298 E CB -0.677 29.004 29.700 -0.032 0.000 0.755 298 E HN 0.331 nan 8.360 nan 0.000 0.449 299 A N 1.699 124.476 122.820 -0.072 0.000 1.883 299 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 299 A C 2.227 179.735 177.584 -0.127 0.000 1.186 299 A CA 2.176 54.146 52.037 -0.112 0.000 0.624 299 A CB -0.553 18.363 19.000 -0.141 0.000 0.822 299 A HN 0.250 nan 8.150 nan 0.000 0.444 300 E N -0.087 120.051 120.200 -0.104 0.000 2.058 300 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 300 E C 1.807 178.369 176.600 -0.064 0.000 0.997 300 E CA 1.488 57.835 56.400 -0.088 0.000 0.801 300 E CB -0.597 29.075 29.700 -0.047 0.000 0.746 300 E HN 0.378 nan 8.360 nan 0.000 0.450 301 L N 1.380 122.573 121.223 -0.049 0.000 2.012 301 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 301 L C 2.318 179.162 176.870 -0.043 0.000 1.073 301 L CA 2.533 57.351 54.840 -0.037 0.000 0.748 301 L CB -1.065 40.977 42.059 -0.029 0.000 0.891 301 L HN 0.357 nan 8.230 nan 0.000 0.431 302 E N -0.719 119.449 120.200 -0.053 0.000 2.012 302 E HA -0.300 4.050 4.350 -0.000 0.000 0.197 302 E C 2.257 178.820 176.600 -0.062 0.000 1.007 302 E CA 1.835 58.203 56.400 -0.053 0.000 0.816 302 E CB -0.417 29.247 29.700 -0.061 0.000 0.762 302 E HN 0.405 nan 8.360 nan 0.000 0.451 303 L N 1.175 122.345 121.223 -0.090 0.000 2.034 303 L HA -0.272 4.068 4.340 -0.000 0.000 0.217 303 L C 2.199 179.033 176.870 -0.060 0.000 1.077 303 L CA 2.529 57.309 54.840 -0.100 0.000 0.769 303 L CB -1.064 40.901 42.059 -0.157 0.000 0.890 303 L HN 0.268 nan 8.230 nan 0.000 0.435 304 A N -0.540 122.252 122.820 -0.047 0.000 1.836 304 A HA -0.307 4.013 4.320 -0.000 0.000 0.215 304 A C 2.102 179.670 177.584 -0.027 0.000 1.214 304 A CA 2.031 54.052 52.037 -0.027 0.000 0.636 304 A CB -1.140 17.848 19.000 -0.021 0.000 0.847 304 A HN 0.598 nan 8.150 nan 0.000 0.451 305 E N -0.325 119.860 120.200 -0.026 0.000 2.208 305 E HA -0.244 4.106 4.350 -0.000 0.000 0.202 305 E C 1.855 178.440 176.600 -0.026 0.000 1.014 305 E CA 1.266 57.654 56.400 -0.022 0.000 0.819 305 E CB -0.241 29.447 29.700 -0.020 0.000 0.735 305 E HN 0.538 nan 8.360 nan 0.000 0.469 306 N N 0.393 119.072 118.700 -0.036 0.000 2.142 306 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 306 N C 1.687 177.161 175.510 -0.059 0.000 1.023 306 N CA 0.862 53.886 53.050 -0.044 0.000 0.852 306 N CB -0.075 38.383 38.487 -0.048 0.000 0.998 306 N HN 0.155 nan 8.380 nan 0.000 0.424 307 R N 0.750 121.222 120.500 -0.047 0.000 2.091 307 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 307 R C 1.900 178.172 176.300 -0.046 0.000 1.136 307 R CA 1.016 57.090 56.100 -0.045 0.000 0.959 307 R CB -0.122 30.165 30.300 -0.021 0.000 0.856 307 R HN 0.125 nan 8.270 nan 0.000 0.437 308 E N 0.899 121.080 120.200 -0.032 0.000 2.077 308 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 308 E C 1.741 178.328 176.600 -0.022 0.000 0.989 308 E CA 1.216 57.603 56.400 -0.021 0.000 0.800 308 E CB -0.071 29.622 29.700 -0.011 0.000 0.746 308 E HN 0.297 nan 8.360 nan 0.000 0.452 309 I N -0.055 120.497 120.570 -0.030 0.000 2.315 309 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 309 I C 2.064 178.132 176.117 -0.082 0.000 1.117 309 I CA 0.657 61.948 61.300 -0.015 0.000 1.404 309 I CB -0.186 37.815 38.000 0.003 0.000 1.071 309 I HN 0.100 nan 8.210 nan 0.000 0.419 310 L N 0.206 121.317 121.223 -0.188 0.000 2.109 310 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 310 L C 2.435 179.198 176.870 -0.179 0.000 1.086 310 L CA 0.813 55.442 54.840 -0.351 0.000 0.760 310 L CB -0.564 41.307 42.059 -0.312 0.000 0.910 310 L HN 0.081 nan 8.230 nan 0.000 0.437 311 K N 0.997 121.347 120.400 -0.083 0.000 2.304 311 K HA -0.179 4.141 4.320 -0.000 0.000 0.204 311 K C 0.670 177.271 176.600 0.002 0.000 1.044 311 K CA 0.997 57.265 56.287 -0.031 0.000 0.932 311 K CB -0.202 32.289 32.500 -0.015 0.000 0.735 311 K HN 0.358 nan 8.250 nan 0.000 0.468 312 E N 0.084 120.301 120.200 0.029 0.000 2.224 312 E HA 0.262 4.612 4.350 -0.000 0.000 0.265 312 E C -2.698 174.002 176.600 0.167 0.000 0.878 312 E CA -2.596 53.848 56.400 0.073 0.000 0.759 312 E CB 1.063 30.801 29.700 0.063 0.000 1.164 312 E HN -0.147 nan 8.360 nan 0.000 0.414 313 P HA 0.133 nan 4.420 nan 0.000 0.271 313 P C -0.447 176.965 177.300 0.186 0.000 1.233 313 P CA -0.367 62.880 63.100 0.245 0.000 0.795 313 P CB 0.687 32.467 31.700 0.133 0.000 0.936 314 V N 0.909 120.852 119.914 0.047 0.000 2.823 314 V HA 0.202 4.322 4.120 -0.000 0.000 0.296 314 V C -0.149 175.817 176.094 -0.213 0.000 1.250 314 V CA -0.728 61.506 62.300 -0.110 0.000 0.939 314 V CB 1.591 33.217 31.823 -0.328 0.000 1.062 314 V HN 0.883 nan 8.190 nan 0.000 0.433 315 H N 2.111 121.008 119.070 -0.289 0.000 2.525 315 H HA 0.876 5.431 4.556 -0.000 0.000 0.340 315 H C -0.155 174.895 175.328 -0.463 0.000 1.168 315 H CA -0.810 55.013 56.048 -0.375 0.000 1.247 315 H CB 2.295 31.903 29.762 -0.257 0.000 1.568 315 H HN 0.795 nan 8.280 nan 0.000 0.536 316 G N 0.566 108.840 108.800 -0.876 0.000 2.482 316 G HA2 0.454 4.414 3.960 -0.000 0.000 0.317 316 G HA3 0.454 4.414 3.960 -0.000 0.000 0.317 316 G C -0.976 173.727 174.900 -0.329 0.000 1.241 316 G CA -0.557 44.094 45.100 -0.749 0.000 0.967 316 G HN 0.608 nan 8.290 nan 0.000 0.482 317 V N 1.458 121.420 119.914 0.080 0.000 3.109 317 V HA 0.600 4.720 4.120 -0.000 0.000 0.317 317 V C 0.003 176.381 176.094 0.473 0.000 1.074 317 V CA -0.893 61.498 62.300 0.151 0.000 1.033 317 V CB 1.206 33.078 31.823 0.082 0.000 1.111 317 V HN 0.719 nan 8.190 nan 0.000 0.458 318 Y N 1.232 121.735 120.300 0.339 0.000 2.576 318 Y HA 0.307 4.857 4.550 -0.000 0.000 0.406 318 Y C -0.633 175.442 175.900 0.291 0.000 1.381 318 Y CA -0.375 57.894 58.100 0.282 0.000 1.763 318 Y CB 0.579 39.160 38.460 0.203 0.000 1.736 318 Y HN 0.623 nan 8.280 nan 0.000 0.634 319 Y N 0.425 120.900 120.300 0.291 0.000 2.446 319 Y HA 0.285 4.835 4.550 -0.000 0.000 0.345 319 Y C -1.438 174.518 175.900 0.093 0.000 0.984 319 Y CA -1.319 56.882 58.100 0.168 0.000 1.058 319 Y CB 1.662 40.243 38.460 0.201 0.000 1.220 319 Y HN 0.365 nan 8.280 nan 0.000 0.455 320 D N 6.746 126.636 120.400 -0.850 0.000 2.453 320 D HA 0.385 5.025 4.640 -0.000 0.000 0.238 320 D C -2.238 173.459 176.300 -1.005 0.000 1.088 320 D CA -2.479 51.109 54.000 -0.687 0.000 0.854 320 D CB 2.123 42.720 40.800 -0.339 0.000 1.076 320 D HN 0.285 nan 8.370 nan 0.000 0.533 321 P HA -0.065 nan 4.420 nan 0.000 0.223 321 P C 0.733 177.922 177.300 -0.184 0.000 1.144 321 P CA 0.788 63.747 63.100 -0.234 0.000 0.783 321 P CB 0.455 32.153 31.700 -0.004 0.000 0.771 322 S N -1.437 114.134 115.700 -0.214 0.000 2.421 322 S HA 0.046 4.516 4.470 -0.000 0.000 0.224 322 S C 1.020 175.535 174.600 -0.142 0.000 1.035 322 S CA 0.774 58.891 58.200 -0.138 0.000 0.953 322 S CB -0.146 62.989 63.200 -0.109 0.000 0.810 322 S HN 0.220 nan 8.310 nan 0.000 0.497 323 K N 1.264 121.547 120.400 -0.196 0.000 2.488 323 K HA 0.372 4.691 4.320 -0.000 0.000 0.255 323 K C -0.758 175.744 176.600 -0.163 0.000 1.036 323 K CA -0.516 55.678 56.287 -0.156 0.000 0.990 323 K CB 0.201 32.612 32.500 -0.149 0.000 1.304 323 K HN 0.034 nan 8.250 nan 0.000 0.505 324 D N -0.185 120.134 120.400 -0.134 0.000 2.432 324 D HA 0.354 4.994 4.640 -0.000 0.000 0.258 324 D C -0.940 175.243 176.300 -0.194 0.000 1.146 324 D CA -0.376 53.539 54.000 -0.142 0.000 1.015 324 D CB 0.746 41.476 40.800 -0.116 0.000 1.107 324 D HN 0.095 nan 8.370 nan 0.000 0.529 325 L N 1.350 122.423 121.223 -0.250 0.000 2.343 325 L HA 0.516 4.856 4.340 -0.000 0.000 0.278 325 L C -1.261 175.345 176.870 -0.442 0.000 0.996 325 L CA -0.348 54.251 54.840 -0.401 0.000 0.831 325 L CB 0.767 42.522 42.059 -0.507 0.000 1.232 325 L HN 0.260 nan 8.230 nan 0.000 0.413 326 I N 3.445 123.702 120.570 -0.521 0.000 2.608 326 I HA 0.717 4.887 4.170 -0.000 0.000 0.295 326 I C -0.398 175.219 176.117 -0.833 0.000 1.049 326 I CA -0.538 60.398 61.300 -0.606 0.000 1.063 326 I CB 2.216 39.920 38.000 -0.494 0.000 1.248 326 I HN 0.587 nan 8.210 nan 0.000 0.424 327 A N 5.048 127.427 122.820 -0.735 0.000 2.374 327 A HA 0.710 5.030 4.320 -0.000 0.000 0.305 327 A C -0.981 176.407 177.584 -0.327 0.000 1.053 327 A CA -0.476 51.204 52.037 -0.595 0.000 0.726 327 A CB 1.690 20.289 19.000 -0.669 0.000 1.229 327 A HN 0.763 nan 8.150 nan 0.000 0.431 328 E N 1.989 122.101 120.200 -0.147 0.000 2.299 328 E HA 0.791 5.141 4.350 -0.000 0.000 0.265 328 E C -1.480 175.210 176.600 0.150 0.000 0.911 328 E CA -0.619 55.808 56.400 0.046 0.000 0.789 328 E CB 1.539 31.299 29.700 0.100 0.000 1.246 328 E HN 0.598 nan 8.360 nan 0.000 0.427 329 I N 2.018 122.700 120.570 0.187 0.000 2.730 329 I HA 0.302 4.472 4.170 -0.000 0.000 0.298 329 I C -0.896 175.374 176.117 0.255 0.000 1.089 329 I CA -0.831 60.624 61.300 0.258 0.000 1.041 329 I CB 2.026 40.164 38.000 0.231 0.000 1.235 329 I HN 0.494 nan 8.210 nan 0.000 0.423 330 Q N 3.973 123.933 119.800 0.268 0.000 2.379 330 Q HA 0.446 4.786 4.340 -0.000 0.000 0.278 330 Q C -1.448 174.583 176.000 0.052 0.000 1.068 330 Q CA -1.114 54.779 55.803 0.151 0.000 0.816 330 Q CB 2.838 31.631 28.738 0.092 0.000 1.387 330 Q HN 0.540 nan 8.270 nan 0.000 0.413 331 K N 1.268 121.541 120.400 -0.212 0.000 2.201 331 K HA 0.129 4.449 4.320 -0.000 0.000 0.278 331 K C 0.355 176.724 176.600 -0.385 0.000 1.027 331 K CA 0.095 55.975 56.287 -0.678 0.000 0.909 331 K CB 0.809 32.711 32.500 -0.997 0.000 1.062 331 K HN 0.813 nan 8.250 nan 0.000 0.465 332 Q N 2.646 122.225 119.800 -0.369 0.000 2.164 332 Q HA 0.285 4.625 4.340 -0.000 0.000 0.226 332 Q C 0.285 176.177 176.000 -0.180 0.000 0.813 332 Q CA -0.227 55.459 55.803 -0.195 0.000 0.978 332 Q CB 1.138 29.818 28.738 -0.097 0.000 1.149 332 Q HN 0.805 nan 8.270 nan 0.000 0.489 333 G N 1.615 110.261 108.800 -0.256 0.000 2.513 333 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.182 333 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.182 333 G C -1.395 173.430 174.900 -0.125 0.000 1.190 333 G CA -0.313 44.694 45.100 -0.154 0.000 0.987 333 G HN 0.261 nan 8.290 nan 0.000 0.479 334 Q N 0.568 120.334 119.800 -0.056 0.000 2.434 334 Q HA 0.335 4.675 4.340 -0.000 0.000 0.155 334 Q C 1.175 177.178 176.000 0.004 0.000 1.025 334 Q CA 0.994 56.788 55.803 -0.015 0.000 0.960 334 Q CB -1.076 27.659 28.738 -0.004 0.000 1.654 334 Q HN 2.427 nan 8.270 nan 0.000 0.414 335 G N 1.175 109.970 108.800 -0.007 0.000 2.221 335 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.265 335 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.265 335 G C -0.413 174.582 174.900 0.159 0.000 1.041 335 G CA 0.238 45.404 45.100 0.109 0.000 0.807 335 G HN 0.629 nan 8.290 nan 0.000 0.502 336 Q N -1.490 118.302 119.800 -0.013 0.000 2.312 336 Q HA 0.660 5.000 4.340 -0.000 0.000 0.263 336 Q C -0.793 175.160 176.000 -0.077 0.000 0.995 336 Q CA -0.619 55.220 55.803 0.060 0.000 0.853 336 Q CB 1.685 30.420 28.738 -0.005 0.000 1.300 336 Q HN 0.345 nan 8.270 nan 0.000 0.448 337 W N 0.416 121.782 121.300 0.111 0.000 2.936 337 W HA 0.525 5.185 4.660 -0.000 0.000 0.338 337 W C -0.143 176.463 176.519 0.146 0.000 1.121 337 W CA -0.507 56.924 57.345 0.143 0.000 1.209 337 W CB 2.160 31.748 29.460 0.213 0.000 1.420 337 W HN 0.381 nan 8.180 nan 0.000 0.516 338 T N 1.795 116.541 114.554 0.320 0.000 2.906 338 T HA 0.764 5.114 4.350 -0.000 0.000 0.295 338 T C -1.526 173.331 174.700 0.261 0.000 1.075 338 T CA -0.416 61.789 62.100 0.175 0.000 1.005 338 T CB 0.940 69.844 68.868 0.061 0.000 1.136 338 T HN 0.381 nan 8.240 nan 0.000 0.498 339 Y N 0.784 121.170 120.300 0.143 0.000 2.670 339 Y HA 0.798 5.348 4.550 -0.000 0.000 0.334 339 Y C -1.390 174.561 175.900 0.085 0.000 1.185 339 Y CA -1.263 56.904 58.100 0.112 0.000 1.053 339 Y CB 1.298 39.823 38.460 0.108 0.000 1.298 339 Y HN 0.591 nan 8.280 nan 0.000 0.459 340 Q N 1.780 121.782 119.800 0.337 0.000 2.391 340 Q HA 0.567 4.907 4.340 -0.000 0.000 0.279 340 Q C -2.140 173.921 176.000 0.102 0.000 1.028 340 Q CA -0.740 55.201 55.803 0.230 0.000 0.836 340 Q CB 2.946 31.788 28.738 0.173 0.000 1.414 340 Q HN 0.921 nan 8.270 nan 0.000 0.397 341 I N 3.027 123.627 120.570 0.051 0.000 2.436 341 I HA 0.571 4.741 4.170 -0.000 0.000 0.289 341 I C -1.117 174.901 176.117 -0.165 0.000 1.010 341 I CA -0.831 60.330 61.300 -0.232 0.000 1.098 341 I CB 1.290 39.192 38.000 -0.164 0.000 1.266 341 I HN 0.659 nan 8.210 nan 0.000 0.434 342 Y N 2.847 123.057 120.300 -0.150 0.000 2.625 342 Y HA 0.515 5.065 4.550 -0.000 0.000 0.338 342 Y C 0.012 175.815 175.900 -0.163 0.000 1.123 342 Y CA -1.102 56.922 58.100 -0.127 0.000 1.046 342 Y CB 0.951 39.351 38.460 -0.099 0.000 1.299 342 Y HN 0.439 nan 8.280 nan 0.000 0.464 343 Q N 0.246 120.131 119.800 0.142 0.000 2.396 343 Q HA 0.252 4.592 4.340 -0.000 0.000 0.220 343 Q C -0.740 175.313 176.000 0.089 0.000 0.900 343 Q CA 0.589 56.414 55.803 0.037 0.000 0.925 343 Q CB 1.044 29.746 28.738 -0.061 0.000 1.065 343 Q HN 0.819 nan 8.270 nan 0.000 0.535 344 E N 0.697 120.951 120.200 0.090 0.000 2.293 344 E HA 0.325 4.675 4.350 -0.000 0.000 0.270 344 E C -2.640 173.878 176.600 -0.137 0.000 0.879 344 E CA -2.228 54.176 56.400 0.006 0.000 0.756 344 E CB 2.151 31.854 29.700 0.003 0.000 1.208 344 E HN -0.100 nan 8.360 nan 0.000 0.428 345 P HA 0.013 nan 4.420 nan 0.000 0.270 345 P C -0.469 176.737 177.300 -0.157 0.000 1.227 345 P CA 0.029 62.890 63.100 -0.399 0.000 0.788 345 P CB 0.178 31.831 31.700 -0.079 0.000 0.926 346 F N -2.842 116.902 119.950 -0.344 0.000 3.059 346 F HA -0.298 4.229 4.527 -0.000 0.000 0.290 346 F C 0.698 176.410 175.800 -0.146 0.000 0.786 346 F CA 1.300 59.182 58.000 -0.196 0.000 1.060 346 F CB -1.803 37.121 39.000 -0.127 0.000 1.327 346 F HN 0.291 nan 8.300 nan 0.000 0.409 347 K N -0.335 120.006 120.400 -0.100 0.000 2.444 347 K HA 0.688 5.008 4.320 -0.000 0.000 0.252 347 K C -0.309 176.241 176.600 -0.082 0.000 0.993 347 K CA -1.178 55.062 56.287 -0.079 0.000 0.847 347 K CB 1.899 34.383 32.500 -0.027 0.000 1.340 347 K HN -0.169 nan 8.250 nan 0.000 0.446 348 N N 0.129 118.787 118.700 -0.070 0.000 2.629 348 N HA 0.439 5.179 4.740 -0.000 0.000 0.279 348 N C 0.156 175.746 175.510 0.133 0.000 1.344 348 N CA -0.627 52.461 53.050 0.064 0.000 0.789 348 N CB 1.571 40.081 38.487 0.038 0.000 1.508 348 N HN 0.418 nan 8.380 nan 0.000 0.516 349 L N -0.282 121.083 121.223 0.236 0.000 2.362 349 L HA 0.316 4.656 4.340 -0.000 0.000 0.204 349 L C 0.237 177.420 176.870 0.523 0.000 1.060 349 L CA 0.655 55.720 54.840 0.375 0.000 0.827 349 L CB 0.168 42.417 42.059 0.317 0.000 1.027 349 L HN 0.637 nan 8.230 nan 0.000 0.474 350 K N -1.696 118.929 120.400 0.375 0.000 2.711 350 K HA 0.465 4.785 4.320 -0.000 0.000 0.294 350 K C -0.961 175.777 176.600 0.230 0.000 1.037 350 K CA -0.662 55.856 56.287 0.384 0.000 0.858 350 K CB 1.414 34.071 32.500 0.262 0.000 1.521 350 K HN -0.130 nan 8.250 nan 0.000 0.386 351 T N -2.374 112.273 114.554 0.155 0.000 2.804 351 T HA 0.908 5.258 4.350 -0.000 0.000 0.290 351 T C -0.172 174.426 174.700 -0.170 0.000 1.099 351 T CA -0.318 61.796 62.100 0.024 0.000 1.011 351 T CB 1.828 70.689 68.868 -0.011 0.000 1.291 351 T HN 1.243 nan 8.240 nan 0.000 0.523 352 G N 0.296 108.740 108.800 -0.593 0.000 2.466 352 G HA2 0.558 4.518 3.960 -0.000 0.000 0.291 352 G HA3 0.558 4.518 3.960 -0.000 0.000 0.291 352 G C -1.865 172.495 174.900 -0.900 0.000 1.460 352 G CA -0.809 43.806 45.100 -0.809 0.000 0.791 352 G HN 0.936 nan 8.290 nan 0.000 0.505 353 K N -1.210 118.979 120.400 -0.353 0.000 2.312 353 K HA 0.925 5.245 4.320 -0.000 0.000 0.236 353 K C -1.418 175.337 176.600 0.258 0.000 1.079 353 K CA -1.448 54.819 56.287 -0.034 0.000 0.900 353 K CB 1.616 34.126 32.500 0.016 0.000 1.297 353 K HN 0.995 nan 8.250 nan 0.000 0.498 354 Y N -0.944 119.467 120.300 0.184 0.000 2.314 354 Y HA 0.519 5.069 4.550 -0.000 0.000 0.317 354 Y C -2.080 173.954 175.900 0.224 0.000 1.234 354 Y CA -0.451 57.770 58.100 0.203 0.000 1.111 354 Y CB 1.197 39.791 38.460 0.223 0.000 1.283 354 Y HN 1.004 nan 8.280 nan 0.000 0.418 355 A N 4.903 127.390 122.820 -0.555 0.000 2.479 355 A HA 0.861 5.181 4.320 -0.000 0.000 0.296 355 A C -1.382 175.882 177.584 -0.533 0.000 1.121 355 A CA -1.036 50.810 52.037 -0.318 0.000 0.743 355 A CB 1.637 20.572 19.000 -0.109 0.000 1.323 355 A HN 0.716 nan 8.150 nan 0.000 0.415 356 R N 0.777 121.156 120.500 -0.203 0.000 2.539 356 R HA 0.535 4.875 4.340 -0.000 0.000 0.275 356 R C 0.133 176.377 176.300 -0.094 0.000 1.077 356 R CA 0.026 56.053 56.100 -0.123 0.000 1.097 356 R CB -0.150 30.156 30.300 0.011 0.000 1.018 356 R HN 0.738 nan 8.270 nan 0.000 0.483 357 M N 2.692 122.253 119.600 -0.065 0.000 2.061 357 M HA 0.141 4.621 4.480 -0.000 0.000 0.266 357 M C 1.067 177.352 176.300 -0.025 0.000 1.284 357 M CA 0.230 55.506 55.300 -0.039 0.000 1.112 357 M CB 0.353 32.946 32.600 -0.013 0.000 1.365 357 M HN 0.392 nan 8.290 nan 0.000 0.453 358 R N 0.818 121.306 120.500 -0.020 0.000 2.416 358 R HA 0.062 4.402 4.340 -0.000 0.000 0.205 358 R C 0.232 176.516 176.300 -0.027 0.000 1.150 358 R CA -0.115 55.972 56.100 -0.020 0.000 1.139 358 R CB -2.093 28.198 30.300 -0.016 0.000 0.861 358 R HN 0.733 nan 8.270 nan 0.000 0.480 359 G N 0.019 108.806 108.800 -0.021 0.000 2.299 359 G HA2 0.273 4.233 3.960 -0.000 0.000 0.256 359 G HA3 0.273 4.233 3.960 -0.000 0.000 0.256 359 G C 1.179 176.024 174.900 -0.093 0.000 1.259 359 G CA 0.125 45.208 45.100 -0.029 0.000 0.943 359 G HN 0.292 nan 8.290 nan 0.000 0.479 360 A N 3.302 126.011 122.820 -0.185 0.000 1.997 360 A HA -0.211 4.109 4.320 -0.000 0.000 0.237 360 A C 1.136 178.352 177.584 -0.613 0.000 1.807 360 A CA 1.669 53.397 52.037 -0.516 0.000 0.863 360 A CB -0.974 17.606 19.000 -0.701 0.000 0.821 360 A HN 0.787 nan 8.150 nan 0.000 0.500 361 H N -2.336 116.782 119.070 0.081 0.000 2.747 361 H HA 0.608 5.164 4.556 -0.000 0.000 0.371 361 H C -0.345 175.029 175.328 0.077 0.000 1.161 361 H CA -0.004 56.090 56.048 0.077 0.000 1.167 361 H CB 1.285 31.095 29.762 0.079 0.000 1.732 361 H HN 0.559 nan 8.280 nan 0.000 0.544 362 T N -0.075 114.586 114.554 0.177 0.000 2.604 362 T HA 0.345 4.695 4.350 -0.000 0.000 0.267 362 T C -0.226 174.500 174.700 0.042 0.000 0.923 362 T CA -1.033 61.124 62.100 0.095 0.000 1.077 362 T CB 1.683 70.591 68.868 0.066 0.000 1.392 362 T HN 0.620 nan 8.240 nan 0.000 0.531 363 N N -0.618 118.043 118.700 -0.065 0.000 2.504 363 N HA 0.211 4.951 4.740 -0.000 0.000 0.268 363 N C -0.485 174.865 175.510 -0.266 0.000 1.184 363 N CA -0.381 52.546 53.050 -0.205 0.000 0.875 363 N CB 1.875 40.146 38.487 -0.361 0.000 1.630 363 N HN 0.442 nan 8.380 nan 0.000 0.486 364 D N 1.248 121.483 120.400 -0.275 0.000 2.092 364 D HA -0.106 4.534 4.640 -0.000 0.000 0.193 364 D C 1.802 177.905 176.300 -0.327 0.000 0.994 364 D CA 1.869 55.773 54.000 -0.159 0.000 0.828 364 D CB -0.018 40.647 40.800 -0.224 0.000 0.963 364 D HN 0.444 nan 8.370 nan 0.000 0.450 365 V N 0.856 120.377 119.914 -0.655 0.000 2.287 365 V HA -0.240 3.879 4.120 -0.000 0.000 0.248 365 V C 2.444 178.091 176.094 -0.745 0.000 1.053 365 V CA 1.883 63.684 62.300 -0.831 0.000 1.027 365 V CB -0.696 30.148 31.823 -1.632 0.000 0.646 365 V HN 0.150 nan 8.190 nan 0.000 0.447 366 K N 0.138 120.013 120.400 -0.875 0.000 2.032 366 K HA -0.290 4.030 4.320 -0.000 0.000 0.209 366 K C 2.406 178.826 176.600 -0.299 0.000 1.048 366 K CA 2.119 58.162 56.287 -0.406 0.000 0.927 366 K CB -0.205 32.112 32.500 -0.306 0.000 0.712 366 K HN 0.530 nan 8.250 nan 0.000 0.441 367 Q N 0.364 119.967 119.800 -0.328 0.000 2.084 367 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 367 Q C 2.143 177.663 176.000 -0.801 0.000 0.978 367 Q CA 1.429 57.015 55.803 -0.362 0.000 0.844 367 Q CB -0.076 28.575 28.738 -0.145 0.000 0.898 367 Q HN 0.362 nan 8.270 nan 0.000 0.426 368 L N -0.048 120.616 121.223 -0.932 0.000 2.131 368 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 368 L C 1.954 178.388 176.870 -0.727 0.000 1.092 368 L CA 1.984 56.150 54.840 -1.123 0.000 0.759 368 L CB -0.525 41.078 42.059 -0.760 0.000 0.903 368 L HN 0.194 nan 8.230 nan 0.000 0.435 369 T N -1.269 113.015 114.554 -0.450 0.000 2.737 369 T HA -0.177 4.173 4.350 -0.000 0.000 0.265 369 T C 1.713 176.153 174.700 -0.433 0.000 1.038 369 T CA 1.452 63.355 62.100 -0.328 0.000 1.144 369 T CB -0.298 68.587 68.868 0.029 0.000 0.866 369 T HN 0.380 nan 8.240 nan 0.000 0.434 370 E N 1.040 120.985 120.200 -0.426 0.000 2.097 370 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 370 E C 2.412 178.491 176.600 -0.868 0.000 1.000 370 E CA 1.207 57.325 56.400 -0.470 0.000 0.804 370 E CB -0.265 29.261 29.700 -0.291 0.000 0.740 370 E HN 0.528 nan 8.360 nan 0.000 0.454 371 A N 0.217 122.363 122.820 -1.124 0.000 1.855 371 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 371 A C 2.443 179.619 177.584 -0.680 0.000 1.191 371 A CA 1.429 52.820 52.037 -1.077 0.000 0.613 371 A CB -0.743 17.776 19.000 -0.803 0.000 0.829 371 A HN 0.160 nan 8.150 nan 0.000 0.442 372 V N 0.120 119.632 119.914 -0.669 0.000 2.380 372 V HA -0.324 3.796 4.120 -0.000 0.000 0.251 372 V C 2.746 178.484 176.094 -0.594 0.000 1.063 372 V CA 2.472 64.313 62.300 -0.765 0.000 1.055 372 V CB -0.872 30.345 31.823 -1.010 0.000 0.657 372 V HN 0.690 nan 8.190 nan 0.000 0.455 373 Q N 0.730 120.243 119.800 -0.479 0.000 2.046 373 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 373 Q C 2.281 178.140 176.000 -0.234 0.000 0.975 373 Q CA 2.090 57.698 55.803 -0.324 0.000 0.836 373 Q CB -0.452 28.137 28.738 -0.250 0.000 0.896 373 Q HN 0.622 nan 8.270 nan 0.000 0.428 374 K N -0.445 119.803 120.400 -0.253 0.000 2.063 374 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 374 K C 1.880 178.399 176.600 -0.134 0.000 1.048 374 K CA 1.601 57.808 56.287 -0.134 0.000 0.928 374 K CB -0.238 32.221 32.500 -0.069 0.000 0.713 374 K HN 0.238 nan 8.250 nan 0.000 0.442 375 I N 1.032 121.452 120.570 -0.249 0.000 2.286 375 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 375 I C 2.249 178.352 176.117 -0.024 0.000 1.115 375 I CA 1.408 62.572 61.300 -0.226 0.000 1.392 375 I CB -0.424 37.443 38.000 -0.222 0.000 1.065 375 I HN 0.201 nan 8.210 nan 0.000 0.418 376 T N -0.344 114.217 114.554 0.012 0.000 2.674 376 T HA -0.173 4.177 4.350 -0.000 0.000 0.265 376 T C 1.946 176.631 174.700 -0.025 0.000 1.039 376 T CA 2.116 64.236 62.100 0.033 0.000 1.150 376 T CB -0.561 68.270 68.868 -0.062 0.000 0.864 376 T HN 0.351 nan 8.240 nan 0.000 0.427 377 T N 1.688 116.209 114.554 -0.056 0.000 2.720 377 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 377 T C 1.906 176.576 174.700 -0.050 0.000 1.037 377 T CA 1.494 63.565 62.100 -0.049 0.000 1.144 377 T CB -0.280 68.563 68.868 -0.042 0.000 0.864 377 T HN 0.541 nan 8.240 nan 0.000 0.444 378 E N 0.654 120.827 120.200 -0.045 0.000 2.051 378 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 378 E C 2.380 178.908 176.600 -0.120 0.000 0.991 378 E CA 1.143 57.499 56.400 -0.074 0.000 0.799 378 E CB -0.104 29.577 29.700 -0.032 0.000 0.748 378 E HN 0.316 nan 8.360 nan 0.000 0.449 379 S N 0.406 116.110 115.700 0.006 0.000 2.383 379 S HA -0.122 4.348 4.470 -0.000 0.000 0.229 379 S C 1.872 176.510 174.600 0.064 0.000 1.030 379 S CA 1.007 59.316 58.200 0.182 0.000 1.002 379 S CB -0.198 63.139 63.200 0.228 0.000 0.829 379 S HN 0.322 nan 8.310 nan 0.000 0.467 380 I N 0.981 121.543 120.570 -0.014 0.000 2.493 380 I HA -0.112 4.058 4.170 -0.000 0.000 0.254 380 I C 1.985 178.042 176.117 -0.100 0.000 1.160 380 I CA 0.685 61.963 61.300 -0.036 0.000 1.445 380 I CB -0.490 37.488 38.000 -0.036 0.000 1.086 380 I HN 0.173 nan 8.210 nan 0.000 0.433 381 V N 1.121 120.942 119.914 -0.155 0.000 2.255 381 V HA -0.216 3.904 4.120 -0.000 0.000 0.243 381 V C 2.400 178.292 176.094 -0.337 0.000 1.038 381 V CA 1.403 63.581 62.300 -0.204 0.000 1.008 381 V CB -0.495 31.214 31.823 -0.189 0.000 0.645 381 V HN 0.209 nan 8.190 nan 0.000 0.449 382 I N -0.908 119.317 120.570 -0.575 0.000 2.113 382 I HA -0.180 3.990 4.170 -0.000 0.000 0.238 382 I C 2.359 177.892 176.117 -0.973 0.000 1.070 382 I CA 1.851 62.553 61.300 -0.997 0.000 1.332 382 I CB -1.311 35.523 38.000 -1.943 0.000 1.044 382 I HN 0.430 nan 8.210 nan 0.000 0.402 383 W N 0.209 121.309 121.300 -0.334 0.000 2.872 383 W HA 0.353 5.013 4.660 -0.000 0.000 0.266 383 W C 1.536 177.916 176.519 -0.231 0.000 1.276 383 W CA 0.917 58.027 57.345 -0.391 0.000 1.471 383 W CB -0.511 28.684 29.460 -0.441 0.000 1.071 383 W HN 0.434 nan 8.180 nan 0.000 0.619 384 G N 2.062 110.865 108.800 0.004 0.000 2.137 384 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.237 384 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.237 384 G C 0.130 175.048 174.900 0.031 0.000 1.002 384 G CA 0.763 45.861 45.100 -0.003 0.000 0.702 384 G HN 0.370 nan 8.290 nan 0.000 0.515 385 K N -1.739 118.698 120.400 0.062 0.000 2.571 385 K HA 0.736 5.056 4.320 -0.000 0.000 0.289 385 K C -0.580 176.029 176.600 0.016 0.000 1.028 385 K CA -0.493 55.814 56.287 0.032 0.000 0.895 385 K CB 0.726 33.243 32.500 0.029 0.000 1.534 385 K HN 0.461 nan 8.250 nan 0.000 0.421 386 T N -0.072 114.463 114.554 -0.030 0.000 2.767 386 T HA 0.466 4.816 4.350 -0.000 0.000 0.284 386 T C -2.021 172.582 174.700 -0.162 0.000 0.973 386 T CA -1.514 60.548 62.100 -0.063 0.000 0.996 386 T CB 1.052 69.895 68.868 -0.041 0.000 0.927 386 T HN 0.477 nan 8.240 nan 0.000 0.456 387 P HA 0.318 nan 4.420 nan 0.000 0.277 387 P C -0.874 176.108 177.300 -0.529 0.000 1.271 387 P CA -0.816 61.972 63.100 -0.519 0.000 0.795 387 P CB 0.955 32.193 31.700 -0.770 0.000 1.101 388 K N 0.861 121.000 120.400 -0.435 0.000 2.276 388 K HA 0.343 4.663 4.320 -0.000 0.000 0.285 388 K C -0.462 175.933 176.600 -0.340 0.000 1.062 388 K CA -0.192 55.942 56.287 -0.254 0.000 0.918 388 K CB 0.167 32.565 32.500 -0.170 0.000 1.055 388 K HN 0.330 nan 8.250 nan 0.000 0.477 389 F N 2.506 122.396 119.950 -0.099 0.000 2.411 389 F HA 0.235 4.762 4.527 -0.000 0.000 0.350 389 F C 0.630 176.446 175.800 0.027 0.000 1.114 389 F CA -0.552 57.400 58.000 -0.080 0.000 1.135 389 F CB 1.026 39.962 39.000 -0.107 0.000 1.120 389 F HN 0.162 nan 8.300 nan 0.000 0.495 390 K N 5.487 125.983 120.400 0.160 0.000 2.263 390 K HA 0.603 4.923 4.320 -0.000 0.000 0.272 390 K C -1.011 175.743 176.600 0.258 0.000 1.033 390 K CA -0.380 56.021 56.287 0.189 0.000 0.884 390 K CB 1.217 33.783 32.500 0.110 0.000 1.107 390 K HN 0.525 nan 8.250 nan 0.000 0.460 391 L N 4.224 125.687 121.223 0.400 0.000 2.370 391 L HA 0.462 4.802 4.340 -0.000 0.000 0.266 391 L C -2.100 175.012 176.870 0.403 0.000 1.002 391 L CA -2.274 52.745 54.840 0.298 0.000 0.818 391 L CB 2.149 44.215 42.059 0.012 0.000 1.325 391 L HN 0.443 nan 8.230 nan 0.000 0.418 392 P HA 0.201 nan 4.420 nan 0.000 0.220 392 P C -0.561 176.882 177.300 0.238 0.000 1.778 392 P CA 0.370 63.716 63.100 0.410 0.000 0.912 392 P CB 0.322 32.189 31.700 0.277 0.000 1.861 393 I N 0.751 121.366 120.570 0.075 0.000 2.607 393 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 393 I C -0.402 175.501 176.117 -0.357 0.000 1.129 393 I CA -1.231 59.973 61.300 -0.160 0.000 1.042 393 I CB 2.689 40.620 38.000 -0.115 0.000 1.242 393 I HN -0.040 nan 8.210 nan 0.000 0.421 394 Q N 6.808 126.261 119.800 -0.578 0.000 2.311 394 Q HA 0.103 4.443 4.340 -0.000 0.000 0.272 394 Q C 0.584 176.629 176.000 0.074 0.000 1.012 394 Q CA -0.461 55.059 55.803 -0.471 0.000 0.891 394 Q CB 1.125 29.665 28.738 -0.331 0.000 1.201 394 Q HN 0.517 nan 8.270 nan 0.000 0.391 395 K N 3.197 123.748 120.400 0.251 0.000 2.362 395 K HA -0.265 4.055 4.320 -0.000 0.000 0.202 395 K C 1.129 177.969 176.600 0.399 0.000 1.045 395 K CA 1.931 58.534 56.287 0.526 0.000 0.936 395 K CB 0.135 32.760 32.500 0.209 0.000 0.747 395 K HN 0.930 nan 8.250 nan 0.000 0.467 396 E N -0.433 119.901 120.200 0.224 0.000 2.318 396 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 396 E C 0.945 177.647 176.600 0.170 0.000 0.998 396 E CA 0.780 57.288 56.400 0.180 0.000 0.859 396 E CB 0.252 30.017 29.700 0.107 0.000 0.812 396 E HN 0.295 nan 8.360 nan 0.000 0.492 397 T N -0.259 114.394 114.554 0.165 0.000 2.857 397 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 397 T C 1.074 175.906 174.700 0.220 0.000 1.048 397 T CA 0.855 63.033 62.100 0.129 0.000 1.139 397 T CB -0.319 68.585 68.868 0.060 0.000 0.874 397 T HN 0.337 nan 8.240 nan 0.000 0.455 398 W N 1.808 123.190 121.300 0.136 0.000 2.453 398 W HA 0.116 4.776 4.660 -0.000 0.000 0.289 398 W C 2.400 179.171 176.519 0.419 0.000 1.215 398 W CA 0.689 58.176 57.345 0.237 0.000 1.297 398 W CB 0.021 29.519 29.460 0.063 0.000 1.113 398 W HN 0.302 nan 8.180 nan 0.000 0.551 399 E N -0.580 119.933 120.200 0.523 0.000 2.046 399 E HA -0.218 4.132 4.350 -0.000 0.000 0.190 399 E C 2.135 178.557 176.600 -0.298 0.000 0.982 399 E CA 2.394 58.864 56.400 0.117 0.000 0.800 399 E CB -0.357 29.486 29.700 0.239 0.000 0.756 399 E HN 0.176 nan 8.360 nan 0.000 0.449 400 T N -1.225 113.280 114.554 -0.081 0.000 2.897 400 T HA -0.199 4.151 4.350 -0.000 0.000 0.271 400 T C 1.613 176.217 174.700 -0.160 0.000 1.084 400 T CA 1.111 63.135 62.100 -0.128 0.000 1.123 400 T CB -0.570 68.283 68.868 -0.026 0.000 0.865 400 T HN 0.492 nan 8.240 nan 0.000 0.496 401 W N 1.550 122.671 121.300 -0.298 0.000 2.519 401 W HA 0.021 4.681 4.660 -0.000 0.000 0.313 401 W C 2.318 178.581 176.519 -0.426 0.000 1.156 401 W CA 0.645 57.758 57.345 -0.386 0.000 1.394 401 W CB -0.571 28.599 29.460 -0.484 0.000 1.154 401 W HN 0.429 nan 8.180 nan 0.000 0.498 402 W N 2.051 122.745 121.300 -1.011 0.000 2.338 402 W HA -0.160 4.500 4.660 -0.000 0.000 0.304 402 W C 1.580 177.753 176.519 -0.577 0.000 1.212 402 W CA 1.796 58.531 57.345 -1.018 0.000 1.264 402 W CB -1.609 27.267 29.460 -0.974 0.000 1.142 402 W HN -0.187 nan 8.180 nan 0.000 0.512 403 T N 1.824 115.724 114.554 -1.090 0.000 2.684 403 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 403 T C 1.434 175.810 174.700 -0.539 0.000 1.036 403 T CA 2.443 63.921 62.100 -1.037 0.000 1.148 403 T CB -0.343 67.867 68.868 -1.098 0.000 0.863 403 T HN 0.289 nan 8.240 nan 0.000 0.436 404 E N -0.508 119.411 120.200 -0.469 0.000 2.481 404 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 404 E C -0.114 176.305 176.600 -0.302 0.000 1.047 404 E CA -0.204 56.010 56.400 -0.310 0.000 0.867 404 E CB 0.084 29.647 29.700 -0.228 0.000 0.858 404 E HN 0.435 nan 8.360 nan 0.000 0.513 405 Y N 2.395 122.271 120.300 -0.706 0.000 2.537 405 Y HA -0.096 4.454 4.550 -0.000 0.000 0.339 405 Y C 0.885 176.462 175.900 -0.537 0.000 1.066 405 Y CA -1.528 56.057 58.100 -0.858 0.000 1.357 405 Y CB 0.102 37.696 38.460 -1.442 0.000 1.175 405 Y HN 0.165 nan 8.280 nan 0.000 0.525 406 W N 5.189 126.195 121.300 -0.490 0.000 2.662 406 W HA -0.089 4.571 4.660 -0.000 0.000 0.249 406 W C -0.673 175.519 176.519 -0.546 0.000 1.251 406 W CA 0.266 57.346 57.345 -0.443 0.000 1.277 406 W CB -0.371 28.903 29.460 -0.309 0.000 1.140 406 W HN 0.603 nan 8.180 nan 0.000 0.645 407 Q N 1.149 120.193 119.800 -1.260 0.000 2.356 407 Q HA 0.538 4.878 4.340 -0.000 0.000 0.270 407 Q C -0.064 175.661 176.000 -0.457 0.000 1.058 407 Q CA -0.584 54.688 55.803 -0.885 0.000 0.802 407 Q CB 2.393 30.032 28.738 -1.832 0.000 1.303 407 Q HN 0.026 nan 8.270 nan 0.000 0.444 408 A N 2.134 124.850 122.820 -0.173 0.000 2.567 408 A HA 0.369 4.689 4.320 -0.000 0.000 0.236 408 A C 0.131 177.690 177.584 -0.041 0.000 1.088 408 A CA 1.162 53.163 52.037 -0.060 0.000 0.776 408 A CB 0.290 19.285 19.000 -0.007 0.000 1.033 408 A HN 0.821 nan 8.150 nan 0.000 0.513 409 T N -0.616 113.955 114.554 0.029 0.000 3.402 409 T HA 0.371 4.720 4.350 -0.000 0.000 0.413 409 T C -2.350 172.437 174.700 0.145 0.000 1.695 409 T CA -0.142 62.006 62.100 0.080 0.000 1.127 409 T CB 0.109 69.030 68.868 0.088 0.000 1.562 409 T HN 1.760 nan 8.240 nan 0.000 0.470 410 W N 7.197 128.461 121.300 -0.059 0.000 2.835 410 W HA 0.687 5.347 4.660 -0.000 0.000 0.326 410 W C -2.180 174.255 176.519 -0.139 0.000 1.024 410 W CA -1.583 55.691 57.345 -0.117 0.000 1.267 410 W CB 0.584 29.968 29.460 -0.127 0.000 1.267 410 W HN 0.791 nan 8.180 nan 0.000 0.412 411 I N 9.395 129.804 120.570 -0.269 0.000 2.339 411 I HA 0.437 4.607 4.170 -0.000 0.000 0.290 411 I C -1.680 174.101 176.117 -0.559 0.000 0.994 411 I CA -2.145 58.781 61.300 -0.624 0.000 1.191 411 I CB 1.468 38.928 38.000 -0.900 0.000 1.343 411 I HN 0.217 nan 8.210 nan 0.000 0.458 412 P HA -0.021 nan 4.420 nan 0.000 0.272 412 P C -0.929 176.367 177.300 -0.006 0.000 1.243 412 P CA -0.144 62.796 63.100 -0.268 0.000 0.803 412 P CB 0.341 31.906 31.700 -0.226 0.000 0.974 413 E N 0.036 120.299 120.200 0.105 0.000 2.384 413 E HA 0.063 4.413 4.350 -0.000 0.000 0.266 413 E C -0.092 176.627 176.600 0.197 0.000 1.012 413 E CA 0.231 56.713 56.400 0.137 0.000 0.901 413 E CB 0.023 29.730 29.700 0.013 0.000 0.967 413 E HN 0.465 nan 8.360 nan 0.000 0.435 414 W N 2.179 123.419 121.300 -0.101 0.000 2.853 414 W HA 0.612 5.272 4.660 -0.000 0.000 0.570 414 W C -0.398 176.116 176.519 -0.009 0.000 1.387 414 W CA -0.801 56.515 57.345 -0.049 0.000 1.127 414 W CB 0.712 30.095 29.460 -0.129 0.000 2.989 414 W HN 0.368 nan 8.180 nan 0.000 0.723 415 E N 0.670 120.805 120.200 -0.108 0.000 2.397 415 E HA 0.173 4.523 4.350 -0.000 0.000 0.293 415 E C -1.864 174.831 176.600 0.158 0.000 0.930 415 E CA -0.733 55.572 56.400 -0.158 0.000 0.793 415 E CB 1.399 31.079 29.700 -0.033 0.000 1.259 415 E HN 0.515 nan 8.360 nan 0.000 0.406 416 F N 4.241 124.155 119.950 -0.060 0.000 2.572 416 F HA 0.239 4.765 4.527 -0.000 0.000 0.370 416 F C -0.731 175.127 175.800 0.096 0.000 1.103 416 F CA -0.174 57.896 58.000 0.117 0.000 1.286 416 F CB 0.729 39.779 39.000 0.083 0.000 1.105 416 F HN 0.192 nan 8.300 nan 0.000 0.583 417 V N 6.905 127.054 119.914 0.391 0.000 2.357 417 V HA 0.034 4.154 4.120 -0.000 0.000 0.281 417 V C 0.295 176.236 176.094 -0.255 0.000 1.015 417 V CA -0.682 61.592 62.300 -0.043 0.000 0.827 417 V CB 1.141 33.042 31.823 0.130 0.000 1.018 417 V HN 0.816 nan 8.190 nan 0.000 0.432 418 N N 1.730 120.041 118.700 -0.648 0.000 2.405 418 N HA -0.147 4.593 4.740 -0.000 0.000 0.189 418 N C 1.264 176.720 175.510 -0.090 0.000 1.021 418 N CA 1.395 54.172 53.050 -0.455 0.000 0.891 418 N CB -0.153 38.122 38.487 -0.353 0.000 0.955 418 N HN 0.861 nan 8.380 nan 0.000 0.443 419 T N 0.455 114.985 114.554 -0.039 0.000 2.866 419 T HA 0.029 4.379 4.350 -0.000 0.000 0.241 419 T C -2.146 172.594 174.700 0.067 0.000 1.018 419 T CA -1.375 60.738 62.100 0.022 0.000 1.368 419 T CB -0.101 68.787 68.868 0.034 0.000 1.025 419 T HN 0.094 nan 8.240 nan 0.000 0.575 420 P HA 0.209 nan 4.420 nan 0.000 0.272 420 P C -2.189 175.140 177.300 0.048 0.000 1.254 420 P CA -1.275 61.873 63.100 0.080 0.000 0.795 420 P CB -0.401 31.345 31.700 0.076 0.000 1.022 421 P HA 0.180 nan 4.420 nan 0.000 0.271 421 P C 0.034 177.361 177.300 0.045 0.000 1.220 421 P CA 0.133 63.251 63.100 0.032 0.000 0.768 421 P CB 0.577 32.271 31.700 -0.010 0.000 0.848 422 L N 2.652 123.925 121.223 0.084 0.000 2.472 422 L HA 0.227 4.567 4.340 -0.000 0.000 0.260 422 L C 0.469 177.345 176.870 0.010 0.000 1.209 422 L CA -0.846 54.056 54.840 0.103 0.000 0.817 422 L CB 0.648 42.795 42.059 0.147 0.000 1.106 422 L HN 0.186 nan 8.230 nan 0.000 0.479 423 V N 1.479 121.396 119.914 0.005 0.000 2.318 423 V HA 0.383 4.502 4.120 -0.000 0.000 0.271 423 V C -0.002 176.031 176.094 -0.103 0.000 1.030 423 V CA -0.547 61.719 62.300 -0.056 0.000 0.844 423 V CB 0.880 32.718 31.823 0.024 0.000 1.015 423 V HN 0.630 nan 8.190 nan 0.000 0.460 424 K N 4.130 124.423 120.400 -0.177 0.000 2.433 424 K HA 0.677 4.996 4.320 -0.000 0.000 0.252 424 K C -1.109 175.374 176.600 -0.195 0.000 1.015 424 K CA -0.831 55.380 56.287 -0.127 0.000 0.860 424 K CB 1.862 34.347 32.500 -0.025 0.000 1.359 424 K HN 0.535 nan 8.250 nan 0.000 0.452 425 L N 3.238 124.408 121.223 -0.088 0.000 2.268 425 L HA 0.204 4.544 4.340 -0.000 0.000 0.289 425 L C 0.371 177.309 176.870 0.114 0.000 1.064 425 L CA -0.516 54.278 54.840 -0.078 0.000 0.824 425 L CB 0.506 42.527 42.059 -0.063 0.000 1.202 425 L HN 0.656 nan 8.230 nan 0.000 0.433 426 W N 4.100 125.421 121.300 0.035 0.000 2.538 426 W HA -0.112 4.548 4.660 -0.000 0.000 0.254 426 W C 0.482 177.169 176.519 0.281 0.000 1.249 426 W CA 0.175 57.610 57.345 0.150 0.000 1.253 426 W CB -0.746 28.833 29.460 0.198 0.000 1.130 426 W HN 0.552 nan 8.180 nan 0.000 0.618 427 Y N -3.327 117.108 120.300 0.224 0.000 2.889 427 Y HA 0.465 5.015 4.550 -0.000 0.000 0.379 427 Y C -1.319 174.651 175.900 0.115 0.000 1.179 427 Y CA -1.722 56.464 58.100 0.143 0.000 1.178 427 Y CB 0.112 38.647 38.460 0.125 0.000 1.460 427 Y HN -0.128 nan 8.280 nan 0.000 0.472 428 Q N 1.816 121.732 119.800 0.193 0.000 2.418 428 Q HA 0.649 4.989 4.340 -0.000 0.000 0.282 428 Q C -1.726 174.403 176.000 0.215 0.000 1.044 428 Q CA -1.103 54.739 55.803 0.066 0.000 0.813 428 Q CB 3.535 32.300 28.738 0.045 0.000 1.428 428 Q HN 0.693 nan 8.270 nan 0.000 0.402 429 L N 1.506 122.832 121.223 0.171 0.000 2.334 429 L HA 0.338 4.678 4.340 -0.000 0.000 0.277 429 L C 0.146 177.115 176.870 0.166 0.000 1.075 429 L CA -0.930 54.022 54.840 0.186 0.000 0.804 429 L CB 0.748 42.899 42.059 0.154 0.000 1.174 429 L HN 0.403 nan 8.230 nan 0.000 0.438 430 E N 2.239 122.563 120.200 0.207 0.000 2.351 430 E HA -0.047 4.303 4.350 -0.000 0.000 0.266 430 E C 0.521 177.314 176.600 0.322 0.000 1.031 430 E CA -0.025 56.508 56.400 0.220 0.000 0.911 430 E CB 1.016 30.847 29.700 0.219 0.000 0.986 430 E HN 0.454 nan 8.360 nan 0.000 0.446 431 K N 1.937 122.459 120.400 0.204 0.000 2.155 431 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 431 K C 0.516 177.258 176.600 0.237 0.000 1.052 431 K CA 0.943 57.366 56.287 0.227 0.000 0.948 431 K CB 0.203 32.769 32.500 0.110 0.000 0.728 431 K HN 0.125 nan 8.250 nan 0.000 0.448 432 E N 1.150 121.371 120.200 0.035 0.000 2.179 432 E HA 0.357 4.707 4.350 -0.000 0.000 0.275 432 E C -2.425 173.909 176.600 -0.443 0.000 0.945 432 E CA -3.092 53.189 56.400 -0.198 0.000 0.792 432 E CB 1.135 30.770 29.700 -0.108 0.000 1.125 432 E HN -0.064 nan 8.360 nan 0.000 0.397 433 P HA -0.044 nan 4.420 nan 0.000 0.274 433 P C -0.507 176.627 177.300 -0.277 0.000 1.248 433 P CA 0.601 63.212 63.100 -0.815 0.000 0.827 433 P CB 0.366 31.710 31.700 -0.592 0.000 0.972 434 I N -0.520 119.971 120.570 -0.133 0.000 2.439 434 I HA 0.198 4.368 4.170 -0.000 0.000 0.283 434 I C 0.021 176.120 176.117 -0.031 0.000 1.023 434 I CA -1.077 60.198 61.300 -0.043 0.000 1.100 434 I CB 1.775 39.788 38.000 0.021 0.000 1.238 434 I HN 0.013 nan 8.210 nan 0.000 0.445 435 V N 7.062 126.955 119.914 -0.034 0.000 2.637 435 V HA 0.436 4.556 4.120 -0.000 0.000 0.296 435 V C 1.255 177.340 176.094 -0.015 0.000 1.046 435 V CA 1.737 64.021 62.300 -0.026 0.000 1.066 435 V CB 0.748 32.555 31.823 -0.027 0.000 0.968 435 V HN 1.098 nan 8.190 nan 0.000 0.483 436 G N 4.574 113.365 108.800 -0.016 0.000 2.458 436 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.237 436 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.237 436 G C 0.692 175.584 174.900 -0.013 0.000 1.113 436 G CA 0.214 45.305 45.100 -0.015 0.000 0.655 436 G HN 2.087 nan 8.290 nan 0.000 0.513 437 A N 0.892 123.710 122.820 -0.002 0.000 2.511 437 A HA 0.526 4.846 4.320 -0.000 0.000 0.242 437 A C 0.549 178.129 177.584 -0.006 0.000 1.069 437 A CA 0.945 52.988 52.037 0.011 0.000 0.763 437 A CB 0.185 19.207 19.000 0.037 0.000 1.001 437 A HN 0.736 nan 8.150 nan 0.000 0.498 438 E N 1.003 121.186 120.200 -0.029 0.000 2.415 438 E HA 0.162 4.512 4.350 -0.000 0.000 0.262 438 E C -0.523 176.021 176.600 -0.094 0.000 1.038 438 E CA 0.357 56.683 56.400 -0.123 0.000 0.921 438 E CB 0.424 29.979 29.700 -0.242 0.000 0.950 438 E HN 0.577 nan 8.360 nan 0.000 0.438 439 T N 4.285 118.756 114.554 -0.138 0.000 2.770 439 T HA 0.348 4.698 4.350 -0.000 0.000 0.283 439 T C -1.003 173.664 174.700 -0.054 0.000 0.988 439 T CA -0.338 61.756 62.100 -0.011 0.000 0.957 439 T CB 0.094 69.024 68.868 0.103 0.000 0.930 439 T HN 0.241 nan 8.240 nan 0.000 0.443 440 F N 2.616 122.583 119.950 0.028 0.000 2.427 440 F HA 0.423 4.950 4.527 -0.000 0.000 0.346 440 F C -0.304 175.516 175.800 0.032 0.000 1.120 440 F CA -0.948 57.087 58.000 0.059 0.000 1.033 440 F CB 1.054 40.057 39.000 0.005 0.000 1.126 440 F HN 0.504 nan 8.300 nan 0.000 0.462 441 Y N 3.582 124.008 120.300 0.210 0.000 2.518 441 Y HA 0.408 4.958 4.550 -0.000 0.000 0.344 441 Y C 0.100 176.116 175.900 0.193 0.000 0.982 441 Y CA -0.622 57.565 58.100 0.144 0.000 1.234 441 Y CB 0.884 39.390 38.460 0.077 0.000 1.114 441 Y HN 0.295 nan 8.280 nan 0.000 0.515 442 V N 3.840 123.876 119.914 0.203 0.000 2.617 442 V HA 0.589 4.709 4.120 -0.000 0.000 0.298 442 V C -0.745 175.429 176.094 0.133 0.000 1.048 442 V CA -0.109 62.300 62.300 0.182 0.000 0.964 442 V CB 1.900 33.795 31.823 0.120 0.000 1.004 442 V HN 0.895 nan 8.190 nan 0.000 0.466 443 D N 2.538 123.009 120.400 0.118 0.000 2.653 443 D HA 0.725 5.365 4.640 -0.000 0.000 0.258 443 D C -0.751 175.592 176.300 0.073 0.000 1.252 443 D CA 0.255 54.312 54.000 0.096 0.000 0.777 443 D CB 2.094 42.953 40.800 0.098 0.000 1.339 443 D HN 0.983 nan 8.370 nan 0.000 0.422 444 G N -0.088 108.754 108.800 0.071 0.000 2.755 444 G HA2 0.747 4.707 3.960 -0.000 0.000 0.297 444 G HA3 0.747 4.707 3.960 -0.000 0.000 0.297 444 G C -1.671 173.261 174.900 0.054 0.000 1.441 444 G CA -0.037 45.096 45.100 0.054 0.000 0.964 444 G HN 0.646 nan 8.290 nan 0.000 0.540 445 A N -0.056 122.787 122.820 0.039 0.000 2.569 445 A HA 1.103 5.423 4.320 -0.000 0.000 0.290 445 A C -0.476 177.121 177.584 0.021 0.000 1.136 445 A CA -0.145 51.911 52.037 0.032 0.000 0.710 445 A CB 1.748 20.768 19.000 0.033 0.000 1.303 445 A HN 2.509 nan 8.150 nan 0.000 0.413 446 A N 0.637 123.465 122.820 0.014 0.000 2.549 446 A HA 0.667 4.987 4.320 -0.000 0.000 0.297 446 A C -1.020 176.565 177.584 0.003 0.000 1.061 446 A CA -0.652 51.390 52.037 0.007 0.000 0.690 446 A CB 1.135 20.137 19.000 0.003 0.000 1.287 446 A HN 0.823 nan 8.150 nan 0.000 0.402 447 N N 0.706 119.408 118.700 0.002 0.000 2.405 447 N HA 0.035 4.775 4.740 -0.000 0.000 0.260 447 N C 0.847 176.355 175.510 -0.004 0.000 1.152 447 N CA -0.119 52.931 53.050 0.000 0.000 0.948 447 N CB 0.925 39.413 38.487 0.001 0.000 1.111 447 N HN 0.682 nan 8.380 nan 0.000 0.485 448 R N 2.717 123.213 120.500 -0.006 0.000 2.371 448 R HA -0.160 4.179 4.340 -0.000 0.000 0.226 448 R C 1.073 177.368 176.300 -0.009 0.000 1.132 448 R CA 1.431 57.524 56.100 -0.011 0.000 1.027 448 R CB 0.110 30.401 30.300 -0.014 0.000 0.848 448 R HN 0.669 nan 8.270 nan 0.000 0.479 449 E N -1.801 118.396 120.200 -0.006 0.000 2.184 449 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 449 E C 1.443 178.041 176.600 -0.003 0.000 0.978 449 E CA 1.413 57.811 56.400 -0.004 0.000 0.998 449 E CB -0.484 29.215 29.700 -0.003 0.000 1.240 449 E HN 0.100 nan 8.360 nan 0.000 0.492 450 T N 0.228 114.781 114.554 -0.002 0.000 3.070 450 T HA -0.266 4.084 4.350 -0.000 0.000 0.270 450 T C 0.987 175.686 174.700 -0.001 0.000 1.175 450 T CA 2.095 64.194 62.100 -0.001 0.000 1.073 450 T CB -0.819 68.049 68.868 0.000 0.000 0.840 450 T HN 0.583 nan 8.240 nan 0.000 0.576 451 K N -1.304 119.095 120.400 -0.002 0.000 3.472 451 K HA -0.188 4.132 4.320 -0.000 0.000 0.315 451 K C -0.287 176.312 176.600 -0.001 0.000 1.320 451 K CA 1.405 57.690 56.287 -0.003 0.000 0.962 451 K CB -2.574 29.925 32.500 -0.003 0.000 1.251 451 K HN 0.536 nan 8.250 nan 0.000 0.443 452 L N 0.128 121.351 121.223 0.000 0.000 2.387 452 L HA 0.790 5.130 4.340 -0.000 0.000 0.266 452 L C 0.854 177.726 176.870 0.003 0.000 1.059 452 L CA -0.200 54.641 54.840 0.002 0.000 0.801 452 L CB 1.796 43.856 42.059 0.002 0.000 1.223 452 L HN 0.379 nan 8.230 nan 0.000 0.456 453 G N 0.404 109.207 108.800 0.005 0.000 2.495 453 G HA2 0.534 4.494 3.960 -0.000 0.000 0.294 453 G HA3 0.534 4.494 3.960 -0.000 0.000 0.294 453 G C -2.135 172.769 174.900 0.007 0.000 1.397 453 G CA -0.692 44.413 45.100 0.008 0.000 0.790 453 G HN 0.442 nan 8.290 nan 0.000 0.486 454 K N -0.882 119.524 120.400 0.009 0.000 2.546 454 K HA 0.761 5.081 4.320 -0.000 0.000 0.264 454 K C -0.972 175.631 176.600 0.006 0.000 0.937 454 K CA -0.917 55.372 56.287 0.004 0.000 0.833 454 K CB 2.677 35.177 32.500 -0.000 0.000 1.378 454 K HN 1.025 nan 8.250 nan 0.000 0.432 455 A N 0.825 123.641 122.820 -0.007 0.000 2.365 455 A HA 0.943 5.263 4.320 -0.000 0.000 0.318 455 A C -0.487 177.061 177.584 -0.061 0.000 1.091 455 A CA -0.409 51.621 52.037 -0.011 0.000 0.763 455 A CB 1.828 20.830 19.000 0.003 0.000 1.248 455 A HN 0.846 nan 8.150 nan 0.000 0.442 456 G N -0.269 108.495 108.800 -0.060 0.000 2.547 456 G HA2 0.592 4.551 3.960 -0.000 0.000 0.291 456 G HA3 0.592 4.551 3.960 -0.000 0.000 0.291 456 G C -1.126 173.765 174.900 -0.015 0.000 1.471 456 G CA -0.221 44.793 45.100 -0.143 0.000 0.798 456 G HN 1.370 nan 8.290 nan 0.000 0.504 457 Y N -2.141 118.224 120.300 0.108 0.000 2.686 457 Y HA 0.883 5.433 4.550 -0.000 0.000 0.330 457 Y C -0.910 175.114 175.900 0.206 0.000 1.082 457 Y CA -1.691 56.529 58.100 0.199 0.000 1.158 457 Y CB 2.321 40.972 38.460 0.318 0.000 1.333 457 Y HN 0.560 nan 8.280 nan 0.000 0.519 458 V N 1.203 121.439 119.914 0.537 0.000 2.817 458 V HA 0.451 4.571 4.120 -0.000 0.000 0.303 458 V C -0.671 175.490 176.094 0.112 0.000 1.151 458 V CA -0.191 62.267 62.300 0.263 0.000 0.929 458 V CB 2.409 34.332 31.823 0.167 0.000 1.030 458 V HN 1.116 nan 8.190 nan 0.000 0.427 459 T N 1.259 115.748 114.554 -0.108 0.000 2.927 459 T HA 0.364 4.714 4.350 -0.000 0.000 0.286 459 T C 1.133 175.723 174.700 -0.184 0.000 1.040 459 T CA -0.187 61.755 62.100 -0.264 0.000 1.010 459 T CB 1.455 69.947 68.868 -0.626 0.000 1.177 459 T HN 0.731 nan 8.240 nan 0.000 0.546 460 N N 0.525 119.125 118.700 -0.167 0.000 2.244 460 N HA -0.134 4.606 4.740 -0.000 0.000 0.183 460 N C 1.216 176.649 175.510 -0.128 0.000 1.016 460 N CA 0.539 53.516 53.050 -0.121 0.000 0.866 460 N CB -0.110 38.331 38.487 -0.075 0.000 0.980 460 N HN 0.549 nan 8.380 nan 0.000 0.430 461 K N -0.081 120.220 120.400 -0.165 0.000 2.459 461 K HA 0.078 4.398 4.320 -0.000 0.000 0.193 461 K C 0.852 177.384 176.600 -0.114 0.000 1.030 461 K CA 0.518 56.723 56.287 -0.136 0.000 1.026 461 K CB 0.198 32.603 32.500 -0.158 0.000 0.809 461 K HN 0.465 nan 8.250 nan 0.000 0.504 462 G N 1.827 110.554 108.800 -0.120 0.000 2.175 462 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.244 462 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.244 462 G C -0.039 174.826 174.900 -0.059 0.000 0.982 462 G CA -0.310 44.742 45.100 -0.080 0.000 0.641 462 G HN 0.226 nan 8.290 nan 0.000 0.527 463 R N 0.491 120.930 120.500 -0.101 0.000 2.543 463 R HA 0.537 4.877 4.340 -0.000 0.000 0.277 463 R C 0.242 176.569 176.300 0.044 0.000 1.074 463 R CA 0.464 56.533 56.100 -0.051 0.000 1.076 463 R CB 0.392 30.609 30.300 -0.138 0.000 0.993 463 R HN 0.521 nan 8.270 nan 0.000 0.459 464 Q N 1.128 121.069 119.800 0.235 0.000 2.462 464 Q HA 0.462 4.802 4.340 -0.000 0.000 0.285 464 Q C -1.362 174.934 176.000 0.494 0.000 1.035 464 Q CA -0.906 55.158 55.803 0.435 0.000 0.799 464 Q CB 3.321 32.186 28.738 0.211 0.000 1.452 464 Q HN 0.354 nan 8.270 nan 0.000 0.404 465 K N 0.735 121.275 120.400 0.233 0.000 2.572 465 K HA 0.567 4.887 4.320 -0.000 0.000 0.263 465 K C -2.069 174.378 176.600 -0.255 0.000 0.932 465 K CA -0.454 55.737 56.287 -0.159 0.000 0.838 465 K CB 2.204 34.434 32.500 -0.449 0.000 1.366 465 K HN 0.407 nan 8.250 nan 0.000 0.425 466 V N 3.160 122.988 119.914 -0.144 0.000 2.638 466 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 466 V C -0.914 175.126 176.094 -0.091 0.000 1.052 466 V CA -0.816 61.422 62.300 -0.103 0.000 0.885 466 V CB 1.999 33.799 31.823 -0.038 0.000 0.999 466 V HN 0.518 nan 8.190 nan 0.000 0.424 467 V N 6.715 126.579 119.914 -0.083 0.000 2.495 467 V HA 0.508 4.628 4.120 -0.000 0.000 0.298 467 V C -2.285 173.793 176.094 -0.027 0.000 1.031 467 V CA -1.893 60.375 62.300 -0.054 0.000 0.871 467 V CB 2.469 34.258 31.823 -0.056 0.000 0.988 467 V HN 0.754 nan 8.190 nan 0.000 0.432 468 P HA 0.330 nan 4.420 nan 0.000 0.276 468 P C -1.234 176.064 177.300 -0.002 0.000 1.235 468 P CA -0.084 63.012 63.100 -0.007 0.000 0.772 468 P CB 1.266 32.963 31.700 -0.005 0.000 0.871 469 L N 2.292 123.515 121.223 0.001 0.000 2.409 469 L HA 0.442 4.782 4.340 -0.000 0.000 0.272 469 L C 0.467 177.339 176.870 0.003 0.000 0.980 469 L CA -0.470 54.372 54.840 0.003 0.000 0.826 469 L CB 2.529 44.592 42.059 0.007 0.000 1.268 469 L HN 0.359 nan 8.230 nan 0.000 0.407 470 T N 1.376 115.931 114.554 0.002 0.000 2.912 470 T HA 0.347 4.697 4.350 -0.000 0.000 0.288 470 T C -0.291 174.410 174.700 0.001 0.000 1.030 470 T CA -0.360 61.741 62.100 0.001 0.000 1.020 470 T CB 0.774 69.643 68.868 0.001 0.000 1.056 470 T HN 0.824 nan 8.240 nan 0.000 0.480 471 N N 0.987 119.687 118.700 -0.000 0.000 2.642 471 N HA -0.159 4.581 4.740 -0.000 0.000 0.269 471 N C -0.504 175.005 175.510 -0.001 0.000 1.073 471 N CA 1.206 54.255 53.050 -0.001 0.000 0.748 471 N CB -1.797 36.689 38.487 -0.001 0.000 0.894 471 N HN 0.637 nan 8.380 nan 0.000 0.548 472 T N -1.080 113.473 114.554 -0.001 0.000 2.696 472 T HA 0.768 5.118 4.350 -0.000 0.000 0.291 472 T C -1.023 173.673 174.700 -0.006 0.000 1.095 472 T CA -0.028 62.071 62.100 -0.001 0.000 1.026 472 T CB 1.759 70.630 68.868 0.004 0.000 1.390 472 T HN 0.326 nan 8.240 nan 0.000 0.513 473 T N 1.813 116.362 114.554 -0.008 0.000 2.908 473 T HA 0.327 4.677 4.350 -0.000 0.000 0.290 473 T C 0.927 175.615 174.700 -0.019 0.000 1.034 473 T CA -0.556 61.531 62.100 -0.022 0.000 1.010 473 T CB 1.482 70.325 68.868 -0.042 0.000 1.068 473 T HN 0.676 nan 8.240 nan 0.000 0.481 474 N N 1.188 119.873 118.700 -0.025 0.000 2.493 474 N HA -0.167 4.573 4.740 -0.000 0.000 0.191 474 N C 1.892 177.393 175.510 -0.015 0.000 1.041 474 N CA 2.168 55.211 53.050 -0.013 0.000 0.904 474 N CB 0.043 38.518 38.487 -0.021 0.000 0.948 474 N HN 0.689 nan 8.380 nan 0.000 0.446 475 Q N 0.839 120.604 119.800 -0.057 0.000 1.994 475 Q HA 0.068 4.408 4.340 -0.000 0.000 0.197 475 Q C 1.980 178.005 176.000 0.041 0.000 0.981 475 Q CA 1.342 57.093 55.803 -0.086 0.000 0.838 475 Q CB -1.037 27.530 28.738 -0.284 0.000 0.904 475 Q HN 0.473 nan 8.270 nan 0.000 0.460 476 K N 0.578 120.996 120.400 0.030 0.000 2.318 476 K HA -0.234 4.086 4.320 -0.000 0.000 0.204 476 K C 2.012 178.649 176.600 0.062 0.000 1.044 476 K CA 2.291 58.612 56.287 0.057 0.000 0.932 476 K CB -0.444 32.073 32.500 0.028 0.000 0.734 476 K HN 0.716 nan 8.250 nan 0.000 0.473 477 T N -2.013 112.574 114.554 0.055 0.000 2.852 477 T HA -0.028 4.322 4.350 -0.000 0.000 0.256 477 T C 1.485 176.236 174.700 0.085 0.000 1.038 477 T CA 0.771 62.906 62.100 0.058 0.000 1.141 477 T CB -0.255 68.638 68.868 0.042 0.000 0.869 477 T HN 0.304 nan 8.240 nan 0.000 0.439 478 E N 1.285 121.550 120.200 0.109 0.000 2.233 478 E HA -0.112 4.238 4.350 -0.000 0.000 0.199 478 E C 2.070 178.753 176.600 0.139 0.000 1.004 478 E CA 1.075 57.559 56.400 0.141 0.000 0.819 478 E CB -0.395 29.427 29.700 0.202 0.000 0.738 478 E HN 0.519 nan 8.360 nan 0.000 0.478 479 L N -0.054 121.254 121.223 0.142 0.000 2.168 479 L HA -0.106 4.234 4.340 -0.000 0.000 0.203 479 L C 2.569 179.508 176.870 0.115 0.000 1.078 479 L CA 0.339 55.247 54.840 0.114 0.000 0.780 479 L CB -0.162 41.961 42.059 0.106 0.000 0.939 479 L HN 0.041 nan 8.230 nan 0.000 0.451 480 Q N 0.691 120.552 119.800 0.102 0.000 2.047 480 Q HA -0.272 4.068 4.340 -0.000 0.000 0.211 480 Q C 2.216 178.299 176.000 0.137 0.000 1.005 480 Q CA 2.708 58.580 55.803 0.116 0.000 0.866 480 Q CB -0.522 28.260 28.738 0.073 0.000 0.938 480 Q HN 0.461 nan 8.270 nan 0.000 0.414 481 A N 0.187 123.056 122.820 0.081 0.000 1.859 481 A HA -0.240 4.079 4.320 -0.000 0.000 0.217 481 A C 2.213 179.820 177.584 0.038 0.000 1.198 481 A CA 1.912 53.976 52.037 0.045 0.000 0.629 481 A CB -1.122 17.913 19.000 0.058 0.000 0.830 481 A HN 0.509 nan 8.150 nan 0.000 0.446 482 I N -1.946 118.661 120.570 0.062 0.000 2.145 482 I HA -0.345 3.825 4.170 -0.000 0.000 0.244 482 I C 2.519 178.641 176.117 0.009 0.000 1.075 482 I CA 2.341 63.662 61.300 0.035 0.000 1.332 482 I CB -0.477 37.554 38.000 0.052 0.000 1.033 482 I HN 0.599 nan 8.210 nan 0.000 0.410 483 Y N 1.155 121.426 120.300 -0.049 0.000 2.224 483 Y HA -0.274 4.276 4.550 -0.000 0.000 0.289 483 Y C 2.264 178.117 175.900 -0.079 0.000 1.146 483 Y CA 1.444 59.506 58.100 -0.064 0.000 1.182 483 Y CB -0.335 38.097 38.460 -0.047 0.000 0.983 483 Y HN 0.072 nan 8.280 nan 0.000 0.524 484 L N 0.636 121.745 121.223 -0.191 0.000 2.012 484 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 484 L C 2.465 179.161 176.870 -0.290 0.000 1.073 484 L CA 2.159 56.841 54.840 -0.264 0.000 0.748 484 L CB -1.590 40.359 42.059 -0.184 0.000 0.891 484 L HN 0.287 nan 8.230 nan 0.000 0.431 485 A N -0.293 122.373 122.820 -0.256 0.000 1.842 485 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 485 A C 2.260 179.517 177.584 -0.546 0.000 1.206 485 A CA 2.261 53.979 52.037 -0.531 0.000 0.630 485 A CB -1.259 17.477 19.000 -0.440 0.000 0.839 485 A HN 0.485 nan 8.150 nan 0.000 0.447 486 L N -0.651 120.355 121.223 -0.362 0.000 2.151 486 L HA -0.353 3.987 4.340 -0.000 0.000 0.215 486 L C 2.915 179.603 176.870 -0.303 0.000 1.084 486 L CA 1.887 56.562 54.840 -0.275 0.000 0.764 486 L CB -0.627 41.309 42.059 -0.205 0.000 0.891 486 L HN 0.566 nan 8.230 nan 0.000 0.435 487 Q N -0.451 119.102 119.800 -0.412 0.000 2.016 487 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 487 Q C 1.661 177.554 176.000 -0.179 0.000 0.978 487 Q CA 1.614 57.213 55.803 -0.340 0.000 0.833 487 Q CB -0.020 28.456 28.738 -0.437 0.000 0.895 487 Q HN 0.499 nan 8.270 nan 0.000 0.427 488 D N 0.416 120.728 120.400 -0.148 0.000 2.323 488 D HA -0.030 4.610 4.640 -0.000 0.000 0.209 488 D C 0.901 177.219 176.300 0.029 0.000 0.973 488 D CA 0.407 54.401 54.000 -0.010 0.000 0.874 488 D CB -0.075 40.827 40.800 0.169 0.000 0.930 488 D HN 0.148 nan 8.370 nan 0.000 0.521 489 S N -0.377 115.280 115.700 -0.072 0.000 2.612 489 S HA 0.391 4.860 4.470 -0.000 0.000 0.253 489 S C 0.896 175.549 174.600 0.089 0.000 1.346 489 S CA -0.242 58.054 58.200 0.160 0.000 0.976 489 S CB 0.858 64.115 63.200 0.096 0.000 0.949 489 S HN 0.136 nan 8.310 nan 0.000 0.584 490 G N -1.066 107.796 108.800 0.102 0.000 2.671 490 G HA2 0.496 4.456 3.960 -0.000 0.000 0.275 490 G HA3 0.496 4.456 3.960 -0.000 0.000 0.275 490 G C 0.669 175.590 174.900 0.036 0.000 1.368 490 G CA -0.929 44.201 45.100 0.051 0.000 1.044 490 G HN 0.657 nan 8.290 nan 0.000 0.543 491 L N -0.834 120.404 121.223 0.025 0.000 2.137 491 L HA -0.038 4.302 4.340 -0.000 0.000 0.213 491 L C 0.781 177.669 176.870 0.031 0.000 1.085 491 L CA 1.308 56.161 54.840 0.020 0.000 0.760 491 L CB -0.369 41.701 42.059 0.018 0.000 0.893 491 L HN 0.354 nan 8.230 nan 0.000 0.434 492 E N -1.704 118.522 120.200 0.042 0.000 2.288 492 E HA 0.687 5.037 4.350 -0.000 0.000 0.268 492 E C -1.088 175.559 176.600 0.077 0.000 0.885 492 E CA -0.357 56.076 56.400 0.055 0.000 0.767 492 E CB 3.234 32.961 29.700 0.045 0.000 1.220 492 E HN -0.195 nan 8.360 nan 0.000 0.427 493 V N 2.027 121.999 119.914 0.097 0.000 3.236 493 V HA 0.430 4.550 4.120 -0.000 0.000 0.287 493 V C -1.952 174.237 176.094 0.160 0.000 1.491 493 V CA -0.741 61.641 62.300 0.138 0.000 1.037 493 V CB 2.552 34.479 31.823 0.173 0.000 1.160 493 V HN 0.688 nan 8.190 nan 0.000 0.453 494 N N 4.234 123.041 118.700 0.179 0.000 2.524 494 N HA 0.590 5.330 4.740 -0.000 0.000 0.261 494 N C -0.900 174.706 175.510 0.160 0.000 0.998 494 N CA -0.132 53.036 53.050 0.196 0.000 0.915 494 N CB 1.679 40.271 38.487 0.175 0.000 1.187 494 N HN 0.597 nan 8.380 nan 0.000 0.507 495 I N 0.924 121.556 120.570 0.103 0.000 2.566 495 I HA 0.495 4.665 4.170 -0.000 0.000 0.303 495 I C -0.025 176.068 176.117 -0.041 0.000 0.983 495 I CA -0.985 60.349 61.300 0.057 0.000 1.235 495 I CB 1.748 39.761 38.000 0.021 0.000 1.386 495 I HN -0.063 nan 8.210 nan 0.000 0.494 496 V N 3.042 122.895 119.914 -0.102 0.000 2.612 496 V HA 0.384 4.504 4.120 -0.000 0.000 0.301 496 V C -0.340 175.686 176.094 -0.114 0.000 1.059 496 V CA -0.440 61.750 62.300 -0.183 0.000 0.886 496 V CB 2.200 33.756 31.823 -0.444 0.000 1.007 496 V HN 0.935 nan 8.190 nan 0.000 0.426 497 T N -0.231 114.296 114.554 -0.045 0.000 2.942 497 T HA 0.490 4.840 4.350 -0.000 0.000 0.289 497 T C 0.199 174.859 174.700 -0.066 0.000 1.044 497 T CA -0.512 61.603 62.100 0.025 0.000 1.023 497 T CB 2.014 70.971 68.868 0.147 0.000 1.123 497 T HN 0.692 nan 8.240 nan 0.000 0.512 498 D N -0.895 119.515 120.400 0.017 0.000 2.349 498 D HA 0.063 4.703 4.640 -0.000 0.000 0.214 498 D C 0.397 177.030 176.300 0.555 0.000 1.063 498 D CA -0.287 53.709 54.000 -0.008 0.000 0.847 498 D CB 0.079 40.901 40.800 0.037 0.000 0.933 498 D HN 0.369 nan 8.370 nan 0.000 0.513 499 S N 0.829 116.874 115.700 0.574 0.000 2.466 499 S HA 0.089 4.559 4.470 -0.000 0.000 0.313 499 S C 1.300 176.075 174.600 0.291 0.000 1.078 499 S CA -0.626 57.861 58.200 0.479 0.000 1.115 499 S CB 0.645 64.034 63.200 0.315 0.000 1.006 499 S HN 0.212 nan 8.310 nan 0.000 0.487 500 Q N 3.673 123.446 119.800 -0.046 0.000 2.181 500 Q HA -0.217 4.123 4.340 -0.000 0.000 0.205 500 Q C 1.446 177.337 176.000 -0.182 0.000 0.980 500 Q CA 1.466 56.941 55.803 -0.545 0.000 0.862 500 Q CB -0.652 27.647 28.738 -0.732 0.000 0.905 500 Q HN 0.857 nan 8.270 nan 0.000 0.429 501 Y N 2.122 122.378 120.300 -0.074 0.000 2.036 501 Y HA -0.270 4.280 4.550 -0.000 0.000 0.273 501 Y C 2.588 178.494 175.900 0.010 0.000 1.135 501 Y CA 1.875 59.963 58.100 -0.019 0.000 1.106 501 Y CB -0.881 37.590 38.460 0.020 0.000 0.976 501 Y HN 0.139 nan 8.280 nan 0.000 0.483 502 A N 0.553 123.215 122.820 -0.264 0.000 1.908 502 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 502 A C 2.283 179.755 177.584 -0.186 0.000 1.181 502 A CA 1.819 53.690 52.037 -0.277 0.000 0.627 502 A CB -1.460 17.558 19.000 0.030 0.000 0.818 502 A HN 0.670 nan 8.150 nan 0.000 0.445 503 L N 0.189 121.367 121.223 -0.074 0.000 1.978 503 L HA -0.149 4.191 4.340 -0.000 0.000 0.218 503 L C 2.338 179.146 176.870 -0.103 0.000 1.075 503 L CA 2.808 57.618 54.840 -0.050 0.000 0.767 503 L CB -1.078 40.951 42.059 -0.050 0.000 0.890 503 L HN 0.280 nan 8.230 nan 0.000 0.434 504 G N -0.624 108.080 108.800 -0.161 0.000 2.471 504 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.219 504 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.219 504 G C 1.426 176.272 174.900 -0.090 0.000 1.125 504 G CA 0.763 45.790 45.100 -0.121 0.000 0.775 504 G HN 0.410 nan 8.290 nan 0.000 0.548 505 I N 0.833 121.282 120.570 -0.202 0.000 2.406 505 I HA 0.050 4.220 4.170 -0.000 0.000 0.249 505 I C 2.614 178.679 176.117 -0.086 0.000 1.122 505 I CA 0.534 61.733 61.300 -0.168 0.000 1.431 505 I CB -0.711 37.069 38.000 -0.367 0.000 1.087 505 I HN 0.194 nan 8.210 nan 0.000 0.424 506 I N -0.091 120.436 120.570 -0.072 0.000 2.400 506 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 506 I C 2.529 178.693 176.117 0.078 0.000 1.109 506 I CA 0.560 61.868 61.300 0.015 0.000 1.425 506 I CB -0.408 37.595 38.000 0.006 0.000 1.094 506 I HN 0.142 nan 8.210 nan 0.000 0.425 507 Q N 1.815 121.641 119.800 0.043 0.000 2.156 507 Q HA -0.265 4.075 4.340 -0.000 0.000 0.211 507 Q C 2.135 178.218 176.000 0.138 0.000 0.995 507 Q CA 2.655 58.500 55.803 0.069 0.000 0.877 507 Q CB -0.379 28.377 28.738 0.030 0.000 0.920 507 Q HN 0.537 nan 8.270 nan 0.000 0.416 508 A N -0.534 122.390 122.820 0.173 0.000 2.121 508 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 508 A C 0.203 177.916 177.584 0.215 0.000 1.154 508 A CA 1.010 53.203 52.037 0.260 0.000 0.679 508 A CB -0.243 18.932 19.000 0.291 0.000 0.795 508 A HN 0.577 nan 8.150 nan 0.000 0.458 509 Q N -1.387 118.515 119.800 0.170 0.000 2.456 509 Q HA -0.113 4.227 4.340 -0.000 0.000 0.325 509 Q C -2.442 173.625 176.000 0.112 0.000 1.453 509 Q CA 0.384 56.263 55.803 0.127 0.000 0.848 509 Q CB -1.655 27.030 28.738 -0.088 0.000 1.123 509 Q HN 0.623 nan 8.270 nan 0.000 0.374 510 P HA 0.077 nan 4.420 nan 0.000 0.276 510 P C -0.091 177.363 177.300 0.256 0.000 1.252 510 P CA 0.110 63.304 63.100 0.157 0.000 0.802 510 P CB 0.882 32.665 31.700 0.139 0.000 1.035 511 D N -0.892 119.631 120.400 0.206 0.000 2.457 511 D HA 0.058 4.698 4.640 -0.000 0.000 0.254 511 D C 0.214 176.694 176.300 0.301 0.000 1.097 511 D CA 0.542 54.751 54.000 0.347 0.000 0.870 511 D CB 0.094 41.040 40.800 0.243 0.000 1.253 511 D HN 0.436 nan 8.370 nan 0.000 0.500 512 K N -0.333 120.180 120.400 0.189 0.000 2.422 512 K HA 0.696 5.016 4.320 -0.000 0.000 0.251 512 K C -1.230 175.471 176.600 0.169 0.000 0.933 512 K CA -0.759 55.629 56.287 0.168 0.000 0.798 512 K CB 2.553 35.133 32.500 0.133 0.000 1.238 512 K HN -0.052 nan 8.250 nan 0.000 0.428 513 S N 0.462 116.261 115.700 0.165 0.000 2.550 513 S HA 0.403 4.873 4.470 -0.000 0.000 0.270 513 S C 0.523 175.222 174.600 0.165 0.000 1.145 513 S CA 0.240 58.582 58.200 0.236 0.000 0.852 513 S CB 1.646 65.025 63.200 0.298 0.000 1.119 513 S HN 0.785 nan 8.310 nan 0.000 0.465 514 E N 1.349 121.643 120.200 0.157 0.000 2.208 514 E HA 0.085 4.435 4.350 -0.000 0.000 0.193 514 E C 1.028 177.685 176.600 0.094 0.000 0.988 514 E CA 1.299 57.752 56.400 0.088 0.000 0.828 514 E CB -0.419 29.309 29.700 0.047 0.000 0.763 514 E HN 0.679 nan 8.360 nan 0.000 0.478 515 S N 1.359 117.151 115.700 0.154 0.000 2.700 515 S HA 0.101 4.571 4.470 -0.000 0.000 0.321 515 S C 1.497 176.125 174.600 0.048 0.000 1.161 515 S CA 0.309 58.578 58.200 0.115 0.000 1.078 515 S CB 0.146 63.456 63.200 0.184 0.000 1.302 515 S HN 0.502 nan 8.310 nan 0.000 0.540 516 E N 4.751 124.960 120.200 0.017 0.000 2.200 516 E HA -0.270 4.080 4.350 -0.000 0.000 0.211 516 E C 1.627 178.181 176.600 -0.076 0.000 1.048 516 E CA 1.571 57.957 56.400 -0.024 0.000 0.851 516 E CB -0.810 28.872 29.700 -0.030 0.000 0.747 516 E HN 0.620 nan 8.360 nan 0.000 0.462 517 L N 1.028 122.200 121.223 -0.085 0.000 1.989 517 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 517 L C 2.708 179.477 176.870 -0.169 0.000 1.071 517 L CA 1.650 56.391 54.840 -0.166 0.000 0.749 517 L CB -0.765 41.231 42.059 -0.106 0.000 0.890 517 L HN 0.065 nan 8.230 nan 0.000 0.431 518 V N 0.561 120.420 119.914 -0.091 0.000 2.255 518 V HA -0.347 3.773 4.120 -0.000 0.000 0.247 518 V C 2.432 178.481 176.094 -0.075 0.000 1.051 518 V CA 2.082 64.322 62.300 -0.100 0.000 1.018 518 V CB -0.951 30.782 31.823 -0.150 0.000 0.641 518 V HN 0.559 nan 8.190 nan 0.000 0.445 519 N N -0.128 118.548 118.700 -0.040 0.000 2.132 519 N HA -0.247 4.493 4.740 -0.000 0.000 0.191 519 N C 1.871 177.343 175.510 -0.063 0.000 1.015 519 N CA 1.548 54.587 53.050 -0.018 0.000 0.864 519 N CB -0.335 38.151 38.487 -0.003 0.000 1.006 519 N HN 0.535 nan 8.380 nan 0.000 0.430 520 Q N 0.692 120.410 119.800 -0.137 0.000 2.030 520 Q HA -0.087 4.253 4.340 -0.000 0.000 0.204 520 Q C 2.387 178.337 176.000 -0.083 0.000 0.986 520 Q CA 1.070 56.738 55.803 -0.224 0.000 0.843 520 Q CB -0.440 27.944 28.738 -0.589 0.000 0.904 520 Q HN 0.434 nan 8.270 nan 0.000 0.420 521 I N 0.852 121.382 120.570 -0.066 0.000 2.142 521 I HA -0.267 3.902 4.170 -0.000 0.000 0.240 521 I C 2.199 178.298 176.117 -0.031 0.000 1.078 521 I CA 0.753 62.096 61.300 0.073 0.000 1.343 521 I CB -0.486 37.535 38.000 0.035 0.000 1.046 521 I HN 0.141 nan 8.210 nan 0.000 0.405 522 I N 0.640 121.175 120.570 -0.058 0.000 2.290 522 I HA -0.341 3.829 4.170 -0.000 0.000 0.253 522 I C 2.438 178.473 176.117 -0.136 0.000 1.112 522 I CA 1.753 63.002 61.300 -0.083 0.000 1.377 522 I CB -1.409 36.612 38.000 0.035 0.000 1.060 522 I HN 0.418 nan 8.210 nan 0.000 0.428 523 E N 1.032 121.176 120.200 -0.093 0.000 1.998 523 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 523 E C 2.239 178.764 176.600 -0.124 0.000 1.003 523 E CA 1.368 57.699 56.400 -0.115 0.000 0.829 523 E CB -0.073 29.593 29.700 -0.056 0.000 0.777 523 E HN 0.306 nan 8.360 nan 0.000 0.460 524 Q N 0.246 120.014 119.800 -0.054 0.000 2.103 524 Q HA -0.253 4.087 4.340 -0.000 0.000 0.213 524 Q C 2.489 178.405 176.000 -0.140 0.000 1.008 524 Q CA 1.818 57.578 55.803 -0.071 0.000 0.879 524 Q CB -0.674 28.046 28.738 -0.031 0.000 0.946 524 Q HN 0.450 nan 8.270 nan 0.000 0.413 525 L N -0.143 120.949 121.223 -0.218 0.000 2.034 525 L HA -0.284 4.056 4.340 -0.000 0.000 0.217 525 L C 2.458 179.151 176.870 -0.296 0.000 1.077 525 L CA 1.078 55.705 54.840 -0.355 0.000 0.769 525 L CB -0.700 40.893 42.059 -0.776 0.000 0.890 525 L HN 0.215 nan 8.230 nan 0.000 0.435 526 I N 0.224 120.622 120.570 -0.287 0.000 2.074 526 I HA -0.421 3.749 4.170 -0.000 0.000 0.238 526 I C 2.663 178.724 176.117 -0.093 0.000 1.037 526 I CA 1.800 63.001 61.300 -0.164 0.000 1.301 526 I CB -0.597 37.266 38.000 -0.229 0.000 1.016 526 I HN 0.232 nan 8.210 nan 0.000 0.400 527 K N 0.625 120.966 120.400 -0.098 0.000 2.044 527 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 527 K C 0.524 177.105 176.600 -0.032 0.000 1.049 527 K CA 1.161 57.412 56.287 -0.060 0.000 0.927 527 K CB -0.004 32.459 32.500 -0.060 0.000 0.713 527 K HN 0.054 nan 8.250 nan 0.000 0.443 528 K N 1.596 121.973 120.400 -0.037 0.000 2.527 528 K HA -0.118 4.202 4.320 -0.000 0.000 0.278 528 K C 0.862 177.476 176.600 0.023 0.000 0.981 528 K CA 0.569 56.852 56.287 -0.007 0.000 1.009 528 K CB 0.843 33.337 32.500 -0.009 0.000 0.895 528 K HN 0.233 nan 8.250 nan 0.000 0.493 529 E N 1.824 122.044 120.200 0.033 0.000 2.060 529 E HA -0.007 4.343 4.350 -0.000 0.000 0.189 529 E C -0.398 176.241 176.600 0.064 0.000 0.974 529 E CA 1.259 57.686 56.400 0.046 0.000 0.808 529 E CB 0.427 30.149 29.700 0.037 0.000 0.768 529 E HN 0.337 nan 8.360 nan 0.000 0.453 530 K N -0.139 120.301 120.400 0.066 0.000 2.565 530 K HA 0.449 4.769 4.320 -0.000 0.000 0.249 530 K C -1.760 174.900 176.600 0.099 0.000 0.958 530 K CA -0.545 55.795 56.287 0.087 0.000 0.806 530 K CB 2.910 35.456 32.500 0.077 0.000 1.194 530 K HN -0.179 nan 8.250 nan 0.000 0.434 531 V N 3.607 123.595 119.914 0.124 0.000 2.531 531 V HA 0.359 4.479 4.120 -0.000 0.000 0.301 531 V C -1.524 174.677 176.094 0.178 0.000 1.034 531 V CA -0.829 61.544 62.300 0.123 0.000 0.865 531 V CB 1.562 33.428 31.823 0.072 0.000 0.995 531 V HN 0.709 nan 8.190 nan 0.000 0.424 532 Y N 5.463 125.796 120.300 0.055 0.000 2.338 532 Y HA 0.730 5.280 4.550 -0.000 0.000 0.333 532 Y C -1.056 174.873 175.900 0.049 0.000 0.968 532 Y CA -0.695 57.437 58.100 0.053 0.000 1.123 532 Y CB 1.744 40.228 38.460 0.041 0.000 1.165 532 Y HN 0.604 nan 8.280 nan 0.000 0.452 533 L N 6.089 126.929 121.223 -0.638 0.000 2.307 533 L HA 0.901 5.240 4.340 -0.000 0.000 0.284 533 L C -0.931 175.595 176.870 -0.575 0.000 1.023 533 L CA -0.259 54.318 54.840 -0.438 0.000 0.810 533 L CB 1.232 43.174 42.059 -0.195 0.000 1.231 533 L HN 0.806 nan 8.230 nan 0.000 0.423 534 A N 3.913 126.569 122.820 -0.274 0.000 2.414 534 A HA 0.558 4.878 4.320 -0.000 0.000 0.306 534 A C -2.175 175.429 177.584 0.033 0.000 1.054 534 A CA -0.467 51.506 52.037 -0.107 0.000 0.724 534 A CB 0.920 19.931 19.000 0.020 0.000 1.267 534 A HN 0.754 nan 8.150 nan 0.000 0.418 535 W N 3.580 124.844 121.300 -0.060 0.000 2.296 535 W HA 0.569 5.229 4.660 -0.000 0.000 0.316 535 W C -1.065 175.453 176.519 -0.001 0.000 1.022 535 W CA -0.252 57.077 57.345 -0.027 0.000 1.324 535 W CB 1.256 30.703 29.460 -0.021 0.000 1.227 535 W HN 0.579 nan 8.180 nan 0.000 0.409 536 V N 7.338 126.811 119.914 -0.736 0.000 2.973 536 V HA 0.412 4.532 4.120 -0.000 0.000 0.314 536 V C -1.819 173.431 176.094 -1.407 0.000 1.066 536 V CA -2.328 59.552 62.300 -0.700 0.000 1.021 536 V CB 1.101 32.715 31.823 -0.348 0.000 1.076 536 V HN 0.332 nan 8.190 nan 0.000 0.462 537 P HA -0.010 nan 4.420 nan 0.000 0.253 537 P C 0.726 177.731 177.300 -0.491 0.000 1.170 537 P CA 0.749 63.407 63.100 -0.736 0.000 0.806 537 P CB 0.157 31.669 31.700 -0.314 0.000 0.775 538 A N 4.909 127.590 122.820 -0.231 0.000 1.942 538 A HA -0.288 4.032 4.320 -0.000 0.000 0.227 538 A C 1.658 179.374 177.584 0.219 0.000 1.445 538 A CA 2.593 54.756 52.037 0.210 0.000 0.704 538 A CB -1.196 18.167 19.000 0.606 0.000 0.841 538 A HN 0.733 nan 8.150 nan 0.000 0.495 539 H N -4.264 114.813 119.070 0.011 0.000 4.025 539 H HA 0.415 4.971 4.556 -0.000 0.000 0.129 539 H C 2.062 177.389 175.328 -0.002 0.000 1.189 539 H CA 1.033 57.089 56.048 0.014 0.000 1.007 539 H CB -0.998 28.789 29.762 0.042 0.000 1.335 539 H HN 0.403 nan 8.280 nan 0.000 0.302 540 K N 1.695 121.833 120.400 -0.436 0.000 1.976 540 K HA -0.141 4.179 4.320 -0.000 0.000 0.233 540 K C 1.880 178.369 176.600 -0.185 0.000 1.012 540 K CA 1.978 58.101 56.287 -0.274 0.000 1.049 540 K CB -2.132 30.154 32.500 -0.356 0.000 0.722 540 K HN 0.790 nan 8.250 nan 0.000 0.465 541 G N 0.492 109.162 108.800 -0.218 0.000 2.326 541 G HA2 0.303 4.263 3.960 -0.000 0.000 0.286 541 G HA3 0.303 4.263 3.960 -0.000 0.000 0.286 541 G C 0.030 174.858 174.900 -0.119 0.000 0.927 541 G CA 0.173 45.191 45.100 -0.135 0.000 1.553 541 G HN 0.658 nan 8.290 nan 0.000 0.415 542 I N 4.000 124.525 120.570 -0.075 0.000 2.224 542 I HA 0.278 4.448 4.170 -0.000 0.000 0.293 542 I C 1.317 177.414 176.117 -0.034 0.000 1.155 542 I CA -0.403 60.868 61.300 -0.049 0.000 1.297 542 I CB 0.041 38.025 38.000 -0.027 0.000 1.487 542 I HN 0.448 nan 8.210 nan 0.000 0.564 543 G N 3.677 112.458 108.800 -0.032 0.000 3.107 543 G HA2 0.035 3.995 3.960 -0.000 0.000 0.155 543 G HA3 0.035 3.995 3.960 -0.000 0.000 0.155 543 G C 1.154 176.059 174.900 0.008 0.000 1.875 543 G CA 0.544 45.639 45.100 -0.007 0.000 1.004 543 G HN 0.571 nan 8.290 nan 0.000 0.480 544 G N -0.261 108.584 108.800 0.074 0.000 2.422 544 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 544 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 544 G C 1.552 176.436 174.900 -0.027 0.000 1.140 544 G CA 0.748 45.821 45.100 -0.045 0.000 0.775 544 G HN 0.399 nan 8.290 nan 0.000 0.545 545 N N 0.679 119.519 118.700 0.234 0.000 2.550 545 N HA -0.050 4.690 4.740 -0.000 0.000 0.186 545 N C 1.919 177.473 175.510 0.073 0.000 1.110 545 N CA 0.460 53.639 53.050 0.213 0.000 0.912 545 N CB -0.063 38.518 38.487 0.156 0.000 0.968 545 N HN 0.602 nan 8.380 nan 0.000 0.448 546 E N 0.134 120.348 120.200 0.023 0.000 2.219 546 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 546 E C 0.867 177.469 176.600 0.003 0.000 0.998 546 E CA 1.142 57.544 56.400 0.003 0.000 0.818 546 E CB 0.295 29.985 29.700 -0.018 0.000 0.741 546 E HN 0.261 nan 8.360 nan 0.000 0.477 547 Q N -0.758 119.037 119.800 -0.009 0.000 2.396 547 Q HA 0.045 4.385 4.340 -0.000 0.000 0.209 547 Q C 1.993 178.012 176.000 0.031 0.000 0.906 547 Q CA 0.365 56.165 55.803 -0.006 0.000 0.927 547 Q CB 1.017 29.729 28.738 -0.044 0.000 1.069 547 Q HN 0.248 nan 8.270 nan 0.000 0.523 548 V N 0.911 120.865 119.914 0.066 0.000 3.052 548 V HA -0.068 4.051 4.120 -0.000 0.000 0.254 548 V C 2.117 178.259 176.094 0.079 0.000 1.100 548 V CA 1.758 64.119 62.300 0.101 0.000 1.112 548 V CB -0.876 31.048 31.823 0.168 0.000 0.738 548 V HN 0.396 nan 8.190 nan 0.000 0.469 549 D N 0.783 121.223 120.400 0.067 0.000 2.144 549 D HA -0.239 4.401 4.640 -0.000 0.000 0.200 549 D C 2.084 178.411 176.300 0.045 0.000 0.978 549 D CA 1.715 55.750 54.000 0.057 0.000 0.833 549 D CB -0.163 40.669 40.800 0.053 0.000 0.961 549 D HN 0.405 nan 8.370 nan 0.000 0.470 550 K N -0.500 119.922 120.400 0.037 0.000 1.991 550 K HA 0.129 4.449 4.320 -0.000 0.000 0.207 550 K C 1.385 178.001 176.600 0.028 0.000 1.045 550 K CA 0.564 56.868 56.287 0.028 0.000 0.937 550 K CB -0.704 31.808 32.500 0.021 0.000 0.720 550 K HN 0.344 nan 8.250 nan 0.000 0.438 551 L N 1.345 122.586 121.223 0.031 0.000 2.862 551 L HA 0.280 4.620 4.340 -0.000 0.000 0.240 551 L C -1.108 175.781 176.870 0.030 0.000 1.283 551 L CA -0.284 54.574 54.840 0.028 0.000 1.117 551 L CB 0.280 42.357 42.059 0.030 0.000 1.444 551 L HN -0.066 nan 8.230 nan 0.000 0.456 552 V N 0.000 119.933 119.914 0.031 0.000 2.409 552 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 552 V CA 0.000 62.317 62.300 0.029 0.000 1.235 552 V CB 0.000 31.849 31.823 0.043 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556