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 3klg_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE LEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKNSTR WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLYTPDQK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDICKL 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 LVSA 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 0.000 177.387 177.300 0.145 0.000 1.155 1 P CA 0.000 63.172 63.100 0.121 0.000 0.800 1 P CB 0.000 31.762 31.700 0.103 0.000 0.726 2 I N 1.324 121.971 120.570 0.128 0.000 2.693 2 I HA 0.448 4.633 4.170 0.024 0.000 0.303 2 I C 0.189 176.379 176.117 0.121 0.000 1.025 2 I CA 0.144 61.527 61.300 0.138 0.000 1.086 2 I CB 2.007 40.087 38.000 0.134 0.000 1.268 2 I HN 0.346 nan 8.210 nan 0.000 0.440 3 S N 1.536 117.314 115.700 0.131 0.000 3.034 3 S HA -0.077 4.408 4.470 0.024 0.000 0.273 3 S C -1.600 173.085 174.600 0.143 0.000 1.337 3 S CA 0.193 58.465 58.200 0.121 0.000 0.994 3 S CB -2.356 60.899 63.200 0.091 0.000 1.228 3 S HN 0.717 nan 8.310 nan 0.000 0.696 4 P HA 0.412 nan 4.420 nan 0.000 0.217 4 P C 0.592 178.115 177.300 0.371 0.000 1.153 4 P CA 0.498 63.757 63.100 0.264 0.000 0.843 4 P CB -0.040 31.869 31.700 0.349 0.000 0.794 5 I N -0.447 120.298 120.570 0.292 0.000 2.793 5 I HA 0.240 4.425 4.170 0.024 0.000 0.313 5 I C 0.668 176.867 176.117 0.137 0.000 0.998 5 I CA -1.127 60.298 61.300 0.207 0.000 1.140 5 I CB 0.613 38.647 38.000 0.056 0.000 1.327 5 I HN -0.230 nan 8.210 nan 0.000 0.491 6 E N 1.131 121.391 120.200 0.100 0.000 2.366 6 E HA 0.247 4.612 4.350 0.024 0.000 0.266 6 E C -0.449 176.191 176.600 0.067 0.000 1.051 6 E CA -0.387 56.062 56.400 0.081 0.000 0.884 6 E CB 0.760 30.500 29.700 0.067 0.000 1.006 6 E HN 0.689 nan 8.360 nan 0.000 0.417 7 T N -1.291 113.305 114.554 0.070 0.000 2.832 7 T HA 0.233 4.597 4.350 0.024 0.000 0.296 7 T C 0.137 174.873 174.700 0.060 0.000 0.968 7 T CA -0.933 61.208 62.100 0.069 0.000 1.107 7 T CB 0.619 69.531 68.868 0.073 0.000 0.916 7 T HN 0.081 nan 8.240 nan 0.000 0.517 8 V N 7.017 126.970 119.914 0.065 0.000 2.455 8 V HA 0.264 4.399 4.120 0.024 0.000 0.273 8 V C -1.594 174.538 176.094 0.062 0.000 1.045 8 V CA -1.779 60.560 62.300 0.066 0.000 0.976 8 V CB 0.364 32.239 31.823 0.086 0.000 0.993 8 V HN 0.847 nan 8.190 nan 0.000 0.475 9 P HA 0.087 nan 4.420 nan 0.000 0.264 9 P C -0.581 176.718 177.300 -0.002 0.000 1.236 9 P CA 0.326 63.440 63.100 0.022 0.000 0.811 9 P CB 0.638 32.350 31.700 0.019 0.000 0.840 10 V N 5.502 125.380 119.914 -0.060 0.000 2.483 10 V HA 0.383 4.518 4.120 0.024 0.000 0.295 10 V C 0.563 176.534 176.094 -0.204 0.000 1.035 10 V CA -0.404 61.800 62.300 -0.159 0.000 0.896 10 V CB 1.917 33.540 31.823 -0.333 0.000 0.986 10 V HN 0.441 nan 8.190 nan 0.000 0.447 11 K N 3.552 123.855 120.400 -0.162 0.000 2.400 11 K HA 0.701 5.036 4.320 0.024 0.000 0.246 11 K C -1.314 175.268 176.600 -0.031 0.000 0.995 11 K CA -0.842 55.414 56.287 -0.052 0.000 0.840 11 K CB 2.408 34.885 32.500 -0.039 0.000 1.293 11 K HN 0.418 nan 8.250 nan 0.000 0.445 12 L N 1.804 123.036 121.223 0.015 0.000 2.375 12 L HA 0.308 4.663 4.340 0.024 0.000 0.271 12 L C 0.176 177.025 176.870 -0.036 0.000 1.107 12 L CA -0.647 54.182 54.840 -0.020 0.000 0.806 12 L CB 0.672 42.641 42.059 -0.149 0.000 1.146 12 L HN 0.385 nan 8.230 nan 0.000 0.447 13 K N 3.607 123.987 120.400 -0.033 0.000 2.453 13 K HA 0.052 4.387 4.320 0.024 0.000 0.280 13 K C -2.098 174.490 176.600 -0.020 0.000 1.045 13 K CA -1.254 55.014 56.287 -0.031 0.000 1.059 13 K CB -0.003 32.485 32.500 -0.019 0.000 0.901 13 K HN 0.318 nan 8.250 nan 0.000 0.475 14 P HA -0.149 nan 4.420 nan 0.000 0.258 14 P C 0.618 177.921 177.300 0.005 0.000 1.172 14 P CA 0.894 63.992 63.100 -0.003 0.000 0.762 14 P CB 0.673 32.370 31.700 -0.004 0.000 0.764 15 G N 2.512 111.320 108.800 0.013 0.000 2.391 15 G HA2 -0.174 3.800 3.960 0.024 0.000 0.204 15 G HA3 -0.174 3.800 3.960 0.024 0.000 0.204 15 G C 0.113 175.029 174.900 0.025 0.000 1.012 15 G CA -0.390 44.722 45.100 0.020 0.000 0.651 15 G HN 0.428 nan 8.290 nan 0.000 0.494 16 M N 1.237 120.846 119.600 0.016 0.000 2.359 16 M HA 0.547 5.042 4.480 0.024 0.000 0.322 16 M C 0.534 176.843 176.300 0.015 0.000 1.166 16 M CA -0.613 54.697 55.300 0.017 0.000 1.067 16 M CB 1.087 33.690 32.600 0.004 0.000 1.523 16 M HN 0.283 nan 8.290 nan 0.000 0.467 17 D N 0.092 120.519 120.400 0.045 0.000 2.390 17 D HA 0.608 5.263 4.640 0.024 0.000 0.279 17 D C -0.106 176.188 176.300 -0.010 0.000 1.193 17 D CA -0.021 54.041 54.000 0.103 0.000 1.112 17 D CB 1.060 41.984 40.800 0.206 0.000 1.182 17 D HN 0.639 nan 8.370 nan 0.000 0.569 18 G N -0.808 108.083 108.800 0.151 0.000 3.013 18 G HA2 0.552 4.527 3.960 0.024 0.000 0.278 18 G HA3 0.552 4.527 3.960 0.024 0.000 0.278 18 G C -2.592 172.404 174.900 0.160 0.000 1.353 18 G CA -0.991 44.065 45.100 -0.072 0.000 1.043 18 G HN 0.329 nan 8.290 nan 0.000 0.523 19 P HA 0.284 nan 4.420 nan 0.000 0.282 19 P C -1.005 176.481 177.300 0.311 0.000 1.262 19 P CA -0.035 63.191 63.100 0.209 0.000 0.773 19 P CB 1.226 33.035 31.700 0.181 0.000 0.879 20 K N 2.320 122.851 120.400 0.219 0.000 3.237 20 K HA 0.316 4.651 4.320 0.024 0.000 0.197 20 K C -0.540 176.122 176.600 0.102 0.000 1.133 20 K CA -0.511 55.870 56.287 0.158 0.000 0.944 20 K CB 1.341 33.914 32.500 0.123 0.000 0.952 20 K HN 0.224 nan 8.250 nan 0.000 0.515 21 V N 1.088 121.059 119.914 0.095 0.000 2.417 21 V HA 0.301 4.435 4.120 0.024 0.000 0.291 21 V C -0.547 175.571 176.094 0.040 0.000 1.024 21 V CA -0.787 61.556 62.300 0.072 0.000 0.861 21 V CB 1.042 32.913 31.823 0.079 0.000 0.985 21 V HN 0.332 nan 8.190 nan 0.000 0.436 22 K N 4.378 124.805 120.400 0.044 0.000 2.469 22 K HA 0.143 4.477 4.320 0.024 0.000 0.274 22 K C -0.012 176.581 176.600 -0.012 0.000 0.983 22 K CA -0.136 56.166 56.287 0.026 0.000 0.974 22 K CB 0.345 32.874 32.500 0.049 0.000 0.913 22 K HN 0.648 nan 8.250 nan 0.000 0.493 23 Q N 2.825 122.596 119.800 -0.049 0.000 2.288 23 Q HA 0.041 4.395 4.340 0.024 0.000 0.258 23 Q C -1.029 174.955 176.000 -0.027 0.000 0.957 23 Q CA -0.254 55.457 55.803 -0.152 0.000 0.919 23 Q CB 0.524 29.192 28.738 -0.117 0.000 1.185 23 Q HN 0.447 nan 8.270 nan 0.000 0.408 24 W N 5.151 126.496 121.300 0.075 0.000 2.184 24 W HA 0.504 5.179 4.660 0.024 0.000 0.338 24 W C -2.238 174.320 176.519 0.065 0.000 1.257 24 W CA -2.641 54.742 57.345 0.064 0.000 1.243 24 W CB -1.011 28.487 29.460 0.063 0.000 1.122 24 W HN 0.429 nan 8.180 nan 0.000 0.585 25 P HA 0.052 nan 4.420 nan 0.000 0.266 25 P C -0.708 176.782 177.300 0.317 0.000 1.193 25 P CA 0.352 63.603 63.100 0.251 0.000 0.770 25 P CB 0.975 32.767 31.700 0.154 0.000 0.836 26 L N 1.051 122.412 121.223 0.229 0.000 2.301 26 L HA 0.396 4.750 4.340 0.024 0.000 0.264 26 L C 0.716 177.675 176.870 0.148 0.000 1.016 26 L CA -0.947 54.030 54.840 0.229 0.000 0.821 26 L CB 1.690 43.884 42.059 0.226 0.000 1.346 26 L HN 0.239 nan 8.230 nan 0.000 0.429 27 T N 0.203 114.846 114.554 0.148 0.000 2.940 27 T HA -0.001 4.363 4.350 0.024 0.000 0.309 27 T C 0.989 175.743 174.700 0.091 0.000 1.056 27 T CA -0.425 61.742 62.100 0.113 0.000 1.137 27 T CB 0.747 69.696 68.868 0.135 0.000 0.976 27 T HN 0.494 nan 8.240 nan 0.000 0.547 28 E N 1.738 121.977 120.200 0.065 0.000 2.153 28 E HA -0.148 4.217 4.350 0.024 0.000 0.194 28 E C 1.917 178.530 176.600 0.023 0.000 0.988 28 E CA 0.772 57.196 56.400 0.040 0.000 0.811 28 E CB 0.035 29.754 29.700 0.032 0.000 0.746 28 E HN 0.628 nan 8.360 nan 0.000 0.466 29 E N 1.267 121.490 120.200 0.038 0.000 2.112 29 E HA -0.080 4.284 4.350 0.024 0.000 0.190 29 E C 1.752 178.316 176.600 -0.060 0.000 0.979 29 E CA 0.570 56.977 56.400 0.011 0.000 0.814 29 E CB 0.174 29.914 29.700 0.066 0.000 0.762 29 E HN 0.198 nan 8.360 nan 0.000 0.460 30 K N 0.417 120.824 120.400 0.011 0.000 2.057 30 K HA -0.091 4.244 4.320 0.024 0.000 0.207 30 K C 2.334 178.860 176.600 -0.123 0.000 1.049 30 K CA 1.394 57.645 56.287 -0.060 0.000 0.931 30 K CB -0.197 32.429 32.500 0.211 0.000 0.714 30 K HN 0.163 nan 8.250 nan 0.000 0.440 31 I N 1.123 121.673 120.570 -0.033 0.000 2.208 31 I HA -0.285 3.899 4.170 0.024 0.000 0.245 31 I C 2.279 178.340 176.117 -0.094 0.000 1.097 31 I CA 1.199 62.477 61.300 -0.037 0.000 1.363 31 I CB -0.236 37.763 38.000 -0.001 0.000 1.051 31 I HN 0.049 nan 8.210 nan 0.000 0.413 32 K N 1.260 121.593 120.400 -0.112 0.000 2.504 32 K HA 0.040 4.375 4.320 0.024 0.000 0.195 32 K C 1.448 177.925 176.600 -0.205 0.000 1.036 32 K CA 0.901 57.113 56.287 -0.126 0.000 0.984 32 K CB 0.050 32.493 32.500 -0.094 0.000 0.788 32 K HN 0.319 nan 8.250 nan 0.000 0.488 33 A N -0.534 122.086 122.820 -0.334 0.000 2.390 33 A HA 0.249 4.584 4.320 0.024 0.000 0.232 33 A C 1.428 178.745 177.584 -0.445 0.000 1.233 33 A CA -0.246 51.475 52.037 -0.526 0.000 0.907 33 A CB -0.054 18.311 19.000 -1.058 0.000 0.967 33 A HN 0.324 nan 8.150 nan 0.000 0.512 34 L N -1.345 119.717 121.223 -0.267 0.000 2.433 34 L HA 0.120 4.474 4.340 0.024 0.000 0.200 34 L C 1.939 178.737 176.870 -0.120 0.000 1.059 34 L CA 0.629 55.379 54.840 -0.149 0.000 0.835 34 L CB 0.308 42.326 42.059 -0.067 0.000 1.076 34 L HN 0.091 nan 8.230 nan 0.000 0.481 35 V N 0.140 119.988 119.914 -0.110 0.000 2.594 35 V HA -0.258 3.877 4.120 0.024 0.000 0.253 35 V C 2.234 178.264 176.094 -0.107 0.000 1.069 35 V CA 1.934 64.176 62.300 -0.096 0.000 1.082 35 V CB -0.500 31.282 31.823 -0.068 0.000 0.680 35 V HN 0.491 nan 8.190 nan 0.000 0.469 36 E N -0.295 119.832 120.200 -0.122 0.000 2.347 36 E HA -0.147 4.218 4.350 0.024 0.000 0.196 36 E C 1.918 178.450 176.600 -0.114 0.000 1.008 36 E CA 0.740 57.073 56.400 -0.113 0.000 0.852 36 E CB 0.175 29.797 29.700 -0.129 0.000 0.783 36 E HN 0.485 nan 8.360 nan 0.000 0.505 37 I N -0.005 120.487 120.570 -0.129 0.000 2.927 37 I HA -0.129 4.056 4.170 0.024 0.000 0.268 37 I C 2.220 178.235 176.117 -0.170 0.000 1.153 37 I CA 0.370 61.591 61.300 -0.132 0.000 1.459 37 I CB -1.120 36.815 38.000 -0.110 0.000 1.149 37 I HN 0.265 nan 8.210 nan 0.000 0.443 38 C N 1.270 120.456 119.300 -0.189 0.000 2.422 38 C HA -0.137 4.337 4.460 0.024 0.000 0.279 38 C C 3.012 177.829 174.990 -0.289 0.000 1.305 38 C CA 1.670 60.513 59.018 -0.293 0.000 1.757 38 C CB -1.391 26.122 27.740 -0.378 0.000 1.962 38 C HN 0.629 nan 8.230 nan 0.000 0.499 39 T N -1.309 113.140 114.554 -0.174 0.000 2.942 39 T HA -0.093 4.271 4.350 0.024 0.000 0.265 39 T C 1.614 176.265 174.700 -0.081 0.000 1.062 39 T CA 1.100 63.144 62.100 -0.094 0.000 1.139 39 T CB -0.295 68.542 68.868 -0.051 0.000 0.883 39 T HN 0.447 nan 8.240 nan 0.000 0.468 40 E N 1.046 121.188 120.200 -0.097 0.000 2.204 40 E HA 0.066 4.430 4.350 0.024 0.000 0.194 40 E C 2.171 178.716 176.600 -0.093 0.000 0.989 40 E CA 0.577 56.929 56.400 -0.080 0.000 0.824 40 E CB -0.191 29.461 29.700 -0.081 0.000 0.756 40 E HN 0.558 nan 8.360 nan 0.000 0.477 41 L N 0.301 121.439 121.223 -0.142 0.000 2.095 41 L HA -0.090 4.265 4.340 0.024 0.000 0.204 41 L C 2.568 179.387 176.870 -0.085 0.000 1.080 41 L CA 0.925 55.673 54.840 -0.153 0.000 0.759 41 L CB -0.315 41.593 42.059 -0.251 0.000 0.914 41 L HN 0.079 nan 8.230 nan 0.000 0.439 42 E N 0.723 120.873 120.200 -0.084 0.000 2.204 42 E HA -0.275 4.090 4.350 0.024 0.000 0.195 42 E C 2.147 178.755 176.600 0.014 0.000 0.990 42 E CA 1.033 57.432 56.400 -0.000 0.000 0.821 42 E CB 0.171 29.915 29.700 0.072 0.000 0.750 42 E HN 0.295 nan 8.360 nan 0.000 0.477 43 K N 0.505 120.899 120.400 -0.008 0.000 2.103 43 K HA -0.131 4.204 4.320 0.024 0.000 0.204 43 K C 1.477 178.078 176.600 0.003 0.000 1.052 43 K CA 1.407 57.692 56.287 -0.003 0.000 0.945 43 K CB 0.137 32.629 32.500 -0.014 0.000 0.722 43 K HN 0.102 nan 8.250 nan 0.000 0.443 44 E N -1.074 119.126 120.200 -0.000 0.000 2.489 44 E HA 0.044 4.408 4.350 0.024 0.000 0.193 44 E C 0.591 177.212 176.600 0.036 0.000 1.057 44 E CA 0.400 56.809 56.400 0.015 0.000 0.866 44 E CB 0.496 30.204 29.700 0.015 0.000 0.916 44 E HN 0.595 nan 8.360 nan 0.000 0.500 45 G N 1.777 110.599 108.800 0.036 0.000 2.157 45 G HA2 -0.276 3.698 3.960 0.024 0.000 0.248 45 G HA3 -0.276 3.698 3.960 0.024 0.000 0.248 45 G C 0.995 175.942 174.900 0.078 0.000 0.979 45 G CA 0.391 45.525 45.100 0.055 0.000 0.650 45 G HN 0.088 nan 8.290 nan 0.000 0.529 46 K N -0.116 120.326 120.400 0.070 0.000 2.155 46 K HA 0.157 4.491 4.320 0.024 0.000 0.203 46 K C 1.591 178.258 176.600 0.112 0.000 1.052 46 K CA 1.606 57.961 56.287 0.114 0.000 0.948 46 K CB -0.005 32.544 32.500 0.080 0.000 0.728 46 K HN 0.925 nan 8.250 nan 0.000 0.448 47 I N -2.437 118.166 120.570 0.055 0.000 3.042 47 I HA 0.413 4.597 4.170 0.024 0.000 0.310 47 I C -0.965 175.226 176.117 0.122 0.000 1.117 47 I CA -1.056 60.284 61.300 0.067 0.000 1.003 47 I CB 2.647 40.616 38.000 -0.052 0.000 1.228 47 I HN -0.128 nan 8.210 nan 0.000 0.443 48 S N 1.625 117.430 115.700 0.174 0.000 2.572 48 S HA 0.459 4.944 4.470 0.024 0.000 0.274 48 S C -0.794 173.865 174.600 0.099 0.000 1.150 48 S CA -1.117 57.170 58.200 0.144 0.000 0.944 48 S CB 1.377 64.621 63.200 0.073 0.000 1.071 48 S HN 0.915 nan 8.310 nan 0.000 0.479 49 K N 2.554 122.907 120.400 -0.077 0.000 2.336 49 K HA 0.538 4.872 4.320 0.024 0.000 0.262 49 K C 0.118 176.599 176.600 -0.198 0.000 0.992 49 K CA -0.515 55.540 56.287 -0.387 0.000 0.927 49 K CB 0.004 32.159 32.500 -0.575 0.000 0.956 49 K HN 0.782 nan 8.250 nan 0.000 0.495 50 I N -2.837 117.605 120.570 -0.214 0.000 3.457 50 I HA 0.599 4.783 4.170 0.024 0.000 0.307 50 I C 0.128 176.164 176.117 -0.136 0.000 1.138 50 I CA -1.594 59.628 61.300 -0.130 0.000 0.974 50 I CB 1.633 39.582 38.000 -0.085 0.000 1.324 50 I HN 0.710 nan 8.210 nan 0.000 0.485 51 G N -0.027 108.712 108.800 -0.101 0.000 2.753 51 G HA2 0.578 4.552 3.960 0.024 0.000 0.285 51 G HA3 0.578 4.552 3.960 0.024 0.000 0.285 51 G C -2.020 172.826 174.900 -0.090 0.000 1.344 51 G CA -1.117 43.926 45.100 -0.094 0.000 1.050 51 G HN 0.568 nan 8.290 nan 0.000 0.532 52 P HA -0.005 nan 4.420 nan 0.000 0.237 52 P C 0.881 178.130 177.300 -0.085 0.000 1.178 52 P CA 0.675 63.727 63.100 -0.081 0.000 0.766 52 P CB 0.443 32.101 31.700 -0.070 0.000 0.876 53 E N 0.601 120.753 120.200 -0.080 0.000 2.478 53 E HA -0.097 4.268 4.350 0.024 0.000 0.198 53 E C 0.221 176.755 176.600 -0.110 0.000 1.046 53 E CA -0.017 56.334 56.400 -0.083 0.000 0.870 53 E CB -0.341 29.321 29.700 -0.064 0.000 0.818 53 E HN 0.185 nan 8.360 nan 0.000 0.527 54 N N 1.194 119.827 118.700 -0.111 0.000 2.500 54 N HA 0.095 4.849 4.740 0.024 0.000 0.236 54 N C -2.026 173.365 175.510 -0.199 0.000 1.022 54 N CA -1.459 51.515 53.050 -0.126 0.000 0.935 54 N CB 1.237 39.696 38.487 -0.048 0.000 1.147 54 N HN -0.012 nan 8.380 nan 0.000 0.512 55 P HA 0.052 nan 4.420 nan 0.000 0.256 55 P C -1.105 175.935 177.300 -0.434 0.000 1.384 55 P CA 0.133 62.987 63.100 -0.409 0.000 0.879 55 P CB -0.058 31.379 31.700 -0.438 0.000 1.403 56 Y N 0.381 120.680 120.300 -0.000 0.000 2.360 56 Y HA 0.592 5.156 4.550 0.024 0.000 0.337 56 Y C 0.697 176.619 175.900 0.038 0.000 1.039 56 Y CA -1.046 57.075 58.100 0.035 0.000 1.109 56 Y CB 1.142 39.631 38.460 0.048 0.000 1.201 56 Y HN -0.125 nan 8.280 nan 0.000 0.458 57 N N 0.548 119.370 118.700 0.203 0.000 2.277 57 N HA 0.592 5.346 4.740 0.024 0.000 0.286 57 N C -1.815 173.756 175.510 0.102 0.000 1.140 57 N CA -0.549 52.575 53.050 0.123 0.000 0.799 57 N CB 2.235 40.754 38.487 0.052 0.000 1.596 57 N HN 0.619 nan 8.380 nan 0.000 0.473 58 T N 2.154 116.736 114.554 0.047 0.000 3.293 58 T HA 0.387 4.751 4.350 0.024 0.000 0.320 58 T C -2.853 171.712 174.700 -0.225 0.000 0.995 58 T CA -0.712 61.341 62.100 -0.077 0.000 1.041 58 T CB 1.993 70.809 68.868 -0.086 0.000 1.058 58 T HN 0.294 nan 8.240 nan 0.000 0.453 59 P HA 0.127 nan 4.420 nan 0.000 0.267 59 P C -0.524 176.458 177.300 -0.529 0.000 1.175 59 P CA -0.136 62.602 63.100 -0.603 0.000 0.763 59 P CB 0.390 31.425 31.700 -1.108 0.000 0.795 60 V N -0.020 119.623 119.914 -0.451 0.000 3.087 60 V HA 0.832 4.966 4.120 0.024 0.000 0.306 60 V C -0.744 175.282 176.094 -0.113 0.000 1.187 60 V CA -0.728 61.329 62.300 -0.404 0.000 0.999 60 V CB 1.794 33.462 31.823 -0.258 0.000 1.049 60 V HN 0.560 nan 8.190 nan 0.000 0.431 61 F N 0.697 120.678 119.950 0.052 0.000 3.585 61 F HA 1.111 5.652 4.527 0.024 0.000 0.307 61 F C -0.046 175.865 175.800 0.185 0.000 1.405 61 F CA -0.826 57.276 58.000 0.170 0.000 0.986 61 F CB 0.577 39.732 39.000 0.258 0.000 1.695 61 F HN 1.236 nan 8.300 nan 0.000 0.470 62 A N 0.069 123.252 122.820 0.605 0.000 2.583 62 A HA 0.706 5.040 4.320 0.024 0.000 0.292 62 A C -2.108 175.739 177.584 0.438 0.000 1.045 62 A CA -0.502 51.841 52.037 0.510 0.000 0.672 62 A CB 1.517 20.875 19.000 0.596 0.000 1.283 62 A HN 1.031 nan 8.150 nan 0.000 0.419 63 I N 0.577 121.297 120.570 0.251 0.000 2.753 63 I HA 0.267 4.452 4.170 0.024 0.000 0.291 63 I C -0.774 175.148 176.117 -0.325 0.000 1.425 63 I CA -0.586 60.648 61.300 -0.110 0.000 1.039 63 I CB 2.156 40.158 38.000 0.005 0.000 1.349 63 I HN 0.881 nan 8.210 nan 0.000 0.430 64 K N 5.356 125.326 120.400 -0.717 0.000 2.414 64 K HA 0.140 4.474 4.320 0.024 0.000 0.272 64 K C 0.040 176.486 176.600 -0.258 0.000 0.993 64 K CA -0.075 55.824 56.287 -0.648 0.000 0.964 64 K CB 0.760 32.860 32.500 -0.667 0.000 0.925 64 K HN 0.424 nan 8.250 nan 0.000 0.487 65 K N 1.521 121.833 120.400 -0.146 0.000 2.462 65 K HA 0.031 4.366 4.320 0.024 0.000 0.257 65 K C 0.981 177.536 176.600 -0.074 0.000 1.062 65 K CA -0.166 56.081 56.287 -0.065 0.000 0.923 65 K CB 0.236 32.729 32.500 -0.012 0.000 1.210 65 K HN 0.341 nan 8.250 nan 0.000 0.502 66 K N 0.914 121.284 120.400 -0.049 0.000 2.555 66 K HA -0.041 4.294 4.320 0.024 0.000 0.193 66 K C 1.062 177.640 176.600 -0.036 0.000 1.032 66 K CA 0.540 56.797 56.287 -0.048 0.000 1.004 66 K CB 0.065 32.540 32.500 -0.042 0.000 0.804 66 K HN 0.342 nan 8.250 nan 0.000 0.496 67 N N -0.824 117.860 118.700 -0.028 0.000 2.436 67 N HA 0.010 4.764 4.740 0.024 0.000 0.178 67 N C 0.439 175.938 175.510 -0.020 0.000 1.026 67 N CA 0.492 53.535 53.050 -0.011 0.000 0.880 67 N CB 0.917 39.410 38.487 0.010 0.000 1.061 67 N HN -0.128 nan 8.380 nan 0.000 0.434 68 S N -2.037 113.637 115.700 -0.043 0.000 1.732 68 S HA -0.112 4.372 4.470 0.024 0.000 0.248 68 S C 1.237 175.832 174.600 -0.008 0.000 1.076 68 S CA 1.073 59.235 58.200 -0.062 0.000 1.222 68 S CB -1.293 61.886 63.200 -0.035 0.000 1.485 68 S HN 0.340 nan 8.310 nan 0.000 0.552 69 T N 1.929 116.508 114.554 0.040 0.000 2.739 69 T HA 0.135 4.499 4.350 0.024 0.000 0.246 69 T C 0.888 175.705 174.700 0.196 0.000 1.058 69 T CA 0.726 62.891 62.100 0.108 0.000 1.184 69 T CB -0.020 68.900 68.868 0.086 0.000 0.887 69 T HN 0.343 nan 8.240 nan 0.000 0.408 70 R N -0.029 120.566 120.500 0.159 0.000 2.539 70 R HA 0.236 4.591 4.340 0.024 0.000 0.275 70 R C -0.789 175.673 176.300 0.269 0.000 1.077 70 R CA -0.336 55.900 56.100 0.227 0.000 1.097 70 R CB 0.452 30.838 30.300 0.144 0.000 1.018 70 R HN 0.286 nan 8.270 nan 0.000 0.483 71 W N 0.894 122.217 121.300 0.038 0.000 2.365 71 W HA 0.473 5.147 4.660 0.024 0.000 0.410 71 W C 0.009 176.566 176.519 0.064 0.000 1.634 71 W CA -0.511 56.864 57.345 0.050 0.000 1.761 71 W CB 0.517 30.005 29.460 0.047 0.000 1.485 71 W HN 0.287 nan 8.180 nan 0.000 0.706 72 R N 1.718 122.415 120.500 0.329 0.000 2.502 72 R HA 0.303 4.657 4.340 0.024 0.000 0.298 72 R C -1.092 175.357 176.300 0.249 0.000 1.018 72 R CA -0.869 55.376 56.100 0.242 0.000 0.899 72 R CB 0.961 31.356 30.300 0.158 0.000 1.181 72 R HN 0.200 nan 8.270 nan 0.000 0.444 73 K N 5.554 126.092 120.400 0.231 0.000 2.278 73 K HA 0.223 4.558 4.320 0.024 0.000 0.289 73 K C -1.227 175.421 176.600 0.081 0.000 1.080 73 K CA 0.037 56.417 56.287 0.155 0.000 0.934 73 K CB 0.169 32.757 32.500 0.146 0.000 1.093 73 K HN 0.488 nan 8.250 nan 0.000 0.459 74 L N 4.529 125.683 121.223 -0.116 0.000 2.325 74 L HA 0.558 4.913 4.340 0.024 0.000 0.278 74 L C -0.600 175.733 176.870 -0.896 0.000 1.023 74 L CA -1.335 53.286 54.840 -0.364 0.000 0.811 74 L CB 1.854 43.825 42.059 -0.146 0.000 1.249 74 L HN 0.264 nan 8.230 nan 0.000 0.431 75 V N 0.295 119.810 119.914 -0.665 0.000 2.715 75 V HA 0.299 4.434 4.120 0.024 0.000 0.310 75 V C -0.844 174.910 176.094 -0.566 0.000 1.054 75 V CA -0.599 61.239 62.300 -0.770 0.000 0.928 75 V CB 2.157 33.519 31.823 -0.769 0.000 1.007 75 V HN 0.708 nan 8.190 nan 0.000 0.437 76 D N 1.488 121.610 120.400 -0.463 0.000 2.505 76 D HA 0.362 5.016 4.640 0.024 0.000 0.242 76 D C -0.034 176.180 176.300 -0.144 0.000 1.136 76 D CA -0.231 53.736 54.000 -0.056 0.000 0.954 76 D CB 0.092 41.059 40.800 0.277 0.000 1.002 76 D HN 0.399 nan 8.370 nan 0.000 0.512 77 F N 1.468 121.455 119.950 0.061 0.000 2.696 77 F HA 0.246 4.788 4.527 0.024 0.000 0.296 77 F C 2.027 177.896 175.800 0.114 0.000 1.181 77 F CA -0.376 57.665 58.000 0.070 0.000 1.411 77 F CB 0.122 39.164 39.000 0.071 0.000 1.014 77 F HN 0.205 nan 8.300 nan 0.000 0.512 78 R N 0.271 120.919 120.500 0.248 0.000 2.211 78 R HA -0.216 4.138 4.340 0.024 0.000 0.240 78 R C 1.858 178.267 176.300 0.180 0.000 1.144 78 R CA 1.306 57.527 56.100 0.202 0.000 0.992 78 R CB -0.123 30.283 30.300 0.176 0.000 0.869 78 R HN 0.194 nan 8.270 nan 0.000 0.462 79 E N -0.247 120.063 120.200 0.183 0.000 2.447 79 E HA -0.032 4.332 4.350 0.024 0.000 0.195 79 E C 1.280 177.971 176.600 0.152 0.000 1.028 79 E CA 0.174 56.664 56.400 0.150 0.000 0.876 79 E CB 0.207 29.988 29.700 0.135 0.000 0.885 79 E HN 0.124 nan 8.360 nan 0.000 0.500 80 L N 0.412 121.760 121.223 0.209 0.000 2.130 80 L HA 0.073 4.427 4.340 0.024 0.000 0.200 80 L C 1.275 178.273 176.870 0.214 0.000 1.075 80 L CA 1.362 56.308 54.840 0.177 0.000 0.768 80 L CB -0.638 41.532 42.059 0.186 0.000 0.933 80 L HN 0.051 nan 8.230 nan 0.000 0.451 81 N N 0.474 119.339 118.700 0.275 0.000 2.247 81 N HA -0.292 4.463 4.740 0.024 0.000 0.189 81 N C 1.637 177.240 175.510 0.156 0.000 1.009 81 N CA 1.490 54.688 53.050 0.246 0.000 0.872 81 N CB -0.427 38.174 38.487 0.191 0.000 0.980 81 N HN 0.458 nan 8.380 nan 0.000 0.436 82 K N 0.657 121.134 120.400 0.127 0.000 2.459 82 K HA 0.104 4.439 4.320 0.024 0.000 0.193 82 K C 1.115 177.756 176.600 0.068 0.000 1.030 82 K CA 0.359 56.697 56.287 0.084 0.000 1.026 82 K CB 0.281 32.827 32.500 0.077 0.000 0.809 82 K HN 0.058 nan 8.250 nan 0.000 0.504 83 R N -0.721 119.829 120.500 0.082 0.000 2.476 83 R HA 0.126 4.480 4.340 0.024 0.000 0.276 83 R C -0.512 175.826 176.300 0.063 0.000 0.941 83 R CA -0.013 56.112 56.100 0.042 0.000 1.088 83 R CB 1.412 31.710 30.300 -0.003 0.000 1.216 83 R HN -0.076 nan 8.270 nan 0.000 0.533 84 T N 2.392 117.039 114.554 0.156 0.000 2.795 84 T HA 0.105 4.469 4.350 0.024 0.000 0.282 84 T C -0.401 174.301 174.700 0.004 0.000 0.980 84 T CA -0.689 61.545 62.100 0.223 0.000 1.012 84 T CB 1.483 70.743 68.868 0.653 0.000 0.936 84 T HN 0.213 nan 8.240 nan 0.000 0.457 85 Q N 2.543 122.239 119.800 -0.173 0.000 2.394 85 Q HA -0.090 4.265 4.340 0.024 0.000 0.347 85 Q C -0.855 174.841 176.000 -0.507 0.000 1.144 85 Q CA 0.283 55.875 55.803 -0.351 0.000 1.050 85 Q CB 0.289 28.741 28.738 -0.477 0.000 1.188 85 Q HN 0.471 nan 8.270 nan 0.000 0.406 86 D N 3.460 123.685 120.400 -0.291 0.000 2.416 86 D HA 0.103 4.758 4.640 0.024 0.000 0.240 86 D C -0.352 175.843 176.300 -0.176 0.000 1.250 86 D CA 0.190 54.089 54.000 -0.170 0.000 0.967 86 D CB -0.068 40.689 40.800 -0.071 0.000 1.059 86 D HN 0.314 nan 8.370 nan 0.000 0.512 87 F N 0.594 120.466 119.950 -0.131 0.000 2.527 87 F HA 0.148 4.689 4.527 0.024 0.000 0.316 87 F C 0.832 176.617 175.800 -0.024 0.000 1.258 87 F CA -0.460 57.482 58.000 -0.097 0.000 1.314 87 F CB 0.416 39.289 39.000 -0.212 0.000 1.200 87 F HN 0.287 nan 8.300 nan 0.000 0.577 88 W N 1.663 123.027 121.300 0.107 0.000 2.471 88 W HA 0.340 5.014 4.660 0.023 0.000 0.318 88 W C -0.709 175.821 176.519 0.017 0.000 1.034 88 W CA -0.773 56.592 57.345 0.034 0.000 1.224 88 W CB 0.741 30.207 29.460 0.010 0.000 1.335 88 W HN 0.310 nan 8.180 nan 0.000 0.452 89 E N 2.921 122.973 120.200 -0.247 0.000 2.415 89 E HA 0.014 4.378 4.350 0.024 0.000 0.262 89 E C 0.464 177.118 176.600 0.090 0.000 1.038 89 E CA 0.115 56.422 56.400 -0.155 0.000 0.921 89 E CB 1.457 30.980 29.700 -0.294 0.000 0.950 89 E HN 0.434 nan 8.360 nan 0.000 0.438 90 V N 1.219 121.193 119.914 0.099 0.000 3.661 90 V HA -0.039 4.095 4.120 0.024 0.000 0.271 90 V C 0.718 176.876 176.094 0.106 0.000 1.315 90 V CA 0.128 62.527 62.300 0.166 0.000 1.072 90 V CB 0.081 31.963 31.823 0.099 0.000 0.830 90 V HN 0.475 nan 8.190 nan 0.000 0.443 91 Q N 1.153 120.981 119.800 0.047 0.000 2.286 91 Q HA 0.547 4.902 4.340 0.024 0.000 0.257 91 Q C -0.784 175.258 176.000 0.070 0.000 0.941 91 Q CA 0.367 56.205 55.803 0.058 0.000 0.912 91 Q CB 1.044 29.797 28.738 0.026 0.000 1.192 91 Q HN 0.443 nan 8.270 nan 0.000 0.410 92 L N 1.623 122.909 121.223 0.106 0.000 2.216 92 L HA 0.711 5.066 4.340 0.024 0.000 0.260 92 L C 0.473 177.401 176.870 0.096 0.000 1.036 92 L CA -1.452 53.442 54.840 0.091 0.000 0.914 92 L CB 0.741 42.858 42.059 0.096 0.000 1.501 92 L HN 0.828 nan 8.230 nan 0.000 0.485 93 G N 1.134 109.973 108.800 0.065 0.000 2.134 93 G HA2 0.069 4.044 3.960 0.024 0.000 0.253 93 G HA3 0.069 4.044 3.960 0.024 0.000 0.253 93 G C 0.040 174.968 174.900 0.048 0.000 0.960 93 G CA -0.131 44.997 45.100 0.046 0.000 0.922 93 G HN 0.498 nan 8.290 nan 0.000 0.394 94 I N 2.153 122.735 120.570 0.020 0.000 2.872 94 I HA 0.269 4.454 4.170 0.024 0.000 0.291 94 I C -1.784 174.281 176.117 -0.086 0.000 1.216 94 I CA -1.576 59.665 61.300 -0.099 0.000 1.424 94 I CB -0.224 37.653 38.000 -0.205 0.000 1.351 94 I HN 0.216 nan 8.210 nan 0.000 0.592 95 P HA 0.143 nan 4.420 nan 0.000 0.272 95 P C -0.972 176.283 177.300 -0.076 0.000 1.240 95 P CA 0.083 63.176 63.100 -0.011 0.000 0.791 95 P CB 0.339 32.110 31.700 0.118 0.000 0.978 96 H N 1.893 120.851 119.070 -0.187 0.000 2.782 96 H HA 0.179 4.749 4.556 0.024 0.000 0.347 96 H C -2.015 173.077 175.328 -0.392 0.000 1.038 96 H CA -1.959 53.907 56.048 -0.303 0.000 1.255 96 H CB 2.372 31.942 29.762 -0.319 0.000 1.623 96 H HN 0.236 nan 8.280 nan 0.000 0.525 97 P HA -0.056 nan 4.420 nan 0.000 0.236 97 P C 0.702 177.491 177.300 -0.852 0.000 1.172 97 P CA 0.755 63.340 63.100 -0.859 0.000 0.759 97 P CB 0.137 31.075 31.700 -1.270 0.000 0.843 98 A N -0.175 122.388 122.820 -0.429 0.000 2.238 98 A HA 0.339 4.673 4.320 0.024 0.000 0.210 98 A C 2.210 179.976 177.584 0.303 0.000 1.179 98 A CA 0.747 52.737 52.037 -0.079 0.000 0.827 98 A CB -0.868 18.285 19.000 0.254 0.000 0.856 98 A HN 0.292 nan 8.150 nan 0.000 0.488 99 G N -0.622 108.239 108.800 0.101 0.000 3.088 99 G HA2 0.353 4.327 3.960 0.024 0.000 0.217 99 G HA3 0.353 4.327 3.960 0.024 0.000 0.217 99 G C 0.447 175.533 174.900 0.310 0.000 1.159 99 G CA -0.224 45.008 45.100 0.221 0.000 0.760 99 G HN 0.361 nan 8.290 nan 0.000 0.550 100 L N 0.976 122.295 121.223 0.159 0.000 2.397 100 L HA 0.321 4.675 4.340 0.024 0.000 0.271 100 L C 0.194 177.206 176.870 0.236 0.000 1.148 100 L CA -0.268 54.638 54.840 0.110 0.000 0.825 100 L CB 1.156 43.128 42.059 -0.145 0.000 1.117 100 L HN -0.012 nan 8.230 nan 0.000 0.456 101 K N 2.442 122.953 120.400 0.184 0.000 2.110 101 K HA 0.269 4.603 4.320 0.024 0.000 0.263 101 K C -0.351 176.233 176.600 -0.026 0.000 0.975 101 K CA -0.836 55.519 56.287 0.112 0.000 0.895 101 K CB 1.392 33.961 32.500 0.114 0.000 1.060 101 K HN 0.348 nan 8.250 nan 0.000 0.448 102 K N 2.847 123.210 120.400 -0.063 0.000 2.412 102 K HA 0.005 4.339 4.320 0.024 0.000 0.284 102 K C -0.687 175.863 176.600 -0.084 0.000 1.046 102 K CA 0.227 56.435 56.287 -0.132 0.000 0.999 102 K CB 0.424 32.880 32.500 -0.073 0.000 0.941 102 K HN 0.269 nan 8.250 nan 0.000 0.474 103 K N 4.195 124.536 120.400 -0.098 0.000 2.345 103 K HA 0.163 4.498 4.320 0.024 0.000 0.255 103 K C 0.305 176.854 176.600 -0.085 0.000 0.934 103 K CA -0.606 55.642 56.287 -0.066 0.000 0.801 103 K CB 1.714 34.186 32.500 -0.046 0.000 1.137 103 K HN 0.510 nan 8.250 nan 0.000 0.424 104 K N 0.317 120.666 120.400 -0.084 0.000 2.211 104 K HA -0.079 4.256 4.320 0.024 0.000 0.204 104 K C 0.690 177.201 176.600 -0.149 0.000 1.047 104 K CA 0.967 57.195 56.287 -0.099 0.000 0.935 104 K CB 0.166 32.615 32.500 -0.084 0.000 0.728 104 K HN 0.361 nan 8.250 nan 0.000 0.452 105 S N 0.134 115.702 115.700 -0.219 0.000 2.572 105 S HA 0.436 4.921 4.470 0.024 0.000 0.274 105 S C -1.424 173.014 174.600 -0.270 0.000 1.150 105 S CA -0.896 57.088 58.200 -0.360 0.000 0.944 105 S CB 1.516 64.273 63.200 -0.739 0.000 1.071 105 S HN 0.061 nan 8.310 nan 0.000 0.479 106 V N 1.482 121.393 119.914 -0.004 0.000 2.932 106 V HA 0.991 5.125 4.120 0.024 0.000 0.307 106 V C -0.666 175.636 176.094 0.346 0.000 1.147 106 V CA -0.518 61.893 62.300 0.184 0.000 0.951 106 V CB 1.313 33.250 31.823 0.189 0.000 1.031 106 V HN 1.022 nan 8.190 nan 0.000 0.426 107 T N -0.017 114.652 114.554 0.192 0.000 2.894 107 T HA 0.847 5.211 4.350 0.024 0.000 0.309 107 T C -1.104 173.578 174.700 -0.029 0.000 1.208 107 T CA -0.780 61.378 62.100 0.096 0.000 1.016 107 T CB 1.762 70.719 68.868 0.149 0.000 1.192 107 T HN 1.168 nan 8.240 nan 0.000 0.491 108 V N 2.197 122.037 119.914 -0.125 0.000 2.789 108 V HA 0.768 4.903 4.120 0.024 0.000 0.311 108 V C -0.788 175.159 176.094 -0.246 0.000 1.073 108 V CA -0.997 61.194 62.300 -0.182 0.000 0.921 108 V CB 1.464 33.133 31.823 -0.257 0.000 1.009 108 V HN 1.085 nan 8.190 nan 0.000 0.426 109 L N 1.107 122.249 121.223 -0.134 0.000 2.354 109 L HA 0.981 5.335 4.340 0.024 0.000 0.264 109 L C -0.951 175.867 176.870 -0.088 0.000 1.008 109 L CA -0.438 54.330 54.840 -0.121 0.000 0.819 109 L CB 1.858 43.861 42.059 -0.093 0.000 1.339 109 L HN 0.486 nan 8.230 nan 0.000 0.420 110 D N 0.210 120.553 120.400 -0.095 0.000 2.619 110 D HA 0.633 5.287 4.640 0.024 0.000 0.241 110 D C -1.230 175.015 176.300 -0.092 0.000 1.087 110 D CA -0.265 53.692 54.000 -0.072 0.000 0.851 110 D CB 2.538 43.295 40.800 -0.071 0.000 1.474 110 D HN 0.519 nan 8.370 nan 0.000 0.478 111 V N 2.160 122.035 119.914 -0.064 0.000 2.465 111 V HA 0.638 4.772 4.120 0.024 0.000 0.279 111 V C 1.113 177.165 176.094 -0.071 0.000 1.045 111 V CA -0.644 61.615 62.300 -0.068 0.000 0.938 111 V CB 1.379 33.211 31.823 0.016 0.000 0.986 111 V HN 0.655 nan 8.190 nan 0.000 0.467 112 G N 1.895 110.638 108.800 -0.095 0.000 2.353 112 G HA2 0.472 4.446 3.960 0.024 0.000 0.284 112 G HA3 0.472 4.446 3.960 0.024 0.000 0.284 112 G C -0.266 174.679 174.900 0.075 0.000 1.172 112 G CA -0.260 44.827 45.100 -0.022 0.000 0.854 112 G HN 0.905 nan 8.290 nan 0.000 0.485 113 D N 0.387 120.848 120.400 0.101 0.000 2.737 113 D HA -0.189 4.465 4.640 0.024 0.000 0.238 113 D C 1.525 177.922 176.300 0.162 0.000 1.157 113 D CA 1.044 55.187 54.000 0.238 0.000 0.694 113 D CB -0.849 40.170 40.800 0.365 0.000 1.021 113 D HN 0.643 nan 8.370 nan 0.000 0.420 114 A N -0.417 122.367 122.820 -0.061 0.000 1.969 114 A HA -0.184 4.150 4.320 0.024 0.000 0.218 114 A C 1.724 179.180 177.584 -0.213 0.000 1.169 114 A CA 0.975 52.936 52.037 -0.127 0.000 0.635 114 A CB -0.319 18.499 19.000 -0.304 0.000 0.810 114 A HN 0.464 nan 8.150 nan 0.000 0.445 115 Y N -1.236 118.758 120.300 -0.509 0.000 2.439 115 Y HA -0.000 4.564 4.550 0.024 0.000 0.292 115 Y C 0.696 176.356 175.900 -0.401 0.000 1.130 115 Y CA -0.026 57.717 58.100 -0.596 0.000 1.254 115 Y CB -0.492 37.469 38.460 -0.832 0.000 1.000 115 Y HN 0.340 nan 8.280 nan 0.000 0.554 116 F N -0.483 119.574 119.950 0.179 0.000 2.949 116 F HA 0.179 4.720 4.527 0.024 0.000 0.291 116 F C 1.311 177.208 175.800 0.162 0.000 1.214 116 F CA 0.130 58.230 58.000 0.167 0.000 1.381 116 F CB -0.390 38.700 39.000 0.149 0.000 1.066 116 F HN -0.006 nan 8.300 nan 0.000 0.520 117 S N -2.472 113.400 115.700 0.287 0.000 2.800 117 S HA 0.242 4.726 4.470 0.024 0.000 0.266 117 S C -0.358 174.383 174.600 0.234 0.000 1.029 117 S CA -0.225 58.130 58.200 0.258 0.000 1.302 117 S CB -0.242 63.111 63.200 0.255 0.000 1.212 117 S HN -0.118 nan 8.310 nan 0.000 0.683 118 V N 3.783 123.836 119.914 0.231 0.000 2.370 118 V HA 0.518 4.653 4.120 0.024 0.000 0.283 118 V C -2.672 173.520 176.094 0.164 0.000 1.023 118 V CA -2.029 60.392 62.300 0.200 0.000 0.857 118 V CB 1.192 33.160 31.823 0.241 0.000 0.985 118 V HN 0.175 nan 8.190 nan 0.000 0.443 119 P HA 0.063 nan 4.420 nan 0.000 0.262 119 P C -0.371 176.998 177.300 0.114 0.000 1.199 119 P CA -0.077 63.102 63.100 0.131 0.000 0.763 119 P CB 0.440 32.213 31.700 0.121 0.000 0.790 120 L N 3.687 124.977 121.223 0.112 0.000 2.453 120 L HA 0.264 4.618 4.340 0.024 0.000 0.261 120 L C 0.369 177.296 176.870 0.096 0.000 1.179 120 L CA -0.244 54.652 54.840 0.093 0.000 0.813 120 L CB 0.104 42.216 42.059 0.088 0.000 1.110 120 L HN 0.250 nan 8.230 nan 0.000 0.466 121 D N 1.812 122.264 120.400 0.086 0.000 2.488 121 D HA -0.042 4.612 4.640 0.024 0.000 0.238 121 D C 0.982 177.356 176.300 0.123 0.000 1.138 121 D CA 0.606 54.660 54.000 0.089 0.000 0.873 121 D CB 0.748 41.572 40.800 0.039 0.000 1.183 121 D HN 0.682 nan 8.370 nan 0.000 0.458 122 E N 2.210 122.470 120.200 0.101 0.000 2.019 122 E HA -0.209 4.156 4.350 0.024 0.000 0.208 122 E C 0.701 177.364 176.600 0.106 0.000 1.030 122 E CA 1.423 57.880 56.400 0.094 0.000 0.856 122 E CB -0.023 29.721 29.700 0.074 0.000 0.781 122 E HN 0.613 nan 8.360 nan 0.000 0.471 123 D N -0.608 119.864 120.400 0.120 0.000 2.348 123 D HA -0.052 4.602 4.640 0.024 0.000 0.248 123 D C 0.651 177.079 176.300 0.212 0.000 1.142 123 D CA 0.359 54.433 54.000 0.123 0.000 0.904 123 D CB 0.013 40.884 40.800 0.117 0.000 0.901 123 D HN 0.099 nan 8.370 nan 0.000 0.523 124 F N 0.279 120.245 119.950 0.026 0.000 2.746 124 F HA 0.196 4.737 4.527 0.024 0.000 0.313 124 F C 1.787 177.575 175.800 -0.019 0.000 1.095 124 F CA -0.242 57.794 58.000 0.060 0.000 1.224 124 F CB 0.423 39.408 39.000 -0.025 0.000 1.060 124 F HN -0.297 nan 8.300 nan 0.000 0.584 125 R N 1.238 121.751 120.500 0.022 0.000 2.152 125 R HA -0.127 4.228 4.340 0.024 0.000 0.232 125 R C 2.039 178.250 176.300 -0.148 0.000 1.117 125 R CA 1.531 57.604 56.100 -0.045 0.000 0.981 125 R CB -0.441 29.879 30.300 0.034 0.000 0.870 125 R HN 0.327 nan 8.270 nan 0.000 0.451 126 K N -0.604 119.643 120.400 -0.255 0.000 2.519 126 K HA -0.155 4.179 4.320 0.024 0.000 0.196 126 K C 0.277 176.554 176.600 -0.539 0.000 1.041 126 K CA 1.341 57.413 56.287 -0.358 0.000 0.954 126 K CB 0.011 32.241 32.500 -0.450 0.000 0.774 126 K HN 0.287 nan 8.250 nan 0.000 0.480 127 Y N 1.259 121.277 120.300 -0.470 0.000 2.531 127 Y HA 0.105 4.669 4.550 0.024 0.000 0.249 127 Y C 0.992 176.686 175.900 -0.343 0.000 1.168 127 Y CA -0.045 57.674 58.100 -0.635 0.000 1.226 127 Y CB 0.986 38.881 38.460 -0.941 0.000 1.177 127 Y HN 0.188 nan 8.280 nan 0.000 0.527 128 T N -2.350 112.167 114.554 -0.062 0.000 3.269 128 T HA 0.620 4.984 4.350 0.024 0.000 0.269 128 T C 0.468 175.423 174.700 0.425 0.000 0.993 128 T CA -0.383 61.843 62.100 0.211 0.000 0.909 128 T CB -0.320 68.604 68.868 0.092 0.000 1.115 128 T HN 0.158 nan 8.240 nan 0.000 0.543 129 A N 2.228 125.238 122.820 0.317 0.000 2.404 129 A HA 0.618 4.953 4.320 0.024 0.000 0.273 129 A C -0.139 177.651 177.584 0.343 0.000 1.144 129 A CA -0.726 51.490 52.037 0.298 0.000 0.806 129 A CB -0.475 18.627 19.000 0.170 0.000 1.080 129 A HN 0.684 nan 8.150 nan 0.000 0.509 130 F N 0.294 120.269 119.950 0.042 0.000 2.522 130 F HA 0.804 5.345 4.527 0.024 0.000 0.324 130 F C -0.152 175.643 175.800 -0.008 0.000 1.077 130 F CA -1.347 56.635 58.000 -0.030 0.000 0.944 130 F CB 1.121 40.066 39.000 -0.092 0.000 1.175 130 F HN 0.222 nan 8.300 nan 0.000 0.468 131 T N 4.510 119.015 114.554 -0.082 0.000 2.786 131 T HA 0.554 4.919 4.350 0.024 0.000 0.283 131 T C -0.191 174.457 174.700 -0.086 0.000 0.992 131 T CA -0.410 61.613 62.100 -0.127 0.000 0.954 131 T CB 0.718 69.544 68.868 -0.071 0.000 0.934 131 T HN 0.496 nan 8.240 nan 0.000 0.440 132 I N 6.224 126.732 120.570 -0.103 0.000 2.331 132 I HA 0.324 4.509 4.170 0.024 0.000 0.292 132 I C -1.861 174.243 176.117 -0.022 0.000 0.998 132 I CA -2.560 58.715 61.300 -0.042 0.000 1.267 132 I CB 1.429 39.399 38.000 -0.050 0.000 1.386 132 I HN 0.313 nan 8.210 nan 0.000 0.476 133 P HA 0.107 nan 4.420 nan 0.000 0.273 133 P C 0.423 177.720 177.300 -0.004 0.000 1.250 133 P CA -0.235 62.864 63.100 -0.002 0.000 0.793 133 P CB 0.921 32.630 31.700 0.015 0.000 1.011 134 S N 0.938 116.635 115.700 -0.006 0.000 2.407 134 S HA -0.035 4.449 4.470 0.024 0.000 0.192 134 S C 1.481 176.077 174.600 -0.008 0.000 1.169 134 S CA 0.874 59.069 58.200 -0.009 0.000 1.496 134 S CB -0.687 62.507 63.200 -0.011 0.000 0.918 134 S HN 0.443 nan 8.310 nan 0.000 0.388 135 I N 1.305 121.872 120.570 -0.005 0.000 4.676 135 I HA 0.138 4.323 4.170 0.024 0.000 0.306 135 I C 0.430 176.549 176.117 0.003 0.000 1.178 135 I CA 0.633 61.930 61.300 -0.005 0.000 1.335 135 I CB -1.120 36.874 38.000 -0.010 0.000 1.541 135 I HN 0.549 nan 8.210 nan 0.000 0.469 136 N N 0.551 119.252 118.700 0.003 0.000 2.184 136 N HA 0.071 4.826 4.740 0.024 0.000 0.206 136 N C 0.467 175.983 175.510 0.010 0.000 1.151 136 N CA 0.010 53.064 53.050 0.007 0.000 0.878 136 N CB -0.235 38.254 38.487 0.003 0.000 1.014 136 N HN 0.309 nan 8.380 nan 0.000 0.512 137 N N 0.109 118.815 118.700 0.009 0.000 2.783 137 N HA -0.232 4.522 4.740 0.024 0.000 0.247 137 N C 0.111 175.625 175.510 0.006 0.000 1.089 137 N CA 0.671 53.728 53.050 0.011 0.000 0.690 137 N CB -0.678 37.821 38.487 0.021 0.000 0.991 137 N HN 0.686 nan 8.380 nan 0.000 0.552 138 E N -0.440 119.761 120.200 0.001 0.000 2.065 138 E HA 0.003 4.368 4.350 0.024 0.000 0.191 138 E C 0.400 176.997 176.600 -0.006 0.000 0.960 138 E CA 1.343 57.742 56.400 -0.002 0.000 0.824 138 E CB 0.239 29.937 29.700 -0.004 0.000 0.793 138 E HN 0.501 nan 8.360 nan 0.000 0.459 139 T N 0.962 115.510 114.554 -0.010 0.000 2.856 139 T HA 0.457 4.821 4.350 0.024 0.000 0.283 139 T C -2.602 172.086 174.700 -0.019 0.000 1.008 139 T CA -2.054 60.036 62.100 -0.016 0.000 0.997 139 T CB 1.591 70.447 68.868 -0.020 0.000 0.992 139 T HN -0.064 nan 8.240 nan 0.000 0.454 140 P HA 0.204 nan 4.420 nan 0.000 0.265 140 P C 0.703 177.979 177.300 -0.040 0.000 1.193 140 P CA 0.060 63.142 63.100 -0.031 0.000 0.765 140 P CB 0.428 32.105 31.700 -0.037 0.000 0.823 141 G N 2.400 111.177 108.800 -0.038 0.000 2.624 141 G HA2 0.404 4.378 3.960 0.024 0.000 0.217 141 G HA3 0.404 4.378 3.960 0.024 0.000 0.217 141 G C -0.020 174.842 174.900 -0.064 0.000 1.506 141 G CA -0.603 44.474 45.100 -0.038 0.000 1.072 141 G HN 0.431 nan 8.290 nan 0.000 0.568 142 I N -0.058 120.491 120.570 -0.034 0.000 2.834 142 I HA 0.434 4.619 4.170 0.024 0.000 0.305 142 I C 0.400 176.457 176.117 -0.099 0.000 1.008 142 I CA -0.670 60.566 61.300 -0.107 0.000 1.273 142 I CB 1.248 39.279 38.000 0.052 0.000 1.432 142 I HN 0.474 nan 8.210 nan 0.000 0.557 143 R N 4.632 124.928 120.500 -0.342 0.000 2.797 143 R HA 0.338 4.692 4.340 0.024 0.000 0.274 143 R C -2.124 174.023 176.300 -0.255 0.000 1.652 143 R CA -0.523 55.436 56.100 -0.235 0.000 1.175 143 R CB -0.402 29.781 30.300 -0.195 0.000 1.283 143 R HN 0.776 nan 8.270 nan 0.000 0.513 144 Y N 1.252 121.270 120.300 -0.470 0.000 2.534 144 Y HA 0.423 4.987 4.550 0.024 0.000 0.329 144 Y C 0.568 176.362 175.900 -0.176 0.000 1.154 144 Y CA -1.568 56.364 58.100 -0.281 0.000 1.192 144 Y CB 1.466 39.793 38.460 -0.223 0.000 1.275 144 Y HN 0.436 nan 8.280 nan 0.000 0.491 145 Q N -0.139 119.767 119.800 0.176 0.000 2.214 145 Q HA 0.311 4.665 4.340 0.024 0.000 0.251 145 Q C -1.609 174.562 176.000 0.286 0.000 0.936 145 Q CA -0.931 55.015 55.803 0.237 0.000 0.894 145 Q CB 1.202 30.020 28.738 0.134 0.000 1.252 145 Q HN 0.762 nan 8.270 nan 0.000 0.448 146 Y N 2.268 122.739 120.300 0.285 0.000 2.518 146 Y HA -0.033 4.532 4.550 0.024 0.000 0.337 146 Y C 0.977 176.956 175.900 0.131 0.000 1.261 146 Y CA -0.112 58.110 58.100 0.203 0.000 1.856 146 Y CB -0.221 38.309 38.460 0.117 0.000 1.798 146 Y HN 0.846 nan 8.280 nan 0.000 0.440 147 N N 0.886 119.739 118.700 0.255 0.000 2.334 147 N HA -0.158 4.596 4.740 0.024 0.000 0.187 147 N C 0.267 175.901 175.510 0.208 0.000 1.016 147 N CA 1.218 54.383 53.050 0.191 0.000 0.879 147 N CB 0.147 38.723 38.487 0.149 0.000 0.965 147 N HN 0.399 nan 8.380 nan 0.000 0.438 148 V N -2.925 117.164 119.914 0.293 0.000 3.284 148 V HA 0.441 4.575 4.120 0.024 0.000 0.309 148 V C 0.309 176.512 176.094 0.181 0.000 1.190 148 V CA -1.433 61.025 62.300 0.263 0.000 1.038 148 V CB 0.790 32.824 31.823 0.352 0.000 1.198 148 V HN -0.114 nan 8.190 nan 0.000 0.465 149 L N 2.981 124.246 121.223 0.070 0.000 2.584 149 L HA 0.340 4.695 4.340 0.024 0.000 0.272 149 L C -2.007 174.638 176.870 -0.375 0.000 1.195 149 L CA -0.446 54.317 54.840 -0.129 0.000 0.920 149 L CB -0.337 41.644 42.059 -0.130 0.000 1.173 149 L HN 0.629 nan 8.230 nan 0.000 0.489 150 P HA 0.024 nan 4.420 nan 0.000 0.300 150 P C -0.364 176.476 177.300 -0.767 0.000 1.294 150 P CA -0.088 62.496 63.100 -0.860 0.000 0.757 150 P CB 0.360 31.688 31.700 -0.621 0.000 1.377 151 Q N -2.406 117.071 119.800 -0.538 0.000 2.143 151 Q HA 0.267 4.622 4.340 0.024 0.000 0.242 151 Q C 0.754 176.675 176.000 -0.132 0.000 0.790 151 Q CA 0.221 55.813 55.803 -0.351 0.000 0.954 151 Q CB 0.417 29.059 28.738 -0.160 0.000 1.155 151 Q HN 0.568 nan 8.270 nan 0.000 0.474 152 G N -0.140 108.667 108.800 0.011 0.000 4.424 152 G HA2 0.050 4.024 3.960 0.024 0.000 0.287 152 G HA3 0.050 4.024 3.960 0.024 0.000 0.287 152 G C -0.646 174.449 174.900 0.326 0.000 1.023 152 G CA -0.441 44.751 45.100 0.154 0.000 0.790 152 G HN 0.117 nan 8.290 nan 0.000 0.468 153 W N 1.461 122.722 121.300 -0.065 0.000 1.716 153 W HA 0.332 5.007 4.660 0.024 0.000 0.389 153 W C 1.595 178.060 176.519 -0.090 0.000 1.745 153 W CA -0.831 56.411 57.345 -0.171 0.000 1.911 153 W CB 0.889 30.148 29.460 -0.336 0.000 1.416 153 W HN 0.073 nan 8.180 nan 0.000 0.750 154 K N -0.091 120.126 120.400 -0.304 0.000 2.062 154 K HA 0.059 4.394 4.320 0.024 0.000 0.205 154 K C 1.180 177.392 176.600 -0.645 0.000 1.051 154 K CA 1.831 57.857 56.287 -0.435 0.000 0.941 154 K CB -0.628 31.723 32.500 -0.248 0.000 0.719 154 K HN 0.491 nan 8.250 nan 0.000 0.440 155 G N -0.511 107.507 108.800 -1.303 0.000 4.424 155 G HA2 0.088 4.062 3.960 0.024 0.000 0.287 155 G HA3 0.088 4.062 3.960 0.024 0.000 0.287 155 G C 0.324 174.624 174.900 -1.000 0.000 1.023 155 G CA -0.330 44.087 45.100 -1.139 0.000 0.790 155 G HN 0.155 nan 8.290 nan 0.000 0.468 156 S N 1.671 116.958 115.700 -0.688 0.000 2.389 156 S HA -0.140 4.345 4.470 0.024 0.000 0.231 156 S C -0.064 174.381 174.600 -0.258 0.000 1.052 156 S CA 1.828 59.782 58.200 -0.410 0.000 1.053 156 S CB -0.284 62.651 63.200 -0.442 0.000 0.886 156 S HN 0.360 nan 8.310 nan 0.000 0.456 157 P HA 0.156 nan 4.420 nan 0.000 0.222 157 P C 1.377 178.672 177.300 -0.008 0.000 1.153 157 P CA 1.054 64.194 63.100 0.067 0.000 0.798 157 P CB -0.091 31.614 31.700 0.007 0.000 0.796 158 A N -0.016 122.696 122.820 -0.180 0.000 1.902 158 A HA -0.173 4.162 4.320 0.024 0.000 0.217 158 A C 2.054 179.565 177.584 -0.122 0.000 1.181 158 A CA 1.462 53.396 52.037 -0.173 0.000 0.623 158 A CB -1.443 17.384 19.000 -0.287 0.000 0.818 158 A HN 0.025 nan 8.150 nan 0.000 0.443 159 I N -1.604 118.867 120.570 -0.165 0.000 2.233 159 I HA -0.153 4.032 4.170 0.024 0.000 0.243 159 I C 2.353 178.484 176.117 0.023 0.000 1.093 159 I CA 1.231 62.491 61.300 -0.066 0.000 1.380 159 I CB -1.534 36.436 38.000 -0.050 0.000 1.067 159 I HN 0.448 nan 8.210 nan 0.000 0.413 160 F N 2.097 122.022 119.950 -0.042 0.000 2.075 160 F HA -0.261 4.280 4.527 0.024 0.000 0.297 160 F C 2.729 178.500 175.800 -0.048 0.000 1.113 160 F CA 1.842 59.843 58.000 0.002 0.000 1.218 160 F CB -0.463 38.613 39.000 0.126 0.000 0.984 160 F HN 0.063 nan 8.300 nan 0.000 0.472 161 Q N -0.498 119.285 119.800 -0.028 0.000 2.112 161 Q HA -0.235 4.120 4.340 0.024 0.000 0.206 161 Q C 2.517 178.399 176.000 -0.197 0.000 0.987 161 Q CA 2.063 57.775 55.803 -0.152 0.000 0.858 161 Q CB -0.510 28.203 28.738 -0.040 0.000 0.905 161 Q HN 0.439 nan 8.270 nan 0.000 0.420 162 S N -0.453 115.168 115.700 -0.131 0.000 2.355 162 S HA -0.136 4.349 4.470 0.024 0.000 0.222 162 S C 2.019 176.517 174.600 -0.170 0.000 1.031 162 S CA 1.393 59.526 58.200 -0.113 0.000 0.993 162 S CB -0.148 63.017 63.200 -0.058 0.000 0.859 162 S HN 0.328 nan 8.310 nan 0.000 0.453 163 S N 1.247 116.826 115.700 -0.202 0.000 2.382 163 S HA -0.010 4.475 4.470 0.024 0.000 0.228 163 S C 1.860 176.246 174.600 -0.357 0.000 1.027 163 S CA 1.024 59.080 58.200 -0.242 0.000 0.991 163 S CB -0.292 62.793 63.200 -0.192 0.000 0.823 163 S HN 0.413 nan 8.310 nan 0.000 0.469 164 M N 1.373 120.685 119.600 -0.480 0.000 2.374 164 M HA -0.048 4.447 4.480 0.024 0.000 0.264 164 M C 1.814 177.911 176.300 -0.337 0.000 1.067 164 M CA 1.210 56.208 55.300 -0.504 0.000 1.103 164 M CB -1.432 30.749 32.600 -0.699 0.000 1.402 164 M HN 0.288 nan 8.290 nan 0.000 0.444 165 T N -0.138 114.259 114.554 -0.262 0.000 2.851 165 T HA -0.074 4.290 4.350 0.024 0.000 0.262 165 T C 1.812 176.404 174.700 -0.179 0.000 1.043 165 T CA 0.995 62.986 62.100 -0.181 0.000 1.140 165 T CB 0.055 68.847 68.868 -0.126 0.000 0.872 165 T HN 0.365 nan 8.240 nan 0.000 0.446 166 K N 0.580 120.860 120.400 -0.200 0.000 2.097 166 K HA 0.031 4.365 4.320 0.024 0.000 0.206 166 K C 1.980 178.418 176.600 -0.270 0.000 1.049 166 K CA 1.027 57.199 56.287 -0.191 0.000 0.933 166 K CB -0.261 32.130 32.500 -0.182 0.000 0.717 166 K HN 0.246 nan 8.250 nan 0.000 0.442 167 I N 0.671 120.981 120.570 -0.433 0.000 2.546 167 I HA -0.196 3.988 4.170 0.024 0.000 0.255 167 I C 1.716 177.637 176.117 -0.326 0.000 1.163 167 I CA 1.083 62.001 61.300 -0.637 0.000 1.457 167 I CB 0.091 37.595 38.000 -0.827 0.000 1.092 167 I HN 0.074 nan 8.210 nan 0.000 0.434 168 L N -0.423 120.650 121.223 -0.249 0.000 2.529 168 L HA 0.017 4.371 4.340 0.024 0.000 0.223 168 L C 2.296 179.136 176.870 -0.050 0.000 1.113 168 L CA 0.285 55.012 54.840 -0.189 0.000 0.861 168 L CB -0.270 41.673 42.059 -0.193 0.000 1.012 168 L HN 0.244 nan 8.230 nan 0.000 0.461 169 E N 1.290 121.465 120.200 -0.042 0.000 2.049 169 E HA -0.239 4.125 4.350 0.024 0.000 0.198 169 E C -0.621 176.027 176.600 0.081 0.000 1.007 169 E CA 1.614 58.020 56.400 0.011 0.000 0.809 169 E CB -0.531 29.165 29.700 -0.006 0.000 0.749 169 E HN 0.266 nan 8.360 nan 0.000 0.450 170 P HA -0.154 nan 4.420 nan 0.000 0.215 170 P C 1.005 178.445 177.300 0.233 0.000 1.153 170 P CA 1.151 64.381 63.100 0.217 0.000 0.853 170 P CB -0.182 31.733 31.700 0.358 0.000 0.788 171 F N 0.300 120.304 119.950 0.089 0.000 2.407 171 F HA -0.075 4.466 4.527 0.024 0.000 0.299 171 F C 1.770 177.558 175.800 -0.019 0.000 1.097 171 F CA 1.269 59.278 58.000 0.014 0.000 1.422 171 F CB -0.059 38.804 39.000 -0.228 0.000 1.067 171 F HN -0.197 nan 8.300 nan 0.000 0.539 172 K N -0.047 120.451 120.400 0.163 0.000 2.186 172 K HA -0.070 4.264 4.320 0.024 0.000 0.202 172 K C 1.948 178.553 176.600 0.008 0.000 1.052 172 K CA 0.872 57.206 56.287 0.079 0.000 0.965 172 K CB -0.020 32.510 32.500 0.050 0.000 0.746 172 K HN 0.197 nan 8.250 nan 0.000 0.457 173 K N 0.735 121.142 120.400 0.010 0.000 2.026 173 K HA -0.128 4.207 4.320 0.024 0.000 0.208 173 K C 2.171 178.745 176.600 -0.044 0.000 1.048 173 K CA 1.174 57.456 56.287 -0.008 0.000 0.929 173 K CB 0.065 32.572 32.500 0.012 0.000 0.713 173 K HN 0.109 nan 8.250 nan 0.000 0.439 174 Q N 0.493 120.243 119.800 -0.082 0.000 2.123 174 Q HA -0.031 4.323 4.340 0.024 0.000 0.199 174 Q C 0.255 176.150 176.000 -0.174 0.000 0.966 174 Q CA 0.955 56.678 55.803 -0.134 0.000 0.845 174 Q CB -0.086 28.537 28.738 -0.192 0.000 0.907 174 Q HN 0.260 nan 8.270 nan 0.000 0.439 175 N N 1.490 120.059 118.700 -0.218 0.000 2.904 175 N HA 0.175 4.930 4.740 0.024 0.000 0.257 175 N C -2.282 173.188 175.510 -0.067 0.000 1.363 175 N CA -0.991 51.955 53.050 -0.173 0.000 0.856 175 N CB 1.646 39.960 38.487 -0.289 0.000 1.166 175 N HN 0.095 nan 8.380 nan 0.000 0.499 176 P HA 0.135 nan 4.420 nan 0.000 0.266 176 P C -0.037 177.256 177.300 -0.012 0.000 1.381 176 P CA 0.179 63.268 63.100 -0.019 0.000 0.940 176 P CB 0.492 32.180 31.700 -0.019 0.000 1.435 177 D N -0.032 120.359 120.400 -0.015 0.000 2.389 177 D HA 0.037 4.692 4.640 0.024 0.000 0.206 177 D C 0.883 177.185 176.300 0.004 0.000 1.055 177 D CA -0.011 53.985 54.000 -0.006 0.000 0.856 177 D CB -0.145 40.649 40.800 -0.010 0.000 0.957 177 D HN 0.209 nan 8.370 nan 0.000 0.509 178 I N -0.578 119.996 120.570 0.006 0.000 2.498 178 I HA 0.403 4.587 4.170 0.024 0.000 0.301 178 I C -0.175 175.944 176.117 0.002 0.000 0.984 178 I CA -1.526 59.782 61.300 0.013 0.000 1.204 178 I CB 1.706 39.722 38.000 0.026 0.000 1.362 178 I HN -0.337 nan 8.210 nan 0.000 0.471 179 V N 5.909 125.812 119.914 -0.018 0.000 2.498 179 V HA 0.401 4.535 4.120 0.024 0.000 0.279 179 V C -0.191 175.869 176.094 -0.057 0.000 1.048 179 V CA -0.245 62.042 62.300 -0.022 0.000 0.967 179 V CB 0.949 32.787 31.823 0.025 0.000 0.988 179 V HN 0.639 nan 8.190 nan 0.000 0.473 180 I N 5.881 126.420 120.570 -0.051 0.000 2.468 180 I HA 0.425 4.610 4.170 0.024 0.000 0.284 180 I C -1.313 174.777 176.117 -0.045 0.000 1.038 180 I CA -1.355 59.925 61.300 -0.034 0.000 1.083 180 I CB 1.319 39.290 38.000 -0.049 0.000 1.223 180 I HN 0.551 nan 8.210 nan 0.000 0.443 181 Y N 6.440 126.829 120.300 0.149 0.000 2.854 181 Y HA 0.385 4.950 4.550 0.024 0.000 0.330 181 Y C 0.191 176.256 175.900 0.275 0.000 1.037 181 Y CA -0.597 57.655 58.100 0.254 0.000 1.263 181 Y CB 0.870 39.559 38.460 0.381 0.000 1.120 181 Y HN 0.508 nan 8.280 nan 0.000 0.532 182 Q N 1.883 121.831 119.800 0.247 0.000 2.361 182 Q HA 0.249 4.603 4.340 0.024 0.000 0.250 182 Q C -1.583 174.575 176.000 0.263 0.000 1.023 182 Q CA -0.616 55.306 55.803 0.199 0.000 0.915 182 Q CB 0.718 29.480 28.738 0.040 0.000 1.238 182 Q HN 0.560 nan 8.270 nan 0.000 0.451 183 Y N 6.340 126.742 120.300 0.170 0.000 2.345 183 Y HA 0.340 4.904 4.550 0.024 0.000 0.331 183 Y C 0.219 176.171 175.900 0.087 0.000 0.959 183 Y CA -0.780 57.387 58.100 0.112 0.000 1.204 183 Y CB 0.644 39.152 38.460 0.081 0.000 1.135 183 Y HN 0.895 nan 8.280 nan 0.000 0.477 184 M N 1.616 121.063 119.600 -0.256 0.000 7.319 184 M HA -0.361 4.133 4.480 0.024 0.000 0.321 184 M C 1.016 177.445 176.300 0.214 0.000 0.480 184 M CA 2.373 57.639 55.300 -0.058 0.000 1.311 184 M CB -1.418 31.008 32.600 -0.290 0.000 0.421 184 M HN 0.788 nan 8.290 nan 0.000 0.817 185 D N -0.070 120.423 120.400 0.155 0.000 2.349 185 D HA 0.160 4.815 4.640 0.024 0.000 0.214 185 D C -0.047 176.299 176.300 0.077 0.000 1.063 185 D CA 0.226 54.338 54.000 0.187 0.000 0.847 185 D CB -0.240 40.608 40.800 0.080 0.000 0.933 185 D HN 0.503 nan 8.370 nan 0.000 0.513 186 D N 0.950 121.401 120.400 0.085 0.000 2.233 186 D HA 0.410 5.064 4.640 0.024 0.000 0.240 186 D C -0.495 175.934 176.300 0.215 0.000 1.074 186 D CA -0.597 53.477 54.000 0.124 0.000 0.838 186 D CB 0.967 41.845 40.800 0.131 0.000 1.124 186 D HN 0.173 nan 8.370 nan 0.000 0.475 187 L N 1.767 123.104 121.223 0.189 0.000 2.408 187 L HA 0.565 4.919 4.340 0.024 0.000 0.268 187 L C -1.193 175.827 176.870 0.250 0.000 0.986 187 L CA -1.420 53.560 54.840 0.232 0.000 0.820 187 L CB 1.623 43.733 42.059 0.085 0.000 1.303 187 L HN 0.320 nan 8.230 nan 0.000 0.411 188 Y N 3.332 123.728 120.300 0.160 0.000 2.367 188 Y HA 0.718 5.282 4.550 0.024 0.000 0.342 188 Y C -0.989 174.908 175.900 -0.006 0.000 0.979 188 Y CA -0.653 57.420 58.100 -0.045 0.000 1.161 188 Y CB 1.412 39.644 38.460 -0.380 0.000 1.155 188 Y HN 0.502 nan 8.280 nan 0.000 0.503 189 V N 5.627 125.302 119.914 -0.399 0.000 2.581 189 V HA 0.936 5.070 4.120 0.024 0.000 0.303 189 V C 0.109 175.905 176.094 -0.496 0.000 1.041 189 V CA -0.200 61.867 62.300 -0.388 0.000 0.907 189 V CB 1.348 33.047 31.823 -0.208 0.000 0.994 189 V HN 1.035 nan 8.190 nan 0.000 0.442 190 G N 1.640 110.249 108.800 -0.318 0.000 2.402 190 G HA2 0.525 4.499 3.960 0.024 0.000 0.301 190 G HA3 0.525 4.499 3.960 0.024 0.000 0.301 190 G C -1.230 173.671 174.900 0.002 0.000 1.615 190 G CA 0.110 45.152 45.100 -0.097 0.000 0.889 190 G HN 0.875 nan 8.290 nan 0.000 0.647 191 S N -1.035 114.757 115.700 0.154 0.000 2.643 191 S HA 0.557 5.041 4.470 0.024 0.000 0.270 191 S C -0.962 173.651 174.600 0.022 0.000 1.166 191 S CA -0.546 57.700 58.200 0.076 0.000 0.815 191 S CB 1.760 65.019 63.200 0.098 0.000 1.139 191 S HN 0.464 nan 8.310 nan 0.000 0.472 192 D N 1.823 122.226 120.400 0.006 0.000 2.504 192 D HA 0.204 4.858 4.640 0.024 0.000 0.243 192 D C 0.649 176.942 176.300 -0.013 0.000 1.203 192 D CA 0.186 54.174 54.000 -0.020 0.000 0.847 192 D CB -0.119 40.672 40.800 -0.016 0.000 0.973 192 D HN 0.276 nan 8.370 nan 0.000 0.490 193 L N -0.054 121.176 121.223 0.010 0.000 2.977 193 L HA 0.206 4.560 4.340 0.024 0.000 0.175 193 L C 0.787 177.647 176.870 -0.016 0.000 1.360 193 L CA -0.281 54.580 54.840 0.034 0.000 1.392 193 L CB 0.605 42.748 42.059 0.141 0.000 2.342 193 L HN -0.147 nan 8.230 nan 0.000 0.524 194 E N -0.479 119.731 120.200 0.017 0.000 2.369 194 E HA 0.250 4.614 4.350 0.024 0.000 0.270 194 E C 0.964 177.584 176.600 0.033 0.000 0.909 194 E CA -0.606 55.790 56.400 -0.006 0.000 0.775 194 E CB 2.022 31.726 29.700 0.005 0.000 1.270 194 E HN 0.411 nan 8.360 nan 0.000 0.445 195 I N 0.741 121.316 120.570 0.007 0.000 2.121 195 I HA -0.363 3.822 4.170 0.024 0.000 0.243 195 I C 1.968 178.136 176.117 0.086 0.000 1.047 195 I CA 2.276 63.602 61.300 0.044 0.000 1.308 195 I CB -0.933 37.079 38.000 0.021 0.000 1.015 195 I HN 0.658 nan 8.210 nan 0.000 0.410 196 G N 0.426 109.263 108.800 0.062 0.000 2.552 196 G HA2 -0.283 3.691 3.960 0.024 0.000 0.216 196 G HA3 -0.283 3.691 3.960 0.024 0.000 0.216 196 G C 1.462 176.407 174.900 0.073 0.000 1.240 196 G CA 0.899 46.034 45.100 0.059 0.000 0.796 196 G HN 0.416 nan 8.290 nan 0.000 0.568 197 Q N -0.677 119.167 119.800 0.073 0.000 2.170 197 Q HA -0.020 4.334 4.340 0.024 0.000 0.203 197 Q C 2.158 178.215 176.000 0.094 0.000 0.976 197 Q CA 1.444 57.288 55.803 0.069 0.000 0.858 197 Q CB -0.379 28.393 28.738 0.056 0.000 0.907 197 Q HN 0.759 nan 8.270 nan 0.000 0.433 198 H N 0.719 119.803 119.070 0.024 0.000 2.256 198 H HA 0.016 4.587 4.556 0.024 0.000 0.299 198 H C 1.810 177.161 175.328 0.039 0.000 1.071 198 H CA 1.740 57.804 56.048 0.027 0.000 1.280 198 H CB 0.185 29.959 29.762 0.020 0.000 1.370 198 H HN 0.030 nan 8.280 nan 0.000 0.490 199 R N -0.777 119.815 120.500 0.153 0.000 2.170 199 R HA -0.119 4.235 4.340 0.024 0.000 0.242 199 R C 2.041 178.370 176.300 0.048 0.000 1.145 199 R CA 1.724 57.876 56.100 0.088 0.000 0.984 199 R CB -0.179 30.179 30.300 0.097 0.000 0.869 199 R HN 0.437 nan 8.270 nan 0.000 0.455 200 T N 0.555 115.139 114.554 0.050 0.000 2.857 200 T HA -0.028 4.337 4.350 0.024 0.000 0.266 200 T C 1.660 176.388 174.700 0.047 0.000 1.048 200 T CA 0.679 62.806 62.100 0.046 0.000 1.139 200 T CB 0.077 68.971 68.868 0.043 0.000 0.874 200 T HN 0.049 nan 8.240 nan 0.000 0.455 201 K N 1.087 121.502 120.400 0.024 0.000 2.148 201 K HA 0.165 4.500 4.320 0.024 0.000 0.204 201 K C 2.155 178.791 176.600 0.059 0.000 1.050 201 K CA 0.728 57.045 56.287 0.050 0.000 0.942 201 K CB -0.466 32.025 32.500 -0.015 0.000 0.724 201 K HN 0.404 nan 8.250 nan 0.000 0.446 202 I N 1.023 121.575 120.570 -0.030 0.000 2.252 202 I HA -0.209 3.975 4.170 0.024 0.000 0.245 202 I C 2.135 178.259 176.117 0.011 0.000 1.102 202 I CA 1.044 62.319 61.300 -0.042 0.000 1.385 202 I CB -0.105 37.867 38.000 -0.047 0.000 1.064 202 I HN 0.105 nan 8.210 nan 0.000 0.414 203 E N 0.524 120.748 120.200 0.040 0.000 2.208 203 E HA -0.226 4.139 4.350 0.024 0.000 0.193 203 E C 1.930 178.584 176.600 0.089 0.000 0.988 203 E CA 0.809 57.243 56.400 0.058 0.000 0.828 203 E CB -0.025 29.709 29.700 0.057 0.000 0.763 203 E HN 0.519 nan 8.360 nan 0.000 0.478 204 E N 0.470 120.744 120.200 0.123 0.000 2.152 204 E HA -0.092 4.272 4.350 0.024 0.000 0.192 204 E C 2.119 178.907 176.600 0.313 0.000 0.983 204 E CA 0.313 56.839 56.400 0.210 0.000 0.818 204 E CB 0.148 29.986 29.700 0.230 0.000 0.758 204 E HN 0.147 nan 8.360 nan 0.000 0.467 205 L N 0.137 121.458 121.223 0.164 0.000 2.202 205 L HA 0.011 4.366 4.340 0.024 0.000 0.205 205 L C 2.694 179.533 176.870 -0.051 0.000 1.083 205 L CA 0.499 55.256 54.840 -0.138 0.000 0.790 205 L CB -0.113 41.690 42.059 -0.428 0.000 0.942 205 L HN 0.025 nan 8.230 nan 0.000 0.452 206 R N -0.424 120.078 120.500 0.004 0.000 2.073 206 R HA -0.232 4.122 4.340 0.024 0.000 0.234 206 R C 2.113 178.472 176.300 0.099 0.000 1.134 206 R CA 1.824 57.945 56.100 0.035 0.000 0.952 206 R CB -0.062 30.261 30.300 0.039 0.000 0.850 206 R HN 0.304 nan 8.270 nan 0.000 0.433 207 Q N -0.837 119.032 119.800 0.115 0.000 2.369 207 Q HA -0.129 4.226 4.340 0.024 0.000 0.206 207 Q C 1.712 177.805 176.000 0.155 0.000 0.963 207 Q CA 1.101 56.975 55.803 0.118 0.000 0.894 207 Q CB -0.175 28.619 28.738 0.094 0.000 0.965 207 Q HN 0.440 nan 8.270 nan 0.000 0.475 208 H N -0.373 118.757 119.070 0.099 0.000 2.403 208 H HA 0.048 4.618 4.556 0.024 0.000 0.298 208 H C 1.533 176.983 175.328 0.204 0.000 1.059 208 H CA 1.101 57.242 56.048 0.155 0.000 1.363 208 H CB 0.147 30.030 29.762 0.202 0.000 1.410 208 H HN 0.247 nan 8.280 nan 0.000 0.528 209 L N -0.091 121.343 121.223 0.351 0.000 2.068 209 L HA -0.124 4.231 4.340 0.024 0.000 0.204 209 L C 2.720 179.759 176.870 0.281 0.000 1.076 209 L CA 0.217 55.249 54.840 0.320 0.000 0.753 209 L CB -0.344 41.795 42.059 0.134 0.000 0.910 209 L HN 0.213 nan 8.230 nan 0.000 0.439 210 L N 0.717 122.060 121.223 0.199 0.000 2.103 210 L HA -0.275 4.080 4.340 0.024 0.000 0.215 210 L C 2.702 179.649 176.870 0.129 0.000 1.080 210 L CA 2.001 56.943 54.840 0.170 0.000 0.764 210 L CB -0.785 41.357 42.059 0.138 0.000 0.890 210 L HN 0.326 nan 8.230 nan 0.000 0.435 211 R N -1.452 119.094 120.500 0.077 0.000 2.189 211 R HA -0.179 4.175 4.340 0.024 0.000 0.218 211 R C 1.834 178.087 176.300 -0.078 0.000 1.074 211 R CA 1.167 57.232 56.100 -0.058 0.000 0.991 211 R CB -0.723 29.462 30.300 -0.192 0.000 0.883 211 R HN 0.399 nan 8.270 nan 0.000 0.457 212 W N -0.488 120.861 121.300 0.080 0.000 3.256 212 W HA 0.282 4.956 4.660 0.024 0.000 0.269 212 W C 0.781 177.352 176.519 0.088 0.000 1.310 212 W CA 0.399 57.796 57.345 0.086 0.000 1.673 212 W CB 0.660 30.191 29.460 0.119 0.000 1.115 212 W HN 0.365 nan 8.180 nan 0.000 0.686 213 G N 0.661 109.640 108.800 0.297 0.000 2.131 213 G HA2 -0.283 3.692 3.960 0.024 0.000 0.223 213 G HA3 -0.283 3.692 3.960 0.024 0.000 0.223 213 G C -0.474 174.575 174.900 0.247 0.000 0.990 213 G CA -0.476 44.768 45.100 0.241 0.000 0.671 213 G HN 0.068 nan 8.290 nan 0.000 0.521 214 L N 1.223 122.598 121.223 0.253 0.000 2.360 214 L HA 0.473 4.828 4.340 0.024 0.000 0.265 214 L C 0.266 177.261 176.870 0.209 0.000 1.066 214 L CA -1.245 53.721 54.840 0.211 0.000 0.929 214 L CB 0.352 42.509 42.059 0.163 0.000 1.306 214 L HN 0.306 nan 8.230 nan 0.000 0.434 215 Y N 2.612 122.975 120.300 0.104 0.000 2.402 215 Y HA 0.418 4.982 4.550 0.024 0.000 0.333 215 Y C 0.360 176.300 175.900 0.067 0.000 1.076 215 Y CA -0.968 57.180 58.100 0.080 0.000 1.299 215 Y CB 0.708 39.213 38.460 0.075 0.000 1.197 215 Y HN 0.576 nan 8.280 nan 0.000 0.517 216 T N 6.927 121.246 114.554 -0.391 0.000 2.842 216 T HA 0.512 4.877 4.350 0.024 0.000 0.308 216 T C -2.734 171.607 174.700 -0.600 0.000 1.041 216 T CA -2.202 59.617 62.100 -0.468 0.000 0.964 216 T CB 1.102 69.871 68.868 -0.165 0.000 0.972 216 T HN 0.415 nan 8.240 nan 0.000 0.460 217 P HA 0.167 nan 4.420 nan 0.000 0.271 217 P C 0.264 177.505 177.300 -0.100 0.000 1.233 217 P CA -0.425 62.472 63.100 -0.339 0.000 0.789 217 P CB 0.446 32.015 31.700 -0.218 0.000 0.951 218 D N 0.811 121.220 120.400 0.015 0.000 2.813 218 D HA -0.076 4.578 4.640 0.024 0.000 0.248 218 D C 0.560 176.870 176.300 0.017 0.000 1.254 218 D CA 0.901 54.918 54.000 0.029 0.000 0.921 218 D CB -0.405 40.431 40.800 0.061 0.000 1.118 218 D HN 0.416 nan 8.370 nan 0.000 0.450 219 Q N 0.915 120.704 119.800 -0.019 0.000 2.225 219 Q HA 0.043 4.397 4.340 0.024 0.000 0.259 219 Q C 0.069 176.047 176.000 -0.036 0.000 0.872 219 Q CA -0.389 55.405 55.803 -0.014 0.000 1.042 219 Q CB 0.269 28.990 28.738 -0.028 0.000 1.142 219 Q HN 0.264 nan 8.270 nan 0.000 0.463 220 K N -1.091 119.293 120.400 -0.025 0.000 2.090 220 K HA 0.264 4.599 4.320 0.024 0.000 0.249 220 K C -0.402 176.209 176.600 0.019 0.000 0.995 220 K CA -0.874 55.380 56.287 -0.055 0.000 0.914 220 K CB 0.862 33.339 32.500 -0.037 0.000 1.057 220 K HN 0.006 nan 8.250 nan 0.000 0.462 221 H N 1.370 120.395 119.070 -0.076 0.000 2.998 221 H HA -0.050 4.520 4.556 0.024 0.000 0.353 221 H C 0.455 175.838 175.328 0.092 0.000 1.099 221 H CA 0.523 56.519 56.048 -0.086 0.000 1.393 221 H CB 0.730 30.153 29.762 -0.565 0.000 1.343 221 H HN 0.597 nan 8.280 nan 0.000 0.609 222 Q N 1.642 121.660 119.800 0.364 0.000 2.219 222 Q HA 0.080 4.435 4.340 0.024 0.000 0.209 222 Q C -0.314 175.846 176.000 0.267 0.000 0.854 222 Q CA -0.151 55.804 55.803 0.253 0.000 0.960 222 Q CB 0.590 29.436 28.738 0.180 0.000 1.116 222 Q HN 0.612 nan 8.270 nan 0.000 0.500 223 K N 0.960 121.647 120.400 0.478 0.000 3.353 223 K HA -0.179 4.155 4.320 0.024 0.000 0.272 223 K C -0.547 176.004 176.600 -0.081 0.000 1.071 223 K CA 0.519 56.991 56.287 0.308 0.000 0.789 223 K CB -1.447 31.163 32.500 0.184 0.000 1.325 223 K HN 0.292 nan 8.250 nan 0.000 0.464 224 E N -0.947 119.034 120.200 -0.365 0.000 2.433 224 E HA 0.287 4.651 4.350 0.024 0.000 0.273 224 E C -2.177 173.944 176.600 -0.799 0.000 0.950 224 E CA -2.542 53.605 56.400 -0.421 0.000 0.796 224 E CB 1.745 31.343 29.700 -0.170 0.000 1.330 224 E HN -0.185 nan 8.360 nan 0.000 0.455 225 P HA -0.012 nan 4.420 nan 0.000 0.221 225 P C -2.311 174.559 177.300 -0.717 0.000 1.145 225 P CA 0.729 63.392 63.100 -0.727 0.000 0.795 225 P CB -0.409 30.873 31.700 -0.696 0.000 0.775 226 P HA 0.108 nan 4.420 nan 0.000 0.256 226 P C -0.732 176.629 177.300 0.101 0.000 1.689 226 P CA 0.492 63.522 63.100 -0.117 0.000 1.124 226 P CB -0.777 30.908 31.700 -0.025 0.000 1.766 227 F N 2.639 122.508 119.950 -0.135 0.000 2.382 227 F HA 0.308 4.849 4.527 0.024 0.000 0.361 227 F C 0.516 176.468 175.800 0.254 0.000 1.109 227 F CA -1.255 56.607 58.000 -0.231 0.000 1.031 227 F CB 1.429 40.241 39.000 -0.312 0.000 1.234 227 F HN -0.016 nan 8.300 nan 0.000 0.445 228 L N 5.526 127.129 121.223 0.633 0.000 2.385 228 L HA 0.155 4.509 4.340 0.024 0.000 0.285 228 L C -1.294 175.859 176.870 0.472 0.000 1.125 228 L CA -0.066 55.050 54.840 0.461 0.000 0.890 228 L CB 0.084 42.328 42.059 0.308 0.000 1.251 228 L HN 0.610 nan 8.230 nan 0.000 0.445 229 W N 7.296 128.756 121.300 0.267 0.000 2.715 229 W HA 0.382 5.057 4.660 0.024 0.000 0.331 229 W C -0.207 176.450 176.519 0.229 0.000 1.031 229 W CA -0.913 56.535 57.345 0.171 0.000 1.237 229 W CB 1.098 30.614 29.460 0.094 0.000 1.378 229 W HN 0.319 nan 8.180 nan 0.000 0.454 230 M N 5.208 124.523 119.600 -0.474 0.000 2.503 230 M HA -0.192 4.302 4.480 0.024 0.000 0.199 230 M C 0.887 177.157 176.300 -0.050 0.000 0.466 230 M CA 1.839 56.867 55.300 -0.454 0.000 0.510 230 M CB -2.314 29.681 32.600 -1.008 0.000 1.858 230 M HN 1.373 nan 8.290 nan 0.000 0.799 231 G N -0.050 108.749 108.800 -0.002 0.000 2.353 231 G HA2 -0.231 3.743 3.960 0.024 0.000 0.294 231 G HA3 -0.231 3.743 3.960 0.024 0.000 0.294 231 G C -0.469 174.386 174.900 -0.074 0.000 1.077 231 G CA 0.587 45.653 45.100 -0.058 0.000 1.098 231 G HN 0.665 nan 8.290 nan 0.000 0.511 232 Y N -1.237 119.191 120.300 0.213 0.000 3.141 232 Y HA 0.696 5.260 4.550 0.024 0.000 0.290 232 Y C 0.228 176.307 175.900 0.299 0.000 1.817 232 Y CA -0.732 57.540 58.100 0.287 0.000 1.067 232 Y CB 1.116 39.776 38.460 0.333 0.000 1.645 232 Y HN 0.182 nan 8.280 nan 0.000 0.470 233 E N 0.867 121.407 120.200 0.567 0.000 2.768 233 E HA 0.387 4.751 4.350 0.024 0.000 0.290 233 E C -2.202 174.696 176.600 0.496 0.000 1.100 233 E CA -0.181 56.487 56.400 0.447 0.000 0.768 233 E CB 0.295 30.229 29.700 0.391 0.000 1.501 233 E HN 0.410 nan 8.360 nan 0.000 0.384 234 L N 4.695 126.188 121.223 0.451 0.000 2.385 234 L HA 0.316 4.671 4.340 0.024 0.000 0.285 234 L C 0.109 177.145 176.870 0.278 0.000 1.125 234 L CA -0.011 55.089 54.840 0.433 0.000 0.890 234 L CB -0.435 41.847 42.059 0.373 0.000 1.251 234 L HN 0.533 nan 8.230 nan 0.000 0.445 235 H N 4.309 123.510 119.070 0.218 0.000 2.597 235 H HA 0.200 4.770 4.556 0.024 0.000 0.370 235 H C -1.204 174.197 175.328 0.122 0.000 1.281 235 H CA -1.195 54.898 56.048 0.075 0.000 1.422 235 H CB 0.322 30.121 29.762 0.062 0.000 1.524 235 H HN 0.315 nan 8.280 nan 0.000 0.607 236 P HA -0.133 nan 4.420 nan 0.000 0.216 236 P C -0.167 177.242 177.300 0.182 0.000 1.150 236 P CA 1.686 64.810 63.100 0.041 0.000 0.837 236 P CB 0.484 32.166 31.700 -0.029 0.000 0.786 237 D N -1.969 118.607 120.400 0.293 0.000 2.479 237 D HA 0.116 4.770 4.640 0.024 0.000 0.221 237 D C 0.611 177.141 176.300 0.384 0.000 1.104 237 D CA 0.352 54.566 54.000 0.356 0.000 0.849 237 D CB 0.498 41.393 40.800 0.158 0.000 1.072 237 D HN 0.200 nan 8.370 nan 0.000 0.502 238 K N 0.173 120.741 120.400 0.280 0.000 2.331 238 K HA 0.641 4.976 4.320 0.024 0.000 0.238 238 K C -1.167 175.539 176.600 0.177 0.000 1.058 238 K CA -1.133 55.194 56.287 0.067 0.000 0.871 238 K CB 2.316 34.672 32.500 -0.239 0.000 1.292 238 K HN 0.037 nan 8.250 nan 0.000 0.470 239 W N -0.435 120.777 121.300 -0.147 0.000 3.707 239 W HA 0.469 5.143 4.660 0.024 0.000 0.294 239 W C -1.795 174.721 176.519 -0.006 0.000 1.248 239 W CA -0.594 56.721 57.345 -0.051 0.000 1.217 239 W CB 0.674 30.010 29.460 -0.206 0.000 1.306 239 W HN 0.584 nan 8.180 nan 0.000 0.532 240 T N 1.354 115.986 114.554 0.130 0.000 2.883 240 T HA 0.632 4.996 4.350 0.024 0.000 0.296 240 T C -0.221 174.639 174.700 0.267 0.000 1.117 240 T CA -0.160 61.905 62.100 -0.059 0.000 1.006 240 T CB 1.457 70.293 68.868 -0.054 0.000 1.191 240 T HN 0.889 nan 8.240 nan 0.000 0.508 241 V N 1.596 121.598 119.914 0.147 0.000 3.385 241 V HA 0.562 4.696 4.120 0.024 0.000 0.301 241 V C 0.567 176.789 176.094 0.214 0.000 1.082 241 V CA -0.893 61.561 62.300 0.257 0.000 1.085 241 V CB 0.227 32.127 31.823 0.128 0.000 1.152 241 V HN 0.946 nan 8.190 nan 0.000 0.465 242 Q N 2.933 122.844 119.800 0.185 0.000 2.247 242 Q HA 0.149 4.504 4.340 0.024 0.000 0.288 242 Q C -2.141 173.942 176.000 0.139 0.000 1.079 242 Q CA -1.058 54.825 55.803 0.133 0.000 0.932 242 Q CB 0.096 28.857 28.738 0.038 0.000 1.133 242 Q HN 0.730 nan 8.270 nan 0.000 0.377 243 P HA -0.145 nan 4.420 nan 0.000 0.247 243 P C -0.508 176.849 177.300 0.094 0.000 1.147 243 P CA 0.557 63.723 63.100 0.110 0.000 0.964 243 P CB -0.170 31.584 31.700 0.091 0.000 0.944 244 I N 4.787 125.433 120.570 0.126 0.000 2.471 244 I HA 0.040 4.224 4.170 0.024 0.000 0.286 244 I C 0.223 176.380 176.117 0.067 0.000 1.079 244 I CA -0.507 60.857 61.300 0.107 0.000 1.398 244 I CB 0.895 39.000 38.000 0.175 0.000 1.403 244 I HN 0.086 nan 8.210 nan 0.000 0.530 245 V N 7.194 127.132 119.914 0.040 0.000 2.284 245 V HA 0.349 4.483 4.120 0.024 0.000 0.274 245 V C -0.134 175.976 176.094 0.027 0.000 1.023 245 V CA -0.924 61.393 62.300 0.029 0.000 0.808 245 V CB 0.527 32.362 31.823 0.020 0.000 1.035 245 V HN 0.646 nan 8.190 nan 0.000 0.445 246 L N 3.479 124.719 121.223 0.028 0.000 2.455 246 L HA 0.591 4.946 4.340 0.024 0.000 0.272 246 L C -1.733 175.178 176.870 0.069 0.000 1.174 246 L CA -1.137 53.726 54.840 0.038 0.000 0.869 246 L CB -0.220 41.849 42.059 0.017 0.000 1.130 246 L HN 0.413 nan 8.230 nan 0.000 0.474 247 P HA 0.215 nan 4.420 nan 0.000 0.281 247 P C -1.378 176.094 177.300 0.288 0.000 1.252 247 P CA -0.260 62.930 63.100 0.150 0.000 0.778 247 P CB 1.136 32.937 31.700 0.168 0.000 0.895 248 E N 2.845 123.150 120.200 0.175 0.000 2.255 248 E HA 0.506 4.870 4.350 0.024 0.000 0.256 248 E C -0.818 175.715 176.600 -0.112 0.000 0.887 248 E CA -0.882 55.642 56.400 0.207 0.000 0.782 248 E CB 1.752 31.540 29.700 0.146 0.000 1.214 248 E HN 0.281 nan 8.360 nan 0.000 0.417 249 K N 2.661 122.721 120.400 -0.566 0.000 2.469 249 K HA 0.309 4.644 4.320 0.024 0.000 0.254 249 K C -0.599 175.537 176.600 -0.773 0.000 0.939 249 K CA -1.011 54.852 56.287 -0.706 0.000 0.812 249 K CB 1.951 33.954 32.500 -0.828 0.000 1.301 249 K HN 0.164 nan 8.250 nan 0.000 0.433 250 D N 1.106 121.252 120.400 -0.423 0.000 2.137 250 D HA -0.125 4.530 4.640 0.024 0.000 0.189 250 D C 0.056 176.136 176.300 -0.368 0.000 0.998 250 D CA 1.715 55.554 54.000 -0.268 0.000 0.839 250 D CB 0.170 40.871 40.800 -0.164 0.000 0.962 250 D HN 0.349 nan 8.370 nan 0.000 0.446 251 S N -1.107 114.324 115.700 -0.449 0.000 2.608 251 S HA 0.535 5.020 4.470 0.024 0.000 0.291 251 S C -0.914 173.328 174.600 -0.596 0.000 1.146 251 S CA -0.743 57.249 58.200 -0.346 0.000 1.043 251 S CB 1.090 64.198 63.200 -0.154 0.000 1.037 251 S HN 0.176 nan 8.310 nan 0.000 0.520 252 W N 0.604 121.895 121.300 -0.015 0.000 2.864 252 W HA 0.575 5.250 4.660 0.024 0.000 0.343 252 W C 0.295 176.805 176.519 -0.016 0.000 1.109 252 W CA -0.754 56.581 57.345 -0.016 0.000 1.192 252 W CB 0.932 30.382 29.460 -0.016 0.000 1.426 252 W HN 0.669 nan 8.180 nan 0.000 0.529 253 T N -2.849 111.841 114.554 0.227 0.000 2.938 253 T HA 0.402 4.766 4.350 0.024 0.000 0.285 253 T C 0.596 175.364 174.700 0.114 0.000 1.028 253 T CA -0.754 61.419 62.100 0.123 0.000 1.005 253 T CB 1.170 70.077 68.868 0.065 0.000 1.157 253 T HN 0.208 nan 8.240 nan 0.000 0.550 254 V N 1.342 121.295 119.914 0.065 0.000 2.287 254 V HA -0.180 3.955 4.120 0.024 0.000 0.248 254 V C 2.844 178.964 176.094 0.043 0.000 1.053 254 V CA 2.424 64.750 62.300 0.042 0.000 1.027 254 V CB -1.205 30.632 31.823 0.023 0.000 0.646 254 V HN 0.967 nan 8.190 nan 0.000 0.447 255 N N 0.650 119.376 118.700 0.043 0.000 2.120 255 N HA -0.171 4.584 4.740 0.024 0.000 0.188 255 N C 1.399 176.945 175.510 0.061 0.000 1.024 255 N CA 1.727 54.798 53.050 0.036 0.000 0.852 255 N CB -0.357 38.142 38.487 0.021 0.000 1.003 255 N HN 0.444 nan 8.380 nan 0.000 0.424 256 D N -0.347 120.117 120.400 0.106 0.000 2.310 256 D HA -0.068 4.586 4.640 0.024 0.000 0.212 256 D C 1.705 178.132 176.300 0.212 0.000 0.965 256 D CA 0.327 54.438 54.000 0.185 0.000 0.879 256 D CB -0.018 40.945 40.800 0.272 0.000 0.921 256 D HN 0.400 nan 8.370 nan 0.000 0.510 257 I N -0.500 120.139 120.570 0.116 0.000 2.585 257 I HA -0.137 4.048 4.170 0.024 0.000 0.254 257 I C 1.775 177.884 176.117 -0.012 0.000 1.129 257 I CA 0.552 61.850 61.300 -0.002 0.000 1.455 257 I CB 0.224 38.195 38.000 -0.048 0.000 1.111 257 I HN -0.033 nan 8.210 nan 0.000 0.433 258 C N 0.900 120.207 119.300 0.011 0.000 2.413 258 C HA -0.165 4.309 4.460 0.024 0.000 0.276 258 C C 2.407 177.401 174.990 0.006 0.000 1.236 258 C CA 0.911 59.931 59.018 0.003 0.000 1.735 258 C CB -1.199 26.545 27.740 0.006 0.000 2.031 258 C HN 0.403 nan 8.230 nan 0.000 0.474 259 K N 0.233 120.646 120.400 0.022 0.000 2.574 259 K HA -0.016 4.318 4.320 0.024 0.000 0.193 259 K C 1.597 178.212 176.600 0.024 0.000 1.035 259 K CA 0.552 56.851 56.287 0.021 0.000 0.982 259 K CB -0.091 32.430 32.500 0.035 0.000 0.795 259 K HN 0.558 nan 8.250 nan 0.000 0.491 260 L N -0.700 120.529 121.223 0.012 0.000 2.433 260 L HA -0.017 4.337 4.340 0.024 0.000 0.200 260 L C 1.950 178.805 176.870 -0.025 0.000 1.059 260 L CA 0.279 55.112 54.840 -0.012 0.000 0.835 260 L CB 0.116 42.130 42.059 -0.075 0.000 1.076 260 L HN -0.170 nan 8.230 nan 0.000 0.481 261 V N 0.604 120.496 119.914 -0.036 0.000 2.252 261 V HA -0.278 3.857 4.120 0.024 0.000 0.249 261 V C 2.565 178.665 176.094 0.010 0.000 1.056 261 V CA 2.258 64.542 62.300 -0.027 0.000 1.022 261 V CB -1.343 30.461 31.823 -0.032 0.000 0.641 261 V HN 0.656 nan 8.190 nan 0.000 0.445 262 G N -1.224 107.586 108.800 0.018 0.000 2.448 262 G HA2 -0.293 3.682 3.960 0.024 0.000 0.219 262 G HA3 -0.293 3.682 3.960 0.024 0.000 0.219 262 G C 1.644 176.591 174.900 0.079 0.000 1.127 262 G CA 0.973 46.100 45.100 0.045 0.000 0.766 262 G HN 0.502 nan 8.290 nan 0.000 0.552 263 K N -0.714 119.717 120.400 0.052 0.000 2.228 263 K HA 0.160 4.494 4.320 0.024 0.000 0.202 263 K C 2.187 178.859 176.600 0.121 0.000 1.051 263 K CA 0.214 56.544 56.287 0.071 0.000 0.960 263 K CB -0.089 32.426 32.500 0.025 0.000 0.743 263 K HN 0.249 nan 8.250 nan 0.000 0.458 264 L N 1.329 122.594 121.223 0.070 0.000 2.131 264 L HA -0.017 4.338 4.340 0.024 0.000 0.206 264 L C 1.424 178.342 176.870 0.080 0.000 1.087 264 L CA 1.479 56.348 54.840 0.048 0.000 0.767 264 L CB -0.440 41.613 42.059 -0.010 0.000 0.917 264 L HN 0.153 nan 8.230 nan 0.000 0.441 265 N N -0.758 117.998 118.700 0.093 0.000 2.166 265 N HA -0.268 4.486 4.740 0.024 0.000 0.186 265 N C 1.631 177.226 175.510 0.142 0.000 1.019 265 N CA 1.446 54.553 53.050 0.096 0.000 0.856 265 N CB -0.574 37.969 38.487 0.094 0.000 0.993 265 N HN 0.588 nan 8.380 nan 0.000 0.426 266 W N 1.962 123.275 121.300 0.022 0.000 2.350 266 W HA -0.097 4.577 4.660 0.024 0.000 0.289 266 W C 1.474 178.035 176.519 0.069 0.000 1.215 266 W CA 1.594 58.958 57.345 0.032 0.000 1.236 266 W CB -0.102 29.356 29.460 -0.002 0.000 1.130 266 W HN 0.018 nan 8.180 nan 0.000 0.541 267 A N 0.065 122.977 122.820 0.154 0.000 2.235 267 A HA -0.020 4.314 4.320 0.024 0.000 0.208 267 A C 1.890 179.544 177.584 0.117 0.000 1.172 267 A CA 1.199 53.340 52.037 0.172 0.000 0.786 267 A CB -0.683 18.489 19.000 0.287 0.000 0.804 267 A HN 0.199 nan 8.150 nan 0.000 0.479 268 S N 0.039 115.753 115.700 0.023 0.000 2.442 268 S HA -0.182 4.302 4.470 0.024 0.000 0.236 268 S C 1.876 176.433 174.600 -0.071 0.000 1.007 268 S CA 1.241 59.431 58.200 -0.017 0.000 0.965 268 S CB -0.196 62.986 63.200 -0.030 0.000 0.773 268 S HN 0.747 nan 8.310 nan 0.000 0.504 269 Q N 0.599 120.340 119.800 -0.098 0.000 1.921 269 Q HA -0.108 4.247 4.340 0.024 0.000 0.208 269 Q C 2.284 178.234 176.000 -0.083 0.000 0.994 269 Q CA 1.881 57.646 55.803 -0.064 0.000 0.857 269 Q CB -0.284 28.417 28.738 -0.062 0.000 0.925 269 Q HN 0.575 nan 8.270 nan 0.000 0.421 270 I N -1.007 119.429 120.570 -0.225 0.000 2.703 270 I HA -0.076 4.109 4.170 0.024 0.000 0.259 270 I C -0.168 175.724 176.117 -0.374 0.000 1.151 270 I CA 0.189 61.246 61.300 -0.406 0.000 1.470 270 I CB 0.407 37.964 38.000 -0.738 0.000 1.112 270 I HN 0.026 nan 8.210 nan 0.000 0.437 271 Y N 4.089 124.289 120.300 -0.166 0.000 2.436 271 Y HA 0.344 4.908 4.550 0.024 0.000 0.336 271 Y C -2.139 173.676 175.900 -0.141 0.000 1.049 271 Y CA -3.092 54.922 58.100 -0.143 0.000 1.294 271 Y CB -0.230 38.165 38.460 -0.107 0.000 1.179 271 Y HN 0.110 nan 8.280 nan 0.000 0.520 272 P HA 0.306 nan 4.420 nan 0.000 0.290 272 P C 0.541 177.817 177.300 -0.039 0.000 1.275 272 P CA -0.022 63.045 63.100 -0.055 0.000 0.841 272 P CB 2.069 33.712 31.700 -0.094 0.000 1.042 273 G N 1.984 110.754 108.800 -0.051 0.000 2.225 273 G HA2 -0.256 3.719 3.960 0.024 0.000 0.254 273 G HA3 -0.256 3.719 3.960 0.024 0.000 0.254 273 G C 0.116 174.991 174.900 -0.043 0.000 0.988 273 G CA -0.202 44.872 45.100 -0.043 0.000 0.625 273 G HN 0.485 nan 8.290 nan 0.000 0.527 274 I N 2.708 123.254 120.570 -0.041 0.000 2.664 274 I HA 0.293 4.477 4.170 0.024 0.000 0.284 274 I C 0.917 177.012 176.117 -0.038 0.000 1.154 274 I CA 0.622 61.895 61.300 -0.046 0.000 1.402 274 I CB 0.353 38.332 38.000 -0.034 0.000 1.395 274 I HN 0.423 nan 8.210 nan 0.000 0.545 275 K N 5.360 125.733 120.400 -0.045 0.000 2.395 275 K HA 0.822 5.157 4.320 0.024 0.000 0.247 275 K C -0.463 176.108 176.600 -0.049 0.000 0.973 275 K CA -0.875 55.388 56.287 -0.039 0.000 0.828 275 K CB 2.458 34.932 32.500 -0.043 0.000 1.272 275 K HN 0.193 nan 8.250 nan 0.000 0.439 276 V N -1.694 118.193 119.914 -0.045 0.000 3.187 276 V HA 0.231 4.365 4.120 0.024 0.000 0.402 276 V C 1.269 177.332 176.094 -0.053 0.000 1.457 276 V CA -0.446 61.821 62.300 -0.055 0.000 1.409 276 V CB 0.459 32.252 31.823 -0.050 0.000 1.218 276 V HN 0.962 nan 8.190 nan 0.000 0.595 277 R N 0.572 121.042 120.500 -0.050 0.000 2.083 277 R HA -0.121 4.233 4.340 0.024 0.000 0.237 277 R C 1.871 178.141 176.300 -0.050 0.000 1.137 277 R CA 2.417 58.488 56.100 -0.048 0.000 0.951 277 R CB 0.034 30.304 30.300 -0.049 0.000 0.851 277 R HN 0.704 nan 8.270 nan 0.000 0.434 278 Q N 0.392 120.159 119.800 -0.055 0.000 2.061 278 Q HA -0.064 4.290 4.340 0.024 0.000 0.195 278 Q C 2.369 178.330 176.000 -0.066 0.000 0.967 278 Q CA 0.662 56.432 55.803 -0.056 0.000 0.829 278 Q CB -0.287 28.417 28.738 -0.056 0.000 0.900 278 Q HN 0.325 nan 8.270 nan 0.000 0.450 279 L N 1.612 122.787 121.223 -0.080 0.000 2.151 279 L HA -0.267 4.087 4.340 0.024 0.000 0.215 279 L C 2.378 179.194 176.870 -0.090 0.000 1.084 279 L CA 1.832 56.609 54.840 -0.104 0.000 0.764 279 L CB -0.211 41.776 42.059 -0.119 0.000 0.891 279 L HN 0.268 nan 8.230 nan 0.000 0.435 280 S N -2.182 113.477 115.700 -0.068 0.000 2.486 280 S HA -0.114 4.370 4.470 0.024 0.000 0.220 280 S C 1.835 176.408 174.600 -0.044 0.000 1.011 280 S CA 0.097 58.265 58.200 -0.053 0.000 0.921 280 S CB -0.150 63.024 63.200 -0.044 0.000 0.785 280 S HN 0.322 nan 8.310 nan 0.000 0.517 281 K N 0.693 121.067 120.400 -0.044 0.000 2.520 281 K HA 0.078 4.412 4.320 0.024 0.000 0.197 281 K C 0.950 177.531 176.600 -0.032 0.000 1.043 281 K CA 0.572 56.838 56.287 -0.035 0.000 0.944 281 K CB -0.174 32.305 32.500 -0.035 0.000 0.770 281 K HN 0.340 nan 8.250 nan 0.000 0.480 282 L N 0.295 121.496 121.223 -0.038 0.000 2.554 282 L HA -0.007 4.347 4.340 0.024 0.000 0.225 282 L C 1.453 178.309 176.870 -0.023 0.000 1.104 282 L CA 0.407 55.228 54.840 -0.032 0.000 0.866 282 L CB -0.303 41.731 42.059 -0.043 0.000 1.047 282 L HN 0.206 nan 8.230 nan 0.000 0.468 283 L N 0.274 121.482 121.223 -0.025 0.000 2.552 283 L HA 0.016 4.371 4.340 0.024 0.000 0.227 283 L C 1.229 178.092 176.870 -0.012 0.000 1.146 283 L CA 0.627 55.456 54.840 -0.018 0.000 0.858 283 L CB -0.676 41.371 42.059 -0.020 0.000 0.969 283 L HN 0.220 nan 8.230 nan 0.000 0.451 284 R N 0.517 121.009 120.500 -0.013 0.000 2.537 284 R HA 0.393 4.748 4.340 0.024 0.000 0.280 284 R C 0.497 176.793 176.300 -0.006 0.000 1.058 284 R CA 0.549 56.643 56.100 -0.010 0.000 1.057 284 R CB 0.094 30.388 30.300 -0.010 0.000 0.973 284 R HN 0.218 nan 8.270 nan 0.000 0.438 285 G N 1.271 110.069 108.800 -0.003 0.000 2.742 285 G HA2 -0.192 3.782 3.960 0.024 0.000 0.686 285 G HA3 -0.192 3.782 3.960 0.024 0.000 0.686 285 G C -0.386 174.514 174.900 -0.000 0.000 1.220 285 G CA -1.059 44.040 45.100 -0.001 0.000 0.783 285 G HN 0.446 nan 8.290 nan 0.000 0.646 286 T N 4.263 118.818 114.554 0.001 0.000 3.738 286 T HA 0.216 4.581 4.350 0.024 0.000 0.231 286 T C 0.858 175.559 174.700 0.002 0.000 0.967 286 T CA 0.361 62.462 62.100 0.001 0.000 1.227 286 T CB -0.202 68.667 68.868 0.002 0.000 1.136 286 T HN 0.467 nan 8.240 nan 0.000 0.807 287 K N 1.664 122.065 120.400 0.002 0.000 2.087 287 K HA 0.701 5.035 4.320 0.024 0.000 0.255 287 K C 0.086 176.687 176.600 0.003 0.000 0.988 287 K CA -0.648 55.641 56.287 0.003 0.000 0.915 287 K CB 1.568 34.070 32.500 0.004 0.000 1.043 287 K HN 0.419 nan 8.250 nan 0.000 0.457 288 A N 1.903 124.725 122.820 0.003 0.000 2.317 288 A HA 0.321 4.655 4.320 0.024 0.000 0.327 288 A C 1.340 178.926 177.584 0.004 0.000 1.178 288 A CA -0.700 51.338 52.037 0.001 0.000 0.817 288 A CB 0.244 19.243 19.000 -0.001 0.000 1.189 288 A HN 0.806 nan 8.150 nan 0.000 0.489 289 L N 1.512 122.736 121.223 0.002 0.000 2.081 289 L HA -0.163 4.191 4.340 0.024 0.000 0.212 289 L C 1.929 178.804 176.870 0.009 0.000 1.080 289 L CA 2.545 57.389 54.840 0.006 0.000 0.754 289 L CB -1.418 40.641 42.059 0.000 0.000 0.893 289 L HN 0.703 nan 8.230 nan 0.000 0.433 290 T N -2.932 111.624 114.554 0.003 0.000 3.043 290 T HA -0.027 4.338 4.350 0.024 0.000 0.263 290 T C 0.861 175.566 174.700 0.008 0.000 1.094 290 T CA 0.077 62.178 62.100 0.002 0.000 1.127 290 T CB -0.495 68.368 68.868 -0.007 0.000 0.905 290 T HN 0.511 nan 8.240 nan 0.000 0.490 291 E N 1.852 122.058 120.200 0.010 0.000 2.585 291 E HA 0.150 4.514 4.350 0.024 0.000 0.252 291 E C -0.653 175.962 176.600 0.025 0.000 0.981 291 E CA -0.380 56.028 56.400 0.013 0.000 0.943 291 E CB 0.411 30.118 29.700 0.012 0.000 0.923 291 E HN 0.201 nan 8.360 nan 0.000 0.486 292 V N 6.067 125.995 119.914 0.023 0.000 2.614 292 V HA 0.243 4.377 4.120 0.024 0.000 0.291 292 V C 0.225 176.345 176.094 0.044 0.000 1.049 292 V CA -0.208 62.114 62.300 0.036 0.000 1.038 292 V CB 0.841 32.677 31.823 0.022 0.000 0.980 292 V HN 0.576 nan 8.190 nan 0.000 0.481 293 I N 6.950 127.562 120.570 0.070 0.000 2.571 293 I HA 0.628 4.813 4.170 0.024 0.000 0.289 293 I C -2.558 173.614 176.117 0.092 0.000 1.115 293 I CA -2.056 59.282 61.300 0.063 0.000 1.045 293 I CB 2.654 40.682 38.000 0.046 0.000 1.238 293 I HN 0.508 nan 8.210 nan 0.000 0.424 294 P HA 0.289 nan 4.420 nan 0.000 0.279 294 P C -0.847 176.486 177.300 0.055 0.000 1.239 294 P CA -0.366 62.785 63.100 0.084 0.000 0.789 294 P CB 0.987 32.720 31.700 0.055 0.000 0.933 295 L N 2.124 123.384 121.223 0.061 0.000 2.426 295 L HA 0.148 4.502 4.340 0.024 0.000 0.271 295 L C 1.252 178.115 176.870 -0.011 0.000 1.169 295 L CA -0.048 54.785 54.840 -0.012 0.000 0.836 295 L CB -0.131 41.898 42.059 -0.050 0.000 1.112 295 L HN 0.388 nan 8.230 nan 0.000 0.465 296 T N 0.824 115.359 114.554 -0.032 0.000 2.813 296 T HA -0.037 4.327 4.350 0.024 0.000 0.297 296 T C 1.172 175.856 174.700 -0.027 0.000 1.036 296 T CA -0.430 61.655 62.100 -0.025 0.000 1.044 296 T CB 1.161 70.010 68.868 -0.031 0.000 0.993 296 T HN 0.706 nan 8.240 nan 0.000 0.535 297 E N 0.241 120.429 120.200 -0.020 0.000 2.150 297 E HA -0.167 4.197 4.350 0.024 0.000 0.193 297 E C 1.427 178.010 176.600 -0.029 0.000 0.985 297 E CA 1.156 57.545 56.400 -0.019 0.000 0.814 297 E CB 0.144 29.835 29.700 -0.014 0.000 0.752 297 E HN 0.596 nan 8.360 nan 0.000 0.466 298 E N -0.016 120.163 120.200 -0.034 0.000 2.170 298 E HA -0.015 4.350 4.350 0.024 0.000 0.191 298 E C 1.720 178.288 176.600 -0.054 0.000 0.981 298 E CA 0.908 57.284 56.400 -0.040 0.000 0.830 298 E CB -0.025 29.652 29.700 -0.038 0.000 0.775 298 E HN 0.320 nan 8.360 nan 0.000 0.470 299 A N 1.058 123.841 122.820 -0.062 0.000 1.930 299 A HA -0.172 4.162 4.320 0.024 0.000 0.217 299 A C 1.788 179.312 177.584 -0.100 0.000 1.175 299 A CA 1.223 53.207 52.037 -0.088 0.000 0.627 299 A CB -0.313 18.627 19.000 -0.099 0.000 0.815 299 A HN 0.148 nan 8.150 nan 0.000 0.443 300 E N -0.835 119.319 120.200 -0.075 0.000 2.418 300 E HA -0.062 4.302 4.350 0.024 0.000 0.197 300 E C 1.654 178.221 176.600 -0.054 0.000 1.026 300 E CA 0.474 56.836 56.400 -0.065 0.000 0.862 300 E CB -0.068 29.615 29.700 -0.028 0.000 0.799 300 E HN 0.542 nan 8.360 nan 0.000 0.518 301 L N 0.962 122.152 121.223 -0.054 0.000 2.102 301 L HA -0.063 4.292 4.340 0.024 0.000 0.202 301 L C 1.871 178.706 176.870 -0.058 0.000 1.076 301 L CA 1.631 56.443 54.840 -0.048 0.000 0.761 301 L CB 0.033 42.067 42.059 -0.043 0.000 0.921 301 L HN -0.048 nan 8.230 nan 0.000 0.444 302 E N -0.282 119.876 120.200 -0.071 0.000 2.031 302 E HA -0.256 4.108 4.350 0.024 0.000 0.193 302 E C 2.237 178.783 176.600 -0.090 0.000 0.994 302 E CA 1.544 57.897 56.400 -0.079 0.000 0.800 302 E CB -0.384 29.265 29.700 -0.085 0.000 0.752 302 E HN 0.446 nan 8.360 nan 0.000 0.447 303 L N 0.487 121.644 121.223 -0.111 0.000 2.261 303 L HA -0.202 4.153 4.340 0.024 0.000 0.216 303 L C 2.197 179.016 176.870 -0.085 0.000 1.114 303 L CA 0.953 55.717 54.840 -0.126 0.000 0.777 303 L CB -0.094 41.850 42.059 -0.192 0.000 0.910 303 L HN 0.116 nan 8.230 nan 0.000 0.440 304 A N -0.158 122.623 122.820 -0.065 0.000 1.935 304 A HA -0.137 4.197 4.320 0.024 0.000 0.214 304 A C 2.086 179.641 177.584 -0.048 0.000 1.178 304 A CA 1.005 53.016 52.037 -0.042 0.000 0.640 304 A CB -0.282 18.700 19.000 -0.030 0.000 0.825 304 A HN 0.636 nan 8.150 nan 0.000 0.447 305 E N -0.369 119.796 120.200 -0.057 0.000 2.170 305 E HA -0.112 4.253 4.350 0.024 0.000 0.191 305 E C 1.211 177.765 176.600 -0.077 0.000 0.981 305 E CA 1.025 57.389 56.400 -0.060 0.000 0.830 305 E CB -0.380 29.286 29.700 -0.056 0.000 0.775 305 E HN 0.403 nan 8.360 nan 0.000 0.470 306 N N 1.249 119.896 118.700 -0.088 0.000 2.331 306 N HA -0.094 4.661 4.740 0.024 0.000 0.180 306 N C 1.599 177.034 175.510 -0.125 0.000 1.019 306 N CA 0.778 53.761 53.050 -0.113 0.000 0.881 306 N CB -0.210 38.212 38.487 -0.109 0.000 0.972 306 N HN 0.187 nan 8.380 nan 0.000 0.435 307 R N 0.947 121.391 120.500 -0.093 0.000 2.235 307 R HA 0.047 4.402 4.340 0.024 0.000 0.213 307 R C 1.061 177.311 176.300 -0.083 0.000 1.059 307 R CA 0.934 56.986 56.100 -0.079 0.000 0.997 307 R CB 0.182 30.457 30.300 -0.042 0.000 0.884 307 R HN 0.303 nan 8.270 nan 0.000 0.462 308 E N -0.229 119.921 120.200 -0.083 0.000 2.340 308 E HA -0.024 4.340 4.350 0.024 0.000 0.194 308 E C 1.485 178.028 176.600 -0.095 0.000 0.996 308 E CA 0.116 56.473 56.400 -0.072 0.000 0.869 308 E CB 0.374 30.043 29.700 -0.052 0.000 0.835 308 E HN 0.271 nan 8.360 nan 0.000 0.493 309 I N 0.950 121.437 120.570 -0.138 0.000 2.617 309 I HA -0.146 4.038 4.170 0.024 0.000 0.256 309 I C 2.146 178.068 176.117 -0.325 0.000 1.167 309 I CA 1.021 62.217 61.300 -0.173 0.000 1.469 309 I CB -0.763 37.130 38.000 -0.177 0.000 1.098 309 I HN 0.151 nan 8.210 nan 0.000 0.436 310 L N 0.412 121.393 121.223 -0.404 0.000 2.291 310 L HA -0.135 4.219 4.340 0.024 0.000 0.214 310 L C 2.427 179.181 176.870 -0.195 0.000 1.120 310 L CA 0.677 55.197 54.840 -0.534 0.000 0.799 310 L CB -0.468 41.371 42.059 -0.366 0.000 0.925 310 L HN 0.153 nan 8.230 nan 0.000 0.446 311 K N 1.289 121.621 120.400 -0.112 0.000 2.148 311 K HA -0.126 4.208 4.320 0.024 0.000 0.204 311 K C 0.946 177.551 176.600 0.008 0.000 1.050 311 K CA 0.683 56.950 56.287 -0.033 0.000 0.942 311 K CB 0.006 32.488 32.500 -0.031 0.000 0.724 311 K HN 0.162 nan 8.250 nan 0.000 0.446 312 E N 2.235 122.440 120.200 0.008 0.000 2.366 312 E HA 0.034 4.399 4.350 0.024 0.000 0.266 312 E C -2.233 174.449 176.600 0.137 0.000 1.015 312 E CA -1.927 54.507 56.400 0.057 0.000 0.906 312 E CB 0.495 30.224 29.700 0.047 0.000 0.979 312 E HN 0.133 nan 8.360 nan 0.000 0.443 313 P HA 0.115 nan 4.420 nan 0.000 0.293 313 P C -0.909 176.412 177.300 0.035 0.000 1.313 313 P CA -0.352 62.800 63.100 0.087 0.000 0.787 313 P CB 1.141 32.878 31.700 0.062 0.000 0.910 314 V N 1.311 121.195 119.914 -0.051 0.000 3.130 314 V HA 0.745 4.880 4.120 0.024 0.000 0.310 314 V C -0.644 175.278 176.094 -0.286 0.000 1.158 314 V CA -0.839 61.334 62.300 -0.212 0.000 1.029 314 V CB 2.224 33.866 31.823 -0.301 0.000 1.057 314 V HN 0.815 nan 8.190 nan 0.000 0.436 315 H N 0.196 119.072 119.070 -0.324 0.000 2.961 315 H HA 0.793 5.363 4.556 0.024 0.000 0.371 315 H C -0.271 174.744 175.328 -0.520 0.000 1.190 315 H CA -0.268 55.505 56.048 -0.458 0.000 1.138 315 H CB 1.951 31.517 29.762 -0.327 0.000 1.816 315 H HN 1.068 nan 8.280 nan 0.000 0.551 316 G N 0.268 108.565 108.800 -0.839 0.000 2.557 316 G HA2 0.480 4.454 3.960 0.024 0.000 0.302 316 G HA3 0.480 4.454 3.960 0.024 0.000 0.302 316 G C -0.947 173.958 174.900 0.007 0.000 1.311 316 G CA -0.499 44.234 45.100 -0.612 0.000 1.030 316 G HN 0.500 nan 8.290 nan 0.000 0.509 317 V N -1.284 118.849 119.914 0.365 0.000 3.074 317 V HA 0.665 4.799 4.120 0.024 0.000 0.314 317 V C -1.314 174.864 176.094 0.140 0.000 1.117 317 V CA -1.039 61.395 62.300 0.224 0.000 1.014 317 V CB 1.944 33.895 31.823 0.214 0.000 1.057 317 V HN 0.614 nan 8.190 nan 0.000 0.438 318 Y N 2.146 122.603 120.300 0.262 0.000 2.335 318 Y HA 0.402 4.966 4.550 0.024 0.000 0.323 318 Y C -0.206 175.805 175.900 0.185 0.000 1.224 318 Y CA -0.079 58.120 58.100 0.165 0.000 1.241 318 Y CB 0.772 39.290 38.460 0.096 0.000 1.235 318 Y HN 0.662 nan 8.280 nan 0.000 0.492 319 Y N 2.713 123.165 120.300 0.253 0.000 2.425 319 Y HA 0.102 4.666 4.550 0.024 0.000 0.331 319 Y C -0.328 175.604 175.900 0.054 0.000 1.157 319 Y CA -0.624 57.539 58.100 0.105 0.000 1.372 319 Y CB 0.469 39.039 38.460 0.185 0.000 1.253 319 Y HN 0.544 nan 8.280 nan 0.000 0.536 320 D N 8.415 128.361 120.400 -0.757 0.000 2.471 320 D HA 0.235 4.890 4.640 0.024 0.000 0.245 320 D C -2.115 173.547 176.300 -1.063 0.000 1.116 320 D CA -2.038 51.547 54.000 -0.692 0.000 0.853 320 D CB 2.196 42.814 40.800 -0.302 0.000 1.123 320 D HN 0.393 nan 8.370 nan 0.000 0.540 321 P HA -0.097 nan 4.420 nan 0.000 0.234 321 P C 1.025 178.183 177.300 -0.236 0.000 1.167 321 P CA 0.547 63.336 63.100 -0.518 0.000 0.763 321 P CB 0.393 31.968 31.700 -0.209 0.000 0.835 322 S N -1.690 113.874 115.700 -0.227 0.000 2.404 322 S HA 0.052 4.536 4.470 0.024 0.000 0.223 322 S C 1.179 175.705 174.600 -0.124 0.000 1.040 322 S CA 0.117 58.237 58.200 -0.134 0.000 0.957 322 S CB -0.460 62.675 63.200 -0.107 0.000 0.826 322 S HN -0.063 nan 8.310 nan 0.000 0.491 323 K N 2.657 122.963 120.400 -0.156 0.000 2.219 323 K HA 0.292 4.626 4.320 0.024 0.000 0.258 323 K C -0.360 176.160 176.600 -0.132 0.000 1.008 323 K CA -0.188 56.020 56.287 -0.131 0.000 0.928 323 K CB 0.124 32.547 32.500 -0.129 0.000 0.983 323 K HN 0.356 nan 8.250 nan 0.000 0.484 324 D N 0.987 121.311 120.400 -0.128 0.000 2.357 324 D HA 0.097 4.752 4.640 0.024 0.000 0.242 324 D C -0.274 175.907 176.300 -0.198 0.000 1.153 324 D CA -0.219 53.694 54.000 -0.145 0.000 0.918 324 D CB 0.790 41.507 40.800 -0.139 0.000 1.181 324 D HN 0.056 nan 8.370 nan 0.000 0.435 325 L N 2.708 123.793 121.223 -0.230 0.000 2.319 325 L HA 0.311 4.665 4.340 0.024 0.000 0.281 325 L C -0.883 175.775 176.870 -0.353 0.000 1.005 325 L CA -0.619 54.037 54.840 -0.307 0.000 0.828 325 L CB 1.012 42.873 42.059 -0.330 0.000 1.227 325 L HN 0.194 nan 8.230 nan 0.000 0.415 326 I N 2.790 123.103 120.570 -0.428 0.000 2.436 326 I HA 0.768 4.953 4.170 0.024 0.000 0.289 326 I C -0.496 175.459 176.117 -0.269 0.000 1.010 326 I CA -1.002 60.054 61.300 -0.408 0.000 1.098 326 I CB 1.345 39.063 38.000 -0.470 0.000 1.266 326 I HN 0.651 nan 8.210 nan 0.000 0.434 327 A N 5.343 128.083 122.820 -0.134 0.000 2.256 327 A HA 0.494 4.829 4.320 0.024 0.000 0.317 327 A C -0.118 177.633 177.584 0.278 0.000 1.318 327 A CA -0.512 51.598 52.037 0.122 0.000 0.894 327 A CB 0.451 19.526 19.000 0.126 0.000 1.165 327 A HN 0.832 nan 8.150 nan 0.000 0.525 328 E N 3.897 124.294 120.200 0.327 0.000 2.115 328 E HA 0.484 4.848 4.350 0.024 0.000 0.282 328 E C -0.740 175.998 176.600 0.231 0.000 0.987 328 E CA -0.394 56.167 56.400 0.269 0.000 0.797 328 E CB 0.548 30.397 29.700 0.248 0.000 1.086 328 E HN 0.627 nan 8.360 nan 0.000 0.397 329 I N 3.607 124.285 120.570 0.180 0.000 2.607 329 I HA 0.332 4.516 4.170 0.024 0.000 0.305 329 I C -0.069 176.156 176.117 0.179 0.000 0.995 329 I CA -0.858 60.553 61.300 0.185 0.000 1.148 329 I CB 1.625 39.658 38.000 0.055 0.000 1.323 329 I HN 0.624 nan 8.210 nan 0.000 0.461 330 Q N 3.034 122.979 119.800 0.243 0.000 2.435 330 Q HA 0.486 4.841 4.340 0.024 0.000 0.282 330 Q C -1.417 174.729 176.000 0.243 0.000 1.020 330 Q CA -1.152 54.773 55.803 0.203 0.000 0.820 330 Q CB 2.905 31.700 28.738 0.095 0.000 1.436 330 Q HN 0.495 nan 8.270 nan 0.000 0.395 331 K N 0.732 121.173 120.400 0.067 0.000 2.174 331 K HA 0.171 4.505 4.320 0.024 0.000 0.275 331 K C -0.116 176.339 176.600 -0.241 0.000 1.015 331 K CA -0.037 56.052 56.287 -0.330 0.000 0.933 331 K CB 1.097 33.221 32.500 -0.627 0.000 1.025 331 K HN 0.685 nan 8.250 nan 0.000 0.463 332 Q N 1.361 120.976 119.800 -0.309 0.000 2.652 332 Q HA 0.218 4.572 4.340 0.024 0.000 0.211 332 Q C 0.506 176.398 176.000 -0.179 0.000 0.858 332 Q CA 0.541 56.232 55.803 -0.186 0.000 0.895 332 Q CB 1.009 29.676 28.738 -0.118 0.000 1.194 332 Q HN 0.838 nan 8.270 nan 0.000 0.645 333 G N 0.137 108.814 108.800 -0.205 0.000 3.108 333 G HA2 0.412 4.386 3.960 0.024 0.000 0.268 333 G HA3 0.412 4.386 3.960 0.024 0.000 0.268 333 G C -1.116 173.670 174.900 -0.190 0.000 1.361 333 G CA -0.575 44.434 45.100 -0.152 0.000 1.047 333 G HN 0.057 nan 8.290 nan 0.000 0.540 334 Q N 0.081 119.808 119.800 -0.121 0.000 2.276 334 Q HA 0.393 4.747 4.340 0.024 0.000 0.267 334 Q C 1.023 176.963 176.000 -0.101 0.000 1.135 334 Q CA 0.874 56.619 55.803 -0.097 0.000 0.910 334 Q CB 0.729 29.442 28.738 -0.043 0.000 1.271 334 Q HN 1.262 nan 8.270 nan 0.000 0.417 335 G N 2.236 110.954 108.800 -0.136 0.000 2.143 335 G HA2 -0.237 3.737 3.960 0.024 0.000 0.249 335 G HA3 -0.237 3.737 3.960 0.024 0.000 0.249 335 G C -0.034 174.815 174.900 -0.084 0.000 0.981 335 G CA -0.334 44.737 45.100 -0.049 0.000 0.665 335 G HN 0.492 nan 8.290 nan 0.000 0.528 336 Q N -0.980 118.650 119.800 -0.284 0.000 2.282 336 Q HA 0.633 4.988 4.340 0.024 0.000 0.260 336 Q C -0.853 174.913 176.000 -0.390 0.000 0.964 336 Q CA -0.244 55.435 55.803 -0.207 0.000 0.880 336 Q CB 1.298 29.947 28.738 -0.149 0.000 1.286 336 Q HN 0.418 nan 8.270 nan 0.000 0.445 337 W N 0.830 122.171 121.300 0.068 0.000 3.042 337 W HA 0.376 5.050 4.660 0.023 0.000 0.337 337 W C -0.399 176.205 176.519 0.143 0.000 1.086 337 W CA -0.602 56.815 57.345 0.121 0.000 1.236 337 W CB 1.728 31.311 29.460 0.206 0.000 1.381 337 W HN 0.430 nan 8.180 nan 0.000 0.472 338 T N 0.112 114.868 114.554 0.337 0.000 2.876 338 T HA 0.790 5.155 4.350 0.024 0.000 0.289 338 T C -1.234 173.613 174.700 0.246 0.000 1.014 338 T CA -0.775 61.434 62.100 0.182 0.000 0.986 338 T CB 1.524 70.418 68.868 0.044 0.000 1.021 338 T HN 0.398 nan 8.240 nan 0.000 0.458 339 Y N 0.022 120.385 120.300 0.104 0.000 2.524 339 Y HA 0.717 5.281 4.550 0.024 0.000 0.347 339 Y C -0.838 175.102 175.900 0.066 0.000 1.005 339 Y CA -1.386 56.766 58.100 0.086 0.000 1.025 339 Y CB 1.613 40.126 38.460 0.088 0.000 1.275 339 Y HN 0.863 nan 8.280 nan 0.000 0.460 340 Q N 3.286 123.205 119.800 0.199 0.000 2.340 340 Q HA 0.744 5.098 4.340 0.024 0.000 0.268 340 Q C -1.477 174.692 176.000 0.282 0.000 1.031 340 Q CA -0.882 54.989 55.803 0.113 0.000 0.804 340 Q CB 2.878 31.599 28.738 -0.029 0.000 1.286 340 Q HN 0.803 nan 8.270 nan 0.000 0.448 341 I N 3.680 124.428 120.570 0.298 0.000 2.378 341 I HA 0.482 4.666 4.170 0.024 0.000 0.291 341 I C -0.971 175.341 176.117 0.325 0.000 0.992 341 I CA -0.988 60.504 61.300 0.320 0.000 1.154 341 I CB 0.737 38.922 38.000 0.309 0.000 1.315 341 I HN 0.729 nan 8.210 nan 0.000 0.448 342 Y N 4.125 124.442 120.300 0.029 0.000 2.829 342 Y HA 0.509 5.073 4.550 0.024 0.000 0.322 342 Y C -0.089 175.795 175.900 -0.027 0.000 1.357 342 Y CA -1.115 56.991 58.100 0.009 0.000 1.081 342 Y CB 0.875 39.334 38.460 -0.003 0.000 1.339 342 Y HN 0.596 nan 8.280 nan 0.000 0.469 343 Q N -1.226 118.490 119.800 -0.140 0.000 2.181 343 Q HA 0.374 4.728 4.340 0.024 0.000 0.244 343 Q C -0.629 175.330 176.000 -0.069 0.000 0.745 343 Q CA -0.275 55.379 55.803 -0.248 0.000 0.934 343 Q CB 1.106 29.756 28.738 -0.146 0.000 1.220 343 Q HN 0.552 nan 8.270 nan 0.000 0.478 344 E N 1.851 122.141 120.200 0.151 0.000 2.222 344 E HA 0.231 4.595 4.350 0.024 0.000 0.272 344 E C -2.011 174.838 176.600 0.415 0.000 0.982 344 E CA -2.162 54.360 56.400 0.203 0.000 0.842 344 E CB 1.751 31.551 29.700 0.166 0.000 1.144 344 E HN -0.095 nan 8.360 nan 0.000 0.397 345 P HA -0.156 nan 4.420 nan 0.000 0.217 345 P C 0.917 178.284 177.300 0.111 0.000 1.151 345 P CA 1.362 64.626 63.100 0.274 0.000 0.849 345 P CB 0.116 31.920 31.700 0.174 0.000 0.787 346 F N -1.002 118.954 119.950 0.010 0.000 2.712 346 F HA 0.295 4.836 4.527 0.024 0.000 0.297 346 F C 0.340 176.112 175.800 -0.047 0.000 1.114 346 F CA -0.261 57.700 58.000 -0.064 0.000 1.305 346 F CB 0.282 39.253 39.000 -0.048 0.000 1.086 346 F HN -0.377 nan 8.300 nan 0.000 0.599 347 K N 2.930 123.509 120.400 0.298 0.000 2.310 347 K HA 0.160 4.494 4.320 0.024 0.000 0.290 347 K C -0.668 176.015 176.600 0.139 0.000 1.077 347 K CA -0.356 56.064 56.287 0.222 0.000 0.922 347 K CB 0.187 32.831 32.500 0.240 0.000 1.057 347 K HN 0.111 nan 8.250 nan 0.000 0.479 348 N N 3.000 121.714 118.700 0.023 0.000 2.508 348 N HA 0.137 4.892 4.740 0.024 0.000 0.285 348 N C 0.725 176.340 175.510 0.175 0.000 1.144 348 N CA -0.409 52.686 53.050 0.074 0.000 0.978 348 N CB 1.293 39.742 38.487 -0.062 0.000 1.180 348 N HN 0.261 nan 8.380 nan 0.000 0.484 349 L N 0.349 121.726 121.223 0.257 0.000 2.189 349 L HA 0.205 4.559 4.340 0.024 0.000 0.199 349 L C 0.663 177.821 176.870 0.479 0.000 1.074 349 L CA 1.269 56.344 54.840 0.390 0.000 0.783 349 L CB -0.283 42.009 42.059 0.388 0.000 0.955 349 L HN 0.623 nan 8.230 nan 0.000 0.460 350 K N 0.318 120.914 120.400 0.327 0.000 2.606 350 K HA 0.188 4.523 4.320 0.024 0.000 0.259 350 K C -0.666 175.994 176.600 0.101 0.000 1.001 350 K CA -0.180 56.260 56.287 0.255 0.000 0.881 350 K CB 1.495 34.106 32.500 0.186 0.000 1.288 350 K HN 0.123 nan 8.250 nan 0.000 0.452 351 T N 0.347 114.884 114.554 -0.029 0.000 2.816 351 T HA 0.777 5.141 4.350 0.024 0.000 0.282 351 T C 0.574 175.030 174.700 -0.408 0.000 0.993 351 T CA -0.215 61.773 62.100 -0.186 0.000 0.994 351 T CB 1.609 70.372 68.868 -0.176 0.000 1.025 351 T HN 0.634 nan 8.240 nan 0.000 0.529 352 G N -0.395 107.837 108.800 -0.947 0.000 2.921 352 G HA2 0.646 4.620 3.960 0.024 0.000 0.291 352 G HA3 0.646 4.620 3.960 0.024 0.000 0.291 352 G C -1.665 172.826 174.900 -0.681 0.000 1.370 352 G CA -1.086 43.325 45.100 -1.149 0.000 0.847 352 G HN 0.877 nan 8.290 nan 0.000 0.532 353 K N -0.644 119.646 120.400 -0.183 0.000 2.616 353 K HA 0.406 4.740 4.320 0.024 0.000 0.255 353 K C -2.467 174.325 176.600 0.320 0.000 0.995 353 K CA -0.725 55.624 56.287 0.104 0.000 0.860 353 K CB 2.168 34.684 32.500 0.028 0.000 1.264 353 K HN 0.531 nan 8.250 nan 0.000 0.451 354 Y N 2.543 123.007 120.300 0.272 0.000 2.341 354 Y HA 0.660 5.225 4.550 0.024 0.000 0.338 354 Y C -1.435 174.612 175.900 0.245 0.000 0.965 354 Y CA -0.430 57.797 58.100 0.211 0.000 1.108 354 Y CB 2.143 40.678 38.460 0.126 0.000 1.180 354 Y HN 0.634 nan 8.280 nan 0.000 0.458 355 A N 7.381 129.979 122.820 -0.370 0.000 2.768 355 A HA 0.690 5.024 4.320 0.024 0.000 0.298 355 A C -1.048 176.325 177.584 -0.353 0.000 1.159 355 A CA -0.632 51.262 52.037 -0.237 0.000 0.783 355 A CB 0.545 19.505 19.000 -0.067 0.000 1.333 355 A HN 0.799 nan 8.150 nan 0.000 0.412 356 R N 1.346 121.574 120.500 -0.455 0.000 2.740 356 R HA 0.573 4.928 4.340 0.024 0.000 0.273 356 R C -1.096 175.145 176.300 -0.098 0.000 0.998 356 R CA -0.935 55.002 56.100 -0.271 0.000 0.900 356 R CB 1.802 31.910 30.300 -0.320 0.000 1.223 356 R HN 0.554 nan 8.270 nan 0.000 0.466 357 M N 2.768 122.343 119.600 -0.043 0.000 2.385 357 M HA 0.283 4.777 4.480 0.024 0.000 0.346 357 M C -0.261 176.045 176.300 0.010 0.000 1.180 357 M CA -0.365 54.936 55.300 0.001 0.000 1.154 357 M CB 0.711 33.306 32.600 -0.008 0.000 1.251 357 M HN 0.201 nan 8.290 nan 0.000 0.430 358 R N 1.940 122.464 120.500 0.041 0.000 2.893 358 R HA 0.456 4.810 4.340 0.024 0.000 0.243 358 R C 0.447 176.769 176.300 0.036 0.000 1.481 358 R CA 0.205 56.334 56.100 0.048 0.000 1.250 358 R CB -0.590 29.761 30.300 0.084 0.000 1.213 358 R HN 0.933 nan 8.270 nan 0.000 0.609 359 G N 0.005 108.807 108.800 0.003 0.000 2.555 359 G HA2 -0.147 3.827 3.960 0.024 0.000 0.686 359 G HA3 -0.147 3.827 3.960 0.024 0.000 0.686 359 G C 0.360 175.196 174.900 -0.106 0.000 1.275 359 G CA -0.416 44.664 45.100 -0.033 0.000 0.871 359 G HN 0.372 nan 8.290 nan 0.000 0.603 360 A N -0.311 122.354 122.820 -0.259 0.000 1.930 360 A HA 0.288 4.623 4.320 0.024 0.000 0.215 360 A C 0.989 178.217 177.584 -0.594 0.000 1.176 360 A CA 1.902 53.637 52.037 -0.503 0.000 0.632 360 A CB -0.224 18.312 19.000 -0.775 0.000 0.819 360 A HN 1.095 nan 8.150 nan 0.000 0.445 361 H N 0.477 119.599 119.070 0.086 0.000 2.675 361 H HA 0.295 4.864 4.556 0.023 0.000 0.258 361 H C 0.345 175.732 175.328 0.098 0.000 1.271 361 H CA 0.143 56.248 56.048 0.096 0.000 1.462 361 H CB -0.213 29.618 29.762 0.115 0.000 1.467 361 H HN 0.431 nan 8.280 nan 0.000 0.501 362 T N -0.452 114.184 114.554 0.137 0.000 3.717 362 T HA 0.205 4.570 4.350 0.024 0.000 0.326 362 T C 0.503 175.265 174.700 0.103 0.000 1.248 362 T CA -0.439 61.733 62.100 0.121 0.000 0.896 362 T CB 0.884 69.820 68.868 0.113 0.000 2.155 362 T HN 0.465 nan 8.240 nan 0.000 0.537 363 N N -1.294 117.457 118.700 0.084 0.000 3.322 363 N HA 0.186 4.940 4.740 0.024 0.000 0.233 363 N C -0.760 174.782 175.510 0.053 0.000 1.399 363 N CA -0.354 52.706 53.050 0.016 0.000 0.894 363 N CB 1.482 39.918 38.487 -0.085 0.000 1.440 363 N HN 0.446 nan 8.380 nan 0.000 0.503 364 D N 0.336 120.729 120.400 -0.012 0.000 2.144 364 D HA -0.039 4.616 4.640 0.024 0.000 0.200 364 D C 1.804 178.183 176.300 0.132 0.000 0.978 364 D CA 1.756 55.812 54.000 0.093 0.000 0.833 364 D CB 0.119 40.868 40.800 -0.086 0.000 0.961 364 D HN 0.435 nan 8.370 nan 0.000 0.470 365 V N -0.871 119.040 119.914 -0.006 0.000 2.788 365 V HA 0.014 4.149 4.120 0.024 0.000 0.251 365 V C 2.109 178.302 176.094 0.165 0.000 1.068 365 V CA 0.943 63.289 62.300 0.077 0.000 1.090 365 V CB -0.530 31.345 31.823 0.087 0.000 0.710 365 V HN -0.025 nan 8.190 nan 0.000 0.467 366 K N -0.043 120.453 120.400 0.160 0.000 2.155 366 K HA -0.110 4.225 4.320 0.024 0.000 0.203 366 K C 2.322 178.947 176.600 0.042 0.000 1.052 366 K CA 1.375 57.748 56.287 0.144 0.000 0.948 366 K CB -0.052 32.535 32.500 0.145 0.000 0.728 366 K HN 0.576 nan 8.250 nan 0.000 0.448 367 Q N 0.190 120.021 119.800 0.052 0.000 2.163 367 Q HA -0.048 4.306 4.340 0.024 0.000 0.198 367 Q C 2.099 177.875 176.000 -0.374 0.000 0.954 367 Q CA 0.663 56.474 55.803 0.013 0.000 0.851 367 Q CB 0.121 29.047 28.738 0.313 0.000 0.928 367 Q HN 0.311 nan 8.270 nan 0.000 0.459 368 L N 0.348 121.296 121.223 -0.457 0.000 2.141 368 L HA -0.162 4.193 4.340 0.024 0.000 0.209 368 L C 2.086 178.598 176.870 -0.597 0.000 1.094 368 L CA 1.097 55.476 54.840 -0.769 0.000 0.763 368 L CB -0.183 41.574 42.059 -0.504 0.000 0.908 368 L HN 0.190 nan 8.230 nan 0.000 0.437 369 T N 0.214 114.558 114.554 -0.349 0.000 2.622 369 T HA -0.236 4.128 4.350 0.024 0.000 0.266 369 T C 1.559 175.998 174.700 -0.434 0.000 1.047 369 T CA 1.938 63.840 62.100 -0.330 0.000 1.159 369 T CB -0.282 68.509 68.868 -0.129 0.000 0.863 369 T HN 0.631 nan 8.240 nan 0.000 0.422 370 E N 1.483 121.457 120.200 -0.378 0.000 2.268 370 E HA 0.039 4.403 4.350 0.024 0.000 0.195 370 E C 2.174 178.270 176.600 -0.839 0.000 0.995 370 E CA 0.904 57.041 56.400 -0.439 0.000 0.836 370 E CB -0.237 29.333 29.700 -0.217 0.000 0.763 370 E HN 0.488 nan 8.360 nan 0.000 0.491 371 A N 1.252 123.480 122.820 -0.987 0.000 2.167 371 A HA 0.070 4.404 4.320 0.024 0.000 0.214 371 A C 2.257 179.286 177.584 -0.924 0.000 1.151 371 A CA 0.420 51.696 52.037 -1.268 0.000 0.735 371 A CB -0.076 18.224 19.000 -1.167 0.000 0.802 371 A HN 0.175 nan 8.150 nan 0.000 0.467 372 V N -0.493 118.932 119.914 -0.815 0.000 2.426 372 V HA -0.180 3.954 4.120 0.024 0.000 0.242 372 V C 2.309 178.044 176.094 -0.599 0.000 1.036 372 V CA 1.742 63.544 62.300 -0.830 0.000 1.044 372 V CB -0.585 30.630 31.823 -1.013 0.000 0.688 372 V HN 0.620 nan 8.190 nan 0.000 0.462 373 Q N -0.104 119.398 119.800 -0.497 0.000 2.500 373 Q HA -0.157 4.198 4.340 0.024 0.000 0.213 373 Q C 2.119 177.948 176.000 -0.284 0.000 0.974 373 Q CA 0.798 56.408 55.803 -0.321 0.000 0.918 373 Q CB -0.053 28.535 28.738 -0.250 0.000 0.980 373 Q HN 0.378 nan 8.270 nan 0.000 0.505 374 K N 0.885 121.042 120.400 -0.406 0.000 2.211 374 K HA -0.022 4.312 4.320 0.024 0.000 0.201 374 K C 1.535 177.985 176.600 -0.251 0.000 1.052 374 K CA 0.617 56.719 56.287 -0.308 0.000 0.973 374 K CB 0.264 32.513 32.500 -0.419 0.000 0.766 374 K HN 0.169 nan 8.250 nan 0.000 0.466 375 I N 0.938 121.293 120.570 -0.359 0.000 2.500 375 I HA -0.148 4.037 4.170 0.024 0.000 0.252 375 I C 2.154 178.216 176.117 -0.092 0.000 1.142 375 I CA 0.915 62.040 61.300 -0.292 0.000 1.451 375 I CB -0.240 37.485 38.000 -0.459 0.000 1.093 375 I HN 0.045 nan 8.210 nan 0.000 0.430 376 T N -0.075 114.440 114.554 -0.065 0.000 2.639 376 T HA -0.148 4.217 4.350 0.024 0.000 0.261 376 T C 1.551 176.241 174.700 -0.016 0.000 1.053 376 T CA 2.000 64.110 62.100 0.016 0.000 1.158 376 T CB -0.480 68.399 68.868 0.018 0.000 0.863 376 T HN 0.292 nan 8.240 nan 0.000 0.413 377 T N 1.579 116.107 114.554 -0.044 0.000 3.570 377 T HA 0.038 4.402 4.350 0.024 0.000 0.258 377 T C 1.096 175.773 174.700 -0.038 0.000 1.178 377 T CA 0.719 62.800 62.100 -0.032 0.000 1.002 377 T CB -0.193 68.654 68.868 -0.034 0.000 0.993 377 T HN 0.295 nan 8.240 nan 0.000 0.567 378 E N -0.529 119.643 120.200 -0.047 0.000 2.665 378 E HA 0.219 4.584 4.350 0.024 0.000 0.225 378 E C 1.788 178.328 176.600 -0.099 0.000 0.922 378 E CA -0.003 56.357 56.400 -0.067 0.000 1.242 378 E CB -0.007 29.664 29.700 -0.049 0.000 1.197 378 E HN 0.169 nan 8.360 nan 0.000 0.581 379 S N -0.440 115.238 115.700 -0.037 0.000 2.492 379 S HA 0.211 4.696 4.470 0.024 0.000 0.218 379 S C 1.562 176.188 174.600 0.043 0.000 1.016 379 S CA 0.039 58.260 58.200 0.034 0.000 0.916 379 S CB 0.059 63.342 63.200 0.138 0.000 0.791 379 S HN 0.269 nan 8.310 nan 0.000 0.513 380 I N 1.326 121.899 120.570 0.005 0.000 2.286 380 I HA -0.064 4.121 4.170 0.024 0.000 0.245 380 I C 2.112 178.208 176.117 -0.036 0.000 1.104 380 I CA 0.905 62.212 61.300 0.012 0.000 1.397 380 I CB -0.711 37.296 38.000 0.012 0.000 1.072 380 I HN 0.178 nan 8.210 nan 0.000 0.417 381 V N 1.579 121.444 119.914 -0.081 0.000 2.407 381 V HA -0.251 3.883 4.120 0.024 0.000 0.248 381 V C 2.343 178.314 176.094 -0.205 0.000 1.055 381 V CA 1.545 63.780 62.300 -0.108 0.000 1.049 381 V CB -0.397 31.365 31.823 -0.102 0.000 0.662 381 V HN 0.313 nan 8.190 nan 0.000 0.455 382 I N -2.456 117.873 120.570 -0.401 0.000 2.585 382 I HA 0.025 4.209 4.170 0.024 0.000 0.254 382 I C 0.642 176.284 176.117 -0.792 0.000 1.129 382 I CA 0.914 61.745 61.300 -0.783 0.000 1.455 382 I CB -0.101 36.964 38.000 -1.559 0.000 1.111 382 I HN 0.346 nan 8.210 nan 0.000 0.433 383 W N 0.396 121.601 121.300 -0.159 0.000 3.022 383 W HA 0.423 5.097 4.660 0.024 0.000 0.335 383 W C 0.629 177.082 176.519 -0.109 0.000 1.133 383 W CA -1.169 56.056 57.345 -0.200 0.000 1.219 383 W CB 1.159 30.389 29.460 -0.383 0.000 1.409 383 W HN -0.124 nan 8.180 nan 0.000 0.507 384 G N 1.709 110.601 108.800 0.153 0.000 3.375 384 G HA2 0.147 4.121 3.960 0.024 0.000 0.247 384 G HA3 0.147 4.121 3.960 0.024 0.000 0.247 384 G C 0.095 175.042 174.900 0.077 0.000 1.343 384 G CA -0.026 45.129 45.100 0.091 0.000 1.368 384 G HN 0.315 nan 8.290 nan 0.000 0.549 385 K N -1.244 119.207 120.400 0.084 0.000 2.502 385 K HA 0.561 4.895 4.320 0.024 0.000 0.257 385 K C -0.881 175.730 176.600 0.018 0.000 0.938 385 K CA -0.859 55.451 56.287 0.038 0.000 0.819 385 K CB 1.291 33.798 32.500 0.012 0.000 1.333 385 K HN -0.031 nan 8.250 nan 0.000 0.434 386 T N 0.280 114.827 114.554 -0.012 0.000 2.728 386 T HA 0.354 4.718 4.350 0.024 0.000 0.296 386 T C -1.564 173.030 174.700 -0.177 0.000 0.940 386 T CA -1.415 60.655 62.100 -0.050 0.000 1.013 386 T CB 0.500 69.369 68.868 0.003 0.000 0.912 386 T HN 0.523 nan 8.240 nan 0.000 0.484 387 P HA 0.269 nan 4.420 nan 0.000 0.273 387 P C -0.461 176.385 177.300 -0.756 0.000 1.250 387 P CA -0.665 62.156 63.100 -0.465 0.000 0.793 387 P CB 0.936 32.375 31.700 -0.434 0.000 1.011 388 K N 0.168 120.225 120.400 -0.573 0.000 2.154 388 K HA 0.432 4.767 4.320 0.024 0.000 0.264 388 K C -0.381 175.869 176.600 -0.585 0.000 1.008 388 K CA -0.170 55.829 56.287 -0.480 0.000 0.937 388 K CB 0.320 32.672 32.500 -0.247 0.000 1.002 388 K HN 0.315 nan 8.250 nan 0.000 0.469 389 F N 1.049 120.976 119.950 -0.038 0.000 2.522 389 F HA 0.332 4.874 4.527 0.024 0.000 0.324 389 F C 0.429 176.266 175.800 0.061 0.000 1.077 389 F CA -0.959 57.033 58.000 -0.012 0.000 0.944 389 F CB 1.389 40.352 39.000 -0.063 0.000 1.175 389 F HN 0.047 nan 8.300 nan 0.000 0.468 390 K N 4.610 125.178 120.400 0.279 0.000 2.432 390 K HA 0.404 4.738 4.320 0.024 0.000 0.226 390 K C -0.926 175.775 176.600 0.167 0.000 1.057 390 K CA -0.096 56.316 56.287 0.208 0.000 1.034 390 K CB 0.710 33.322 32.500 0.187 0.000 1.561 390 K HN 0.579 nan 8.250 nan 0.000 0.492 391 L N 2.449 123.768 121.223 0.160 0.000 2.350 391 L HA 0.344 4.698 4.340 0.024 0.000 0.275 391 L C -2.045 174.903 176.870 0.130 0.000 1.099 391 L CA -2.118 52.743 54.840 0.034 0.000 0.808 391 L CB 0.842 42.766 42.059 -0.226 0.000 1.149 391 L HN 0.059 nan 8.230 nan 0.000 0.442 392 P HA 0.379 nan 4.420 nan 0.000 0.226 392 P C -0.824 176.636 177.300 0.267 0.000 1.832 392 P CA 0.130 63.365 63.100 0.225 0.000 1.092 392 P CB 0.208 31.992 31.700 0.140 0.000 1.873 393 I N 0.460 121.246 120.570 0.360 0.000 2.787 393 I HA 0.338 4.523 4.170 0.024 0.000 0.294 393 I C -1.261 174.738 176.117 -0.198 0.000 1.365 393 I CA -1.142 60.162 61.300 0.007 0.000 1.029 393 I CB 2.519 40.398 38.000 -0.201 0.000 1.313 393 I HN -0.098 nan 8.210 nan 0.000 0.431 394 Q N 5.178 124.702 119.800 -0.460 0.000 2.327 394 Q HA 0.238 4.592 4.340 0.024 0.000 0.254 394 Q C 0.381 176.379 176.000 -0.002 0.000 0.952 394 Q CA 0.114 55.594 55.803 -0.539 0.000 0.884 394 Q CB 1.532 29.996 28.738 -0.456 0.000 1.224 394 Q HN 0.572 nan 8.270 nan 0.000 0.422 395 K N 2.341 122.843 120.400 0.170 0.000 2.280 395 K HA -0.173 4.161 4.320 0.024 0.000 0.202 395 K C 0.787 177.584 176.600 0.327 0.000 1.047 395 K CA 1.259 57.801 56.287 0.426 0.000 0.942 395 K CB 0.328 32.964 32.500 0.227 0.000 0.739 395 K HN 0.566 nan 8.250 nan 0.000 0.457 396 E N -0.472 119.825 120.200 0.161 0.000 2.318 396 E HA -0.027 4.338 4.350 0.024 0.000 0.193 396 E C 1.633 178.304 176.600 0.117 0.000 0.998 396 E CA 0.803 57.284 56.400 0.135 0.000 0.859 396 E CB 0.136 29.874 29.700 0.064 0.000 0.812 396 E HN 0.134 nan 8.360 nan 0.000 0.492 397 T N 0.188 114.789 114.554 0.077 0.000 2.821 397 T HA -0.131 4.233 4.350 0.024 0.000 0.267 397 T C 1.260 176.010 174.700 0.084 0.000 1.046 397 T CA 0.902 63.009 62.100 0.011 0.000 1.139 397 T CB -0.199 68.628 68.868 -0.068 0.000 0.871 397 T HN 0.398 nan 8.240 nan 0.000 0.454 398 W N 2.114 123.452 121.300 0.063 0.000 2.443 398 W HA 0.055 4.729 4.660 0.024 0.000 0.296 398 W C 2.011 178.725 176.519 0.325 0.000 1.202 398 W CA 0.823 58.237 57.345 0.115 0.000 1.312 398 W CB -0.237 29.208 29.460 -0.025 0.000 1.120 398 W HN 0.338 nan 8.180 nan 0.000 0.536 399 E N 0.084 120.567 120.200 0.471 0.000 2.085 399 E HA -0.257 4.108 4.350 0.024 0.000 0.194 399 E C 2.068 178.874 176.600 0.343 0.000 0.994 399 E CA 2.775 59.504 56.400 0.548 0.000 0.801 399 E CB -0.201 29.744 29.700 0.408 0.000 0.743 399 E HN 0.214 nan 8.360 nan 0.000 0.453 400 T N -2.274 112.396 114.554 0.195 0.000 3.035 400 T HA -0.142 4.222 4.350 0.024 0.000 0.268 400 T C 1.430 176.218 174.700 0.146 0.000 1.109 400 T CA 0.513 62.683 62.100 0.116 0.000 1.119 400 T CB -0.538 68.352 68.868 0.036 0.000 0.900 400 T HN 0.433 nan 8.240 nan 0.000 0.503 401 W N 1.570 122.769 121.300 -0.167 0.000 2.376 401 W HA -0.041 4.633 4.660 0.023 0.000 0.324 401 W C 1.790 178.207 176.519 -0.171 0.000 1.191 401 W CA 0.387 57.529 57.345 -0.340 0.000 1.282 401 W CB -0.017 29.001 29.460 -0.737 0.000 1.185 401 W HN 0.418 nan 8.180 nan 0.000 0.458 402 W N 2.106 123.191 121.300 -0.359 0.000 3.216 402 W HA 0.115 4.789 4.660 0.023 0.000 0.247 402 W C 0.966 177.424 176.519 -0.101 0.000 1.326 402 W CA 1.047 58.186 57.345 -0.343 0.000 1.564 402 W CB -2.288 26.949 29.460 -0.372 0.000 1.113 402 W HN -0.086 nan 8.180 nan 0.000 0.722 403 T N -2.768 111.825 114.554 0.066 0.000 3.000 403 T HA 0.125 4.489 4.350 0.024 0.000 0.248 403 T C 1.089 175.815 174.700 0.043 0.000 1.034 403 T CA 0.469 62.538 62.100 -0.052 0.000 1.060 403 T CB -0.111 68.723 68.868 -0.057 0.000 0.983 403 T HN 0.199 nan 8.240 nan 0.000 0.482 404 E N -0.115 120.162 120.200 0.128 0.000 2.548 404 E HA 0.244 4.609 4.350 0.024 0.000 0.206 404 E C -0.976 175.756 176.600 0.221 0.000 1.005 404 E CA -0.415 56.078 56.400 0.156 0.000 0.951 404 E CB 0.497 30.273 29.700 0.128 0.000 1.035 404 E HN 0.397 nan 8.360 nan 0.000 0.470 405 Y N 0.053 120.332 120.300 -0.035 0.000 2.457 405 Y HA 0.185 4.749 4.550 0.024 0.000 0.333 405 Y C 0.154 175.927 175.900 -0.210 0.000 1.119 405 Y CA -2.061 55.850 58.100 -0.314 0.000 1.143 405 Y CB 0.542 38.686 38.460 -0.526 0.000 1.230 405 Y HN -0.031 nan 8.280 nan 0.000 0.469 406 W N 0.205 121.197 121.300 -0.513 0.000 2.580 406 W HA 0.249 4.925 4.660 0.027 0.000 0.287 406 W C -0.103 176.105 176.519 -0.519 0.000 1.175 406 W CA -0.039 57.050 57.345 -0.427 0.000 1.409 406 W CB -0.376 28.907 29.460 -0.296 0.000 1.101 406 W HN 0.210 nan 8.180 nan 0.000 0.558 407 Q N 1.916 121.184 119.800 -0.886 0.000 2.296 407 Q HA 0.361 4.716 4.340 0.024 0.000 0.263 407 Q C 0.253 176.042 176.000 -0.351 0.000 1.026 407 Q CA 0.152 55.681 55.803 -0.455 0.000 0.912 407 Q CB 0.895 29.411 28.738 -0.371 0.000 1.198 407 Q HN 0.233 nan 8.270 nan 0.000 0.407 408 A N 3.531 126.274 122.820 -0.129 0.000 2.561 408 A HA 0.338 4.672 4.320 0.024 0.000 0.234 408 A C 0.540 178.149 177.584 0.041 0.000 1.055 408 A CA 0.445 52.477 52.037 -0.009 0.000 0.756 408 A CB 0.045 19.067 19.000 0.037 0.000 0.986 408 A HN 0.820 nan 8.150 nan 0.000 0.505 409 T N -1.532 113.115 114.554 0.154 0.000 2.787 409 T HA 0.687 5.051 4.350 0.024 0.000 0.297 409 T C -1.019 173.927 174.700 0.409 0.000 1.221 409 T CA -0.507 61.692 62.100 0.165 0.000 1.006 409 T CB 1.210 70.048 68.868 -0.050 0.000 1.328 409 T HN 1.790 nan 8.240 nan 0.000 0.509 410 W N 0.265 121.605 121.300 0.067 0.000 3.338 410 W HA 0.624 5.298 4.660 0.023 0.000 0.299 410 W C -2.865 173.523 176.519 -0.219 0.000 1.226 410 W CA -1.141 56.172 57.345 -0.053 0.000 1.183 410 W CB 0.798 30.299 29.460 0.068 0.000 1.360 410 W HN 0.818 nan 8.180 nan 0.000 0.569 411 I N 5.046 124.612 120.570 -1.672 0.000 2.582 411 I HA 0.299 4.483 4.170 0.024 0.000 0.292 411 I C -1.920 173.150 176.117 -1.744 0.000 1.066 411 I CA -2.126 58.244 61.300 -1.549 0.000 1.053 411 I CB 1.865 39.002 38.000 -1.437 0.000 1.241 411 I HN 0.137 nan 8.210 nan 0.000 0.421 412 P HA -0.024 nan 4.420 nan 0.000 0.302 412 P C -0.501 176.752 177.300 -0.079 0.000 1.301 412 P CA -0.143 62.650 63.100 -0.511 0.000 0.770 412 P CB 0.286 31.928 31.700 -0.097 0.000 1.458 413 E N 0.517 120.725 120.200 0.014 0.000 2.341 413 E HA 0.013 4.377 4.350 0.024 0.000 0.256 413 E C -0.505 176.111 176.600 0.027 0.000 1.125 413 E CA 0.311 56.678 56.400 -0.054 0.000 0.939 413 E CB -0.211 29.457 29.700 -0.054 0.000 0.991 413 E HN 0.366 nan 8.360 nan 0.000 0.458 414 W N 2.561 123.824 121.300 -0.061 0.000 2.962 414 W HA 0.577 5.251 4.660 0.024 0.000 0.341 414 W C -0.452 176.059 176.519 -0.014 0.000 1.155 414 W CA -0.902 56.423 57.345 -0.033 0.000 1.165 414 W CB 0.639 30.021 29.460 -0.130 0.000 1.435 414 W HN 0.278 nan 8.180 nan 0.000 0.546 415 E N 0.466 120.872 120.200 0.344 0.000 2.518 415 E HA 0.512 4.876 4.350 0.024 0.000 0.241 415 E C -1.786 175.152 176.600 0.563 0.000 0.899 415 E CA -1.115 55.446 56.400 0.267 0.000 0.888 415 E CB 2.276 32.064 29.700 0.145 0.000 1.426 415 E HN 0.234 nan 8.360 nan 0.000 0.401 416 F N 1.782 121.880 119.950 0.246 0.000 2.430 416 F HA 0.355 4.896 4.527 0.024 0.000 0.362 416 F C -1.144 174.736 175.800 0.134 0.000 1.103 416 F CA -1.023 57.111 58.000 0.224 0.000 1.045 416 F CB 0.850 39.980 39.000 0.215 0.000 1.276 416 F HN 0.078 nan 8.300 nan 0.000 0.444 417 V N 7.202 127.006 119.914 -0.183 0.000 2.432 417 V HA 0.332 4.466 4.120 0.024 0.000 0.275 417 V C -0.137 175.569 176.094 -0.646 0.000 1.043 417 V CA -0.425 61.682 62.300 -0.322 0.000 0.925 417 V CB 0.902 32.678 31.823 -0.078 0.000 0.985 417 V HN 0.757 nan 8.190 nan 0.000 0.466 418 N N 4.762 123.025 118.700 -0.728 0.000 2.968 418 N HA 0.146 4.900 4.740 0.024 0.000 0.271 418 N C -0.522 174.867 175.510 -0.203 0.000 1.174 418 N CA 0.218 52.926 53.050 -0.571 0.000 1.096 418 N CB 0.422 38.648 38.487 -0.435 0.000 1.403 418 N HN 0.778 nan 8.380 nan 0.000 0.522 419 T N 2.601 117.085 114.554 -0.116 0.000 2.906 419 T HA 0.433 4.797 4.350 0.024 0.000 0.302 419 T C -2.788 171.910 174.700 -0.004 0.000 1.002 419 T CA -1.731 60.340 62.100 -0.048 0.000 0.988 419 T CB 0.959 69.801 68.868 -0.044 0.000 0.972 419 T HN 0.138 nan 8.240 nan 0.000 0.447 420 P HA 0.252 nan 4.420 nan 0.000 0.268 420 P C -2.395 174.902 177.300 -0.005 0.000 1.204 420 P CA -0.894 62.214 63.100 0.014 0.000 0.768 420 P CB -0.004 31.706 31.700 0.016 0.000 0.842 421 P HA 0.208 nan 4.420 nan 0.000 0.286 421 P C -0.845 176.464 177.300 0.015 0.000 1.269 421 P CA -0.441 62.659 63.100 0.001 0.000 0.787 421 P CB 0.761 32.448 31.700 -0.022 0.000 0.920 422 L N 1.481 122.734 121.223 0.051 0.000 2.278 422 L HA 0.392 4.746 4.340 0.024 0.000 0.287 422 L C 0.245 177.116 176.870 0.001 0.000 1.072 422 L CA -1.089 53.805 54.840 0.090 0.000 0.819 422 L CB 0.402 42.580 42.059 0.198 0.000 1.176 422 L HN 0.013 nan 8.230 nan 0.000 0.435 423 V N 4.535 124.441 119.914 -0.012 0.000 2.557 423 V HA 0.071 4.206 4.120 0.024 0.000 0.301 423 V C 0.496 176.470 176.094 -0.200 0.000 1.026 423 V CA 0.311 62.544 62.300 -0.111 0.000 1.137 423 V CB 0.078 31.902 31.823 0.002 0.000 0.917 423 V HN 1.022 nan 8.190 nan 0.000 0.484 424 K N 4.607 124.773 120.400 -0.391 0.000 2.527 424 K HA 0.641 4.976 4.320 0.024 0.000 0.260 424 K C -1.287 174.953 176.600 -0.600 0.000 0.937 424 K CA -0.991 55.050 56.287 -0.409 0.000 0.826 424 K CB 2.082 34.392 32.500 -0.315 0.000 1.359 424 K HN 0.422 nan 8.250 nan 0.000 0.434 425 L N 4.098 125.049 121.223 -0.453 0.000 2.325 425 L HA 0.156 4.510 4.340 0.024 0.000 0.284 425 L C 0.475 177.172 176.870 -0.288 0.000 1.089 425 L CA -0.608 53.951 54.840 -0.469 0.000 0.836 425 L CB 0.171 41.922 42.059 -0.514 0.000 1.184 425 L HN 0.757 nan 8.230 nan 0.000 0.444 426 W N 3.888 125.104 121.300 -0.141 0.000 2.316 426 W HA -0.206 4.468 4.660 0.023 0.000 0.324 426 W C 1.031 177.560 176.519 0.017 0.000 1.196 426 W CA 0.831 58.157 57.345 -0.032 0.000 1.232 426 W CB -0.796 28.691 29.460 0.045 0.000 1.191 426 W HN 0.500 nan 8.180 nan 0.000 0.453 427 Y N 0.192 120.598 120.300 0.177 0.000 2.408 427 Y HA 0.541 5.105 4.550 0.023 0.000 0.324 427 Y C -0.166 175.739 175.900 0.009 0.000 1.302 427 Y CA -1.232 56.911 58.100 0.071 0.000 1.384 427 Y CB 0.205 38.696 38.460 0.052 0.000 1.367 427 Y HN 0.086 nan 8.280 nan 0.000 0.525 428 Q N 1.732 121.669 119.800 0.230 0.000 2.281 428 Q HA 0.391 4.746 4.340 0.024 0.000 0.263 428 Q C -2.044 174.064 176.000 0.180 0.000 0.989 428 Q CA -0.587 55.245 55.803 0.048 0.000 0.852 428 Q CB 1.799 30.537 28.738 0.000 0.000 1.337 428 Q HN 0.959 nan 8.270 nan 0.000 0.418 429 L N 1.790 123.108 121.223 0.159 0.000 2.464 429 L HA 0.330 4.684 4.340 0.024 0.000 0.264 429 L C 0.506 177.460 176.870 0.141 0.000 1.199 429 L CA -0.198 54.742 54.840 0.168 0.000 0.818 429 L CB 0.549 42.696 42.059 0.147 0.000 1.102 429 L HN 0.565 nan 8.230 nan 0.000 0.473 430 E N 0.753 121.059 120.200 0.177 0.000 2.191 430 E HA 0.133 4.497 4.350 0.024 0.000 0.278 430 E C 0.098 176.877 176.600 0.298 0.000 0.972 430 E CA -0.407 56.118 56.400 0.208 0.000 0.804 430 E CB 1.884 31.713 29.700 0.216 0.000 1.110 430 E HN 0.344 nan 8.360 nan 0.000 0.394 431 K N 1.341 121.876 120.400 0.226 0.000 2.148 431 K HA -0.031 4.303 4.320 0.024 0.000 0.204 431 K C 0.396 177.198 176.600 0.337 0.000 1.050 431 K CA 1.029 57.462 56.287 0.244 0.000 0.942 431 K CB 0.243 32.833 32.500 0.149 0.000 0.724 431 K HN 0.343 nan 8.250 nan 0.000 0.446 432 E N 0.469 120.778 120.200 0.182 0.000 2.207 432 E HA 0.254 4.618 4.350 0.024 0.000 0.270 432 E C -2.528 173.753 176.600 -0.531 0.000 0.927 432 E CA -2.637 53.716 56.400 -0.078 0.000 0.799 432 E CB 1.103 30.770 29.700 -0.054 0.000 1.172 432 E HN -0.068 nan 8.360 nan 0.000 0.404 433 P HA 0.077 nan 4.420 nan 0.000 0.268 433 P C -0.346 176.711 177.300 -0.404 0.000 1.208 433 P CA -0.192 62.236 63.100 -1.120 0.000 0.777 433 P CB 0.559 31.824 31.700 -0.724 0.000 0.875 434 I N 1.617 122.059 120.570 -0.213 0.000 2.498 434 I HA 0.255 4.440 4.170 0.024 0.000 0.301 434 I C 0.490 176.579 176.117 -0.046 0.000 0.984 434 I CA -1.352 59.905 61.300 -0.072 0.000 1.204 434 I CB 0.825 38.830 38.000 0.008 0.000 1.362 434 I HN 0.070 nan 8.210 nan 0.000 0.471 435 V N 3.113 123.009 119.914 -0.029 0.000 2.539 435 V HA 0.685 4.820 4.120 0.024 0.000 0.292 435 V C 0.974 177.068 176.094 0.000 0.000 1.045 435 V CA -0.183 62.107 62.300 -0.016 0.000 0.945 435 V CB 0.680 32.493 31.823 -0.017 0.000 0.993 435 V HN 1.099 nan 8.190 nan 0.000 0.464 436 G N 2.672 111.475 108.800 0.004 0.000 2.171 436 G HA2 0.123 4.098 3.960 0.024 0.000 0.238 436 G HA3 0.123 4.098 3.960 0.024 0.000 0.238 436 G C 0.014 174.926 174.900 0.021 0.000 1.039 436 G CA 0.204 45.310 45.100 0.010 0.000 0.759 436 G HN 1.607 nan 8.290 nan 0.000 0.501 437 A N -0.682 122.156 122.820 0.030 0.000 2.435 437 A HA 0.815 5.150 4.320 0.024 0.000 0.304 437 A C -0.073 177.542 177.584 0.051 0.000 1.064 437 A CA -0.361 51.710 52.037 0.057 0.000 0.727 437 A CB 1.260 20.308 19.000 0.079 0.000 1.284 437 A HN 0.404 nan 8.150 nan 0.000 0.415 438 E N 0.730 120.962 120.200 0.054 0.000 2.324 438 E HA 0.218 4.583 4.350 0.024 0.000 0.271 438 E C -0.404 176.183 176.600 -0.022 0.000 1.028 438 E CA -0.005 56.350 56.400 -0.075 0.000 0.890 438 E CB 0.475 30.011 29.700 -0.274 0.000 1.004 438 E HN 0.543 nan 8.360 nan 0.000 0.431 439 T N 5.874 120.419 114.554 -0.016 0.000 4.475 439 T HA 0.085 4.450 4.350 0.024 0.000 0.254 439 T C -0.314 174.522 174.700 0.226 0.000 1.160 439 T CA -0.113 62.073 62.100 0.144 0.000 1.091 439 T CB -0.850 68.147 68.868 0.216 0.000 1.377 439 T HN 0.235 nan 8.240 nan 0.000 1.057 440 F N 2.036 122.055 119.950 0.115 0.000 2.590 440 F HA 0.148 4.689 4.527 0.023 0.000 0.389 440 F C 0.533 176.460 175.800 0.212 0.000 1.049 440 F CA -0.542 57.522 58.000 0.107 0.000 1.199 440 F CB -0.096 38.816 39.000 -0.147 0.000 1.058 440 F HN 0.354 nan 8.300 nan 0.000 0.556 441 Y N 3.020 123.445 120.300 0.209 0.000 2.385 441 Y HA 0.485 5.049 4.550 0.023 0.000 0.341 441 Y C -0.007 176.006 175.900 0.189 0.000 0.965 441 Y CA -1.304 56.879 58.100 0.139 0.000 1.180 441 Y CB 1.199 39.710 38.460 0.085 0.000 1.139 441 Y HN 0.385 nan 8.280 nan 0.000 0.502 442 V N 1.067 121.121 119.914 0.234 0.000 2.628 442 V HA 0.830 4.964 4.120 0.024 0.000 0.306 442 V C -0.930 175.230 176.094 0.110 0.000 1.045 442 V CA -0.490 61.929 62.300 0.198 0.000 0.905 442 V CB 2.131 34.029 31.823 0.124 0.000 0.997 442 V HN 0.683 nan 8.190 nan 0.000 0.436 443 D N 1.647 122.112 120.400 0.109 0.000 2.653 443 D HA 0.713 5.368 4.640 0.024 0.000 0.258 443 D C -0.583 175.752 176.300 0.059 0.000 1.252 443 D CA 0.412 54.449 54.000 0.061 0.000 0.777 443 D CB 2.318 43.151 40.800 0.055 0.000 1.339 443 D HN 1.142 nan 8.370 nan 0.000 0.422 444 G N -0.604 108.220 108.800 0.040 0.000 2.695 444 G HA2 0.879 4.853 3.960 0.024 0.000 0.290 444 G HA3 0.879 4.853 3.960 0.024 0.000 0.290 444 G C -1.678 173.243 174.900 0.035 0.000 1.410 444 G CA -0.100 45.021 45.100 0.035 0.000 0.844 444 G HN 0.685 nan 8.290 nan 0.000 0.478 445 A N -1.282 121.557 122.820 0.032 0.000 2.610 445 A HA 1.061 5.395 4.320 0.024 0.000 0.291 445 A C -0.773 176.828 177.584 0.029 0.000 1.086 445 A CA 0.055 52.115 52.037 0.037 0.000 0.677 445 A CB 1.372 20.398 19.000 0.043 0.000 1.278 445 A HN 2.526 nan 8.150 nan 0.000 0.414 446 A N 0.524 123.363 122.820 0.031 0.000 2.604 446 A HA 0.729 5.063 4.320 0.024 0.000 0.295 446 A C -0.979 176.621 177.584 0.027 0.000 1.067 446 A CA -0.431 51.621 52.037 0.026 0.000 0.683 446 A CB 1.055 20.070 19.000 0.025 0.000 1.281 446 A HN 0.944 nan 8.150 nan 0.000 0.407 447 N N 0.245 118.959 118.700 0.022 0.000 2.498 447 N HA 0.244 4.999 4.740 0.024 0.000 0.287 447 N C 0.775 176.298 175.510 0.022 0.000 1.097 447 N CA -0.640 52.423 53.050 0.021 0.000 0.973 447 N CB 0.840 39.336 38.487 0.015 0.000 1.153 447 N HN 0.647 nan 8.380 nan 0.000 0.472 448 R N 1.051 121.566 120.500 0.024 0.000 2.193 448 R HA -0.047 4.307 4.340 0.024 0.000 0.213 448 R C 1.079 177.392 176.300 0.021 0.000 1.055 448 R CA 0.914 57.029 56.100 0.025 0.000 0.995 448 R CB 0.144 30.461 30.300 0.027 0.000 0.893 448 R HN 0.703 nan 8.270 nan 0.000 0.459 449 E N -0.007 120.203 120.200 0.017 0.000 2.364 449 E HA -0.030 4.334 4.350 0.024 0.000 0.196 449 E C 1.298 177.906 176.600 0.013 0.000 0.990 449 E CA 1.140 57.549 56.400 0.015 0.000 0.886 449 E CB 0.101 29.808 29.700 0.013 0.000 0.866 449 E HN 0.235 nan 8.360 nan 0.000 0.493 450 T N -1.383 113.178 114.554 0.013 0.000 3.015 450 T HA 0.168 4.533 4.350 0.024 0.000 0.250 450 T C 0.909 175.616 174.700 0.013 0.000 1.057 450 T CA -0.035 62.072 62.100 0.012 0.000 1.066 450 T CB 0.237 69.111 68.868 0.010 0.000 0.959 450 T HN -0.131 nan 8.240 nan 0.000 0.488 451 K N 0.519 120.929 120.400 0.016 0.000 3.529 451 K HA -0.146 4.188 4.320 0.024 0.000 0.313 451 K C 0.220 176.830 176.600 0.016 0.000 1.316 451 K CA 0.998 57.296 56.287 0.017 0.000 0.988 451 K CB -2.557 29.953 32.500 0.017 0.000 1.252 451 K HN 0.804 nan 8.250 nan 0.000 0.438 452 L N -2.320 118.911 121.223 0.014 0.000 2.344 452 L HA 0.877 5.231 4.340 0.024 0.000 0.272 452 L C 0.332 177.210 176.870 0.014 0.000 1.035 452 L CA -0.103 54.744 54.840 0.013 0.000 0.807 452 L CB 2.342 44.408 42.059 0.010 0.000 1.237 452 L HN 0.065 nan 8.230 nan 0.000 0.442 453 G N 1.402 110.210 108.800 0.014 0.000 2.632 453 G HA2 0.383 4.357 3.960 0.024 0.000 0.292 453 G HA3 0.383 4.357 3.960 0.024 0.000 0.292 453 G C -1.917 172.992 174.900 0.014 0.000 1.465 453 G CA -0.980 44.129 45.100 0.015 0.000 0.824 453 G HN 0.631 nan 8.290 nan 0.000 0.509 454 K N 0.015 120.423 120.400 0.014 0.000 2.185 454 K HA 0.711 5.045 4.320 0.024 0.000 0.269 454 K C -0.345 176.267 176.600 0.020 0.000 0.987 454 K CA -0.464 55.830 56.287 0.013 0.000 0.865 454 K CB 2.182 34.685 32.500 0.006 0.000 1.090 454 K HN 0.676 nan 8.250 nan 0.000 0.450 455 A N 1.964 124.798 122.820 0.025 0.000 2.374 455 A HA 0.841 5.175 4.320 0.024 0.000 0.305 455 A C -0.417 177.195 177.584 0.047 0.000 1.053 455 A CA -0.454 51.607 52.037 0.040 0.000 0.726 455 A CB 1.649 20.677 19.000 0.046 0.000 1.229 455 A HN 0.805 nan 8.150 nan 0.000 0.431 456 G N 0.094 108.932 108.800 0.065 0.000 2.634 456 G HA2 0.715 4.689 3.960 0.024 0.000 0.309 456 G HA3 0.715 4.689 3.960 0.024 0.000 0.309 456 G C -1.227 173.771 174.900 0.163 0.000 1.299 456 G CA 0.214 45.348 45.100 0.057 0.000 0.798 456 G HN 1.830 nan 8.290 nan 0.000 0.490 457 Y N -2.899 117.452 120.300 0.084 0.000 2.840 457 Y HA 0.864 5.428 4.550 0.023 0.000 0.324 457 Y C -1.168 174.790 175.900 0.096 0.000 1.378 457 Y CA -1.395 56.783 58.100 0.130 0.000 1.077 457 Y CB 1.435 40.029 38.460 0.224 0.000 1.361 457 Y HN 1.224 nan 8.280 nan 0.000 0.459 458 V N 0.428 120.575 119.914 0.390 0.000 3.204 458 V HA 0.764 4.899 4.120 0.024 0.000 0.298 458 V C -0.864 175.318 176.094 0.147 0.000 1.328 458 V CA 0.284 62.672 62.300 0.147 0.000 1.035 458 V CB 2.001 33.822 31.823 -0.003 0.000 1.095 458 V HN 1.565 nan 8.190 nan 0.000 0.442 459 T N 0.633 115.169 114.554 -0.029 0.000 2.633 459 T HA 0.437 4.802 4.350 0.024 0.000 0.262 459 T C 0.708 175.310 174.700 -0.163 0.000 0.920 459 T CA 0.091 62.105 62.100 -0.144 0.000 1.062 459 T CB 1.242 69.880 68.868 -0.382 0.000 1.390 459 T HN 0.882 nan 8.240 nan 0.000 0.549 460 N N 0.122 118.737 118.700 -0.141 0.000 2.368 460 N HA 0.023 4.778 4.740 0.024 0.000 0.176 460 N C 1.085 176.538 175.510 -0.095 0.000 1.021 460 N CA 0.482 53.468 53.050 -0.108 0.000 0.888 460 N CB -0.250 38.204 38.487 -0.055 0.000 0.995 460 N HN 0.572 nan 8.380 nan 0.000 0.437 461 K N 0.269 120.607 120.400 -0.103 0.000 2.469 461 K HA 0.214 4.548 4.320 0.024 0.000 0.201 461 K C -0.122 176.433 176.600 -0.074 0.000 1.028 461 K CA 0.176 56.415 56.287 -0.079 0.000 1.170 461 K CB 0.098 32.553 32.500 -0.075 0.000 0.874 461 K HN 0.378 nan 8.250 nan 0.000 0.507 462 G N 2.161 110.910 108.800 -0.085 0.000 2.689 462 G HA2 -0.257 3.717 3.960 0.024 0.000 0.273 462 G HA3 -0.257 3.717 3.960 0.024 0.000 0.273 462 G C -0.801 174.063 174.900 -0.061 0.000 1.062 462 G CA -0.360 44.697 45.100 -0.072 0.000 1.279 462 G HN 0.266 nan 8.290 nan 0.000 0.547 463 R N 0.532 120.998 120.500 -0.057 0.000 2.483 463 R HA 0.635 4.989 4.340 0.024 0.000 0.303 463 R C -0.325 175.950 176.300 -0.042 0.000 0.987 463 R CA -0.525 55.568 56.100 -0.012 0.000 0.881 463 R CB 1.277 31.596 30.300 0.033 0.000 1.177 463 R HN 0.487 nan 8.270 nan 0.000 0.451 464 Q N 2.424 122.146 119.800 -0.131 0.000 2.356 464 Q HA 0.448 4.803 4.340 0.024 0.000 0.270 464 Q C -1.536 174.245 176.000 -0.366 0.000 1.058 464 Q CA -0.795 54.855 55.803 -0.256 0.000 0.802 464 Q CB 1.995 30.642 28.738 -0.151 0.000 1.303 464 Q HN 0.428 nan 8.270 nan 0.000 0.444 465 K N 2.460 122.509 120.400 -0.584 0.000 2.729 465 K HA 0.399 4.734 4.320 0.024 0.000 0.269 465 K C -2.119 174.293 176.600 -0.312 0.000 1.065 465 K CA -0.487 55.532 56.287 -0.447 0.000 1.000 465 K CB 1.384 33.545 32.500 -0.565 0.000 1.283 465 K HN 0.399 nan 8.250 nan 0.000 0.491 466 V N 4.723 124.541 119.914 -0.161 0.000 2.540 466 V HA 0.825 4.960 4.120 0.024 0.000 0.302 466 V C -0.952 175.115 176.094 -0.044 0.000 1.035 466 V CA -0.320 61.930 62.300 -0.083 0.000 0.873 466 V CB 1.583 33.367 31.823 -0.064 0.000 0.992 466 V HN 0.487 nan 8.190 nan 0.000 0.428 467 V N 4.407 124.311 119.914 -0.016 0.000 3.046 467 V HA 0.865 4.999 4.120 0.024 0.000 0.316 467 V C -2.568 173.529 176.094 0.005 0.000 1.104 467 V CA -1.967 60.331 62.300 -0.004 0.000 1.006 467 V CB 1.730 33.559 31.823 0.009 0.000 1.058 467 V HN 0.801 nan 8.190 nan 0.000 0.440 468 P HA 0.543 nan 4.420 nan 0.000 0.297 468 P C -1.196 176.112 177.300 0.014 0.000 1.303 468 P CA -0.600 62.505 63.100 0.008 0.000 0.753 468 P CB 1.075 32.778 31.700 0.005 0.000 1.281 469 L N -0.818 120.413 121.223 0.013 0.000 2.641 469 L HA 0.160 4.515 4.340 0.024 0.000 0.261 469 L C 1.511 178.389 176.870 0.013 0.000 0.926 469 L CA -0.505 54.345 54.840 0.016 0.000 0.917 469 L CB 2.037 44.106 42.059 0.017 0.000 1.361 469 L HN 0.463 nan 8.230 nan 0.000 0.417 470 T N -0.460 114.102 114.554 0.013 0.000 2.523 470 T HA -0.031 4.334 4.350 0.024 0.000 0.253 470 T C 0.693 175.400 174.700 0.012 0.000 1.139 470 T CA 0.809 62.916 62.100 0.012 0.000 1.230 470 T CB -0.100 68.774 68.868 0.011 0.000 0.871 470 T HN 0.449 nan 8.240 nan 0.000 0.396 471 N N 1.882 120.590 118.700 0.013 0.000 2.776 471 N HA 0.437 5.191 4.740 0.024 0.000 0.245 471 N C -1.081 174.439 175.510 0.015 0.000 1.121 471 N CA -0.110 52.949 53.050 0.014 0.000 0.852 471 N CB 1.568 40.063 38.487 0.014 0.000 1.142 471 N HN 0.552 nan 8.380 nan 0.000 0.514 472 T N -0.353 114.210 114.554 0.016 0.000 2.910 472 T HA 0.635 5.000 4.350 0.024 0.000 0.287 472 T C -0.328 174.384 174.700 0.020 0.000 1.050 472 T CA -0.335 61.775 62.100 0.016 0.000 1.011 472 T CB 1.100 69.975 68.868 0.011 0.000 1.195 472 T HN 0.371 nan 8.240 nan 0.000 0.540 473 T N 0.796 115.362 114.554 0.020 0.000 2.888 473 T HA 0.384 4.749 4.350 0.024 0.000 0.284 473 T C 1.231 175.945 174.700 0.024 0.000 1.017 473 T CA -0.884 61.234 62.100 0.031 0.000 1.022 473 T CB 1.399 70.295 68.868 0.048 0.000 1.013 473 T HN 0.558 nan 8.240 nan 0.000 0.465 474 N N 1.215 119.937 118.700 0.036 0.000 2.069 474 N HA -0.244 4.510 4.740 0.024 0.000 0.196 474 N C 1.619 177.141 175.510 0.020 0.000 1.024 474 N CA 2.065 55.136 53.050 0.037 0.000 0.869 474 N CB -0.249 38.271 38.487 0.056 0.000 1.035 474 N HN 0.715 nan 8.380 nan 0.000 0.434 475 Q N 0.439 120.259 119.800 0.032 0.000 2.167 475 Q HA 0.037 4.391 4.340 0.024 0.000 0.202 475 Q C 2.061 177.951 176.000 -0.183 0.000 0.970 475 Q CA 1.100 56.890 55.803 -0.021 0.000 0.855 475 Q CB 0.029 28.862 28.738 0.158 0.000 0.911 475 Q HN 0.343 nan 8.270 nan 0.000 0.438 476 K N -0.203 120.139 120.400 -0.096 0.000 2.097 476 K HA -0.106 4.229 4.320 0.024 0.000 0.205 476 K C 2.270 178.816 176.600 -0.090 0.000 1.050 476 K CA 1.624 57.843 56.287 -0.112 0.000 0.938 476 K CB -0.190 32.288 32.500 -0.037 0.000 0.718 476 K HN 0.440 nan 8.250 nan 0.000 0.442 477 T N 0.136 114.663 114.554 -0.045 0.000 2.684 477 T HA -0.177 4.187 4.350 0.024 0.000 0.267 477 T C 1.690 176.375 174.700 -0.026 0.000 1.036 477 T CA 1.116 63.206 62.100 -0.018 0.000 1.148 477 T CB -0.280 68.591 68.868 0.004 0.000 0.863 477 T HN 0.142 nan 8.240 nan 0.000 0.436 478 E N 1.045 121.215 120.200 -0.050 0.000 2.130 478 E HA -0.075 4.290 4.350 0.024 0.000 0.196 478 E C 2.282 178.840 176.600 -0.071 0.000 0.998 478 E CA 0.741 57.111 56.400 -0.050 0.000 0.806 478 E CB -0.431 29.232 29.700 -0.062 0.000 0.738 478 E HN 0.356 nan 8.360 nan 0.000 0.459 479 L N 1.192 122.332 121.223 -0.138 0.000 2.093 479 L HA -0.163 4.191 4.340 0.024 0.000 0.208 479 L C 2.319 179.164 176.870 -0.042 0.000 1.085 479 L CA 1.465 56.224 54.840 -0.135 0.000 0.755 479 L CB -0.675 41.249 42.059 -0.224 0.000 0.904 479 L HN 0.141 nan 8.230 nan 0.000 0.435 480 Q N -0.482 119.310 119.800 -0.013 0.000 2.084 480 Q HA -0.147 4.207 4.340 0.024 0.000 0.202 480 Q C 2.251 178.316 176.000 0.108 0.000 0.978 480 Q CA 1.704 57.547 55.803 0.066 0.000 0.844 480 Q CB -0.250 28.523 28.738 0.057 0.000 0.898 480 Q HN 0.534 nan 8.270 nan 0.000 0.426 481 A N 1.181 124.045 122.820 0.074 0.000 1.917 481 A HA -0.191 4.144 4.320 0.024 0.000 0.219 481 A C 2.079 179.702 177.584 0.065 0.000 1.182 481 A CA 1.385 53.483 52.037 0.102 0.000 0.633 481 A CB -0.710 18.345 19.000 0.092 0.000 0.819 481 A HN 0.358 nan 8.150 nan 0.000 0.448 482 I N -1.926 118.660 120.570 0.027 0.000 2.361 482 I HA -0.223 3.961 4.170 0.024 0.000 0.251 482 I C 2.462 178.575 176.117 -0.007 0.000 1.133 482 I CA 1.556 62.844 61.300 -0.020 0.000 1.413 482 I CB -0.793 37.194 38.000 -0.021 0.000 1.073 482 I HN 0.512 nan 8.210 nan 0.000 0.424 483 Y N 2.099 122.343 120.300 -0.093 0.000 2.200 483 Y HA -0.179 4.385 4.550 0.024 0.000 0.290 483 Y C 2.404 178.242 175.900 -0.104 0.000 1.137 483 Y CA 1.327 59.370 58.100 -0.095 0.000 1.163 483 Y CB -0.553 37.871 38.460 -0.061 0.000 0.988 483 Y HN 0.005 nan 8.280 nan 0.000 0.518 484 L N -0.332 120.827 121.223 -0.107 0.000 1.989 484 L HA -0.261 4.093 4.340 0.024 0.000 0.211 484 L C 2.669 179.331 176.870 -0.347 0.000 1.071 484 L CA 1.480 56.240 54.840 -0.133 0.000 0.749 484 L CB -1.186 40.996 42.059 0.206 0.000 0.890 484 L HN 0.258 nan 8.230 nan 0.000 0.431 485 A N -0.483 122.026 122.820 -0.518 0.000 2.186 485 A HA -0.116 4.219 4.320 0.024 0.000 0.219 485 A C 2.071 179.147 177.584 -0.847 0.000 1.159 485 A CA 1.328 52.736 52.037 -1.047 0.000 0.680 485 A CB -0.562 17.878 19.000 -0.933 0.000 0.787 485 A HN 0.458 nan 8.150 nan 0.000 0.467 486 L N -2.022 118.902 121.223 -0.497 0.000 2.616 486 L HA 0.058 4.412 4.340 0.024 0.000 0.229 486 L C 2.307 178.988 176.870 -0.315 0.000 1.110 486 L CA 0.282 54.905 54.840 -0.362 0.000 0.884 486 L CB 0.033 41.962 42.059 -0.216 0.000 1.115 486 L HN 0.385 nan 8.230 nan 0.000 0.481 487 Q N -0.489 119.095 119.800 -0.360 0.000 2.324 487 Q HA 0.012 4.367 4.340 0.024 0.000 0.207 487 Q C 0.222 176.122 176.000 -0.167 0.000 0.928 487 Q CA 0.539 56.179 55.803 -0.272 0.000 0.890 487 Q CB 0.574 29.108 28.738 -0.340 0.000 1.001 487 Q HN 0.320 nan 8.270 nan 0.000 0.517 488 D N 1.132 121.431 120.400 -0.168 0.000 2.706 488 D HA 0.077 4.731 4.640 0.024 0.000 0.236 488 D C -0.370 175.956 176.300 0.043 0.000 1.231 488 D CA 0.176 54.174 54.000 -0.003 0.000 0.828 488 D CB 0.309 41.222 40.800 0.188 0.000 1.015 488 D HN 0.075 nan 8.370 nan 0.000 0.484 489 S N -1.889 113.765 115.700 -0.076 0.000 2.588 489 S HA 0.729 5.213 4.470 0.024 0.000 0.275 489 S C 0.435 175.036 174.600 0.001 0.000 1.130 489 S CA -0.956 57.253 58.200 0.015 0.000 0.855 489 S CB 2.190 65.255 63.200 -0.225 0.000 1.116 489 S HN 0.057 nan 8.310 nan 0.000 0.472 490 G N 0.172 109.004 108.800 0.054 0.000 2.485 490 G HA2 0.431 4.405 3.960 0.024 0.000 0.260 490 G HA3 0.431 4.405 3.960 0.024 0.000 0.260 490 G C 0.573 175.476 174.900 0.007 0.000 1.459 490 G CA -0.879 44.237 45.100 0.027 0.000 1.060 490 G HN 0.720 nan 8.290 nan 0.000 0.546 491 L N -0.551 120.677 121.223 0.010 0.000 2.376 491 L HA 0.129 4.483 4.340 0.024 0.000 0.219 491 L C 0.910 177.790 176.870 0.017 0.000 1.133 491 L CA 0.856 55.698 54.840 0.004 0.000 0.816 491 L CB -0.164 41.899 42.059 0.007 0.000 0.933 491 L HN 0.397 nan 8.230 nan 0.000 0.449 492 E N -0.182 120.038 120.200 0.035 0.000 2.158 492 E HA 0.512 4.877 4.350 0.024 0.000 0.271 492 E C -1.148 175.500 176.600 0.080 0.000 0.911 492 E CA -0.376 56.056 56.400 0.053 0.000 0.767 492 E CB 2.457 32.188 29.700 0.051 0.000 1.120 492 E HN -0.153 nan 8.360 nan 0.000 0.405 493 V N 2.463 122.429 119.914 0.087 0.000 2.962 493 V HA 0.484 4.619 4.120 0.024 0.000 0.313 493 V C -0.617 175.578 176.094 0.169 0.000 1.099 493 V CA -1.164 61.211 62.300 0.124 0.000 0.971 493 V CB 2.338 34.164 31.823 0.005 0.000 1.028 493 V HN 0.598 nan 8.190 nan 0.000 0.430 494 N N 2.077 120.919 118.700 0.237 0.000 2.352 494 N HA 0.755 5.509 4.740 0.024 0.000 0.291 494 N C -1.429 174.221 175.510 0.232 0.000 1.040 494 N CA -0.233 52.969 53.050 0.253 0.000 0.864 494 N CB 2.369 40.990 38.487 0.223 0.000 1.440 494 N HN 0.603 nan 8.380 nan 0.000 0.483 495 I N 0.860 121.510 120.570 0.133 0.000 2.582 495 I HA 0.502 4.687 4.170 0.024 0.000 0.292 495 I C -0.401 175.696 176.117 -0.034 0.000 1.066 495 I CA -1.144 60.184 61.300 0.047 0.000 1.053 495 I CB 2.275 40.255 38.000 -0.034 0.000 1.241 495 I HN 0.211 nan 8.210 nan 0.000 0.421 496 V N 1.344 121.197 119.914 -0.101 0.000 2.638 496 V HA 0.872 5.006 4.120 0.024 0.000 0.306 496 V C -0.643 175.357 176.094 -0.157 0.000 1.052 496 V CA -0.149 62.039 62.300 -0.187 0.000 0.885 496 V CB 1.564 33.148 31.823 -0.397 0.000 0.999 496 V HN 0.830 nan 8.190 nan 0.000 0.424 497 T N 1.586 116.057 114.554 -0.137 0.000 2.916 497 T HA 0.477 4.841 4.350 0.024 0.000 0.292 497 T C 0.153 174.674 174.700 -0.298 0.000 1.064 497 T CA 0.234 62.258 62.100 -0.126 0.000 1.011 497 T CB 2.064 70.916 68.868 -0.027 0.000 1.152 497 T HN 0.995 nan 8.240 nan 0.000 0.510 498 D N 0.754 121.004 120.400 -0.250 0.000 2.339 498 D HA 0.138 4.793 4.640 0.024 0.000 0.217 498 D C 0.370 176.610 176.300 -0.100 0.000 1.050 498 D CA -0.114 53.650 54.000 -0.394 0.000 0.856 498 D CB 0.245 40.895 40.800 -0.249 0.000 0.922 498 D HN 0.217 nan 8.370 nan 0.000 0.518 499 S N -0.106 115.665 115.700 0.117 0.000 2.498 499 S HA 0.228 4.713 4.470 0.024 0.000 0.317 499 S C 0.626 175.485 174.600 0.432 0.000 1.090 499 S CA -0.521 57.859 58.200 0.300 0.000 1.089 499 S CB 1.704 64.986 63.200 0.137 0.000 0.997 499 S HN -0.141 nan 8.310 nan 0.000 0.470 500 Q N 3.046 123.089 119.800 0.406 0.000 2.079 500 Q HA -0.063 4.292 4.340 0.024 0.000 0.200 500 Q C 1.399 177.499 176.000 0.167 0.000 0.974 500 Q CA 1.545 57.408 55.803 0.100 0.000 0.840 500 Q CB -0.433 28.232 28.738 -0.122 0.000 0.898 500 Q HN 0.866 nan 8.270 nan 0.000 0.430 501 Y N 1.426 121.753 120.300 0.045 0.000 2.030 501 Y HA -0.353 4.209 4.550 0.020 0.000 0.272 501 Y C 2.218 178.139 175.900 0.035 0.000 1.185 501 Y CA 1.547 59.667 58.100 0.035 0.000 1.120 501 Y CB -1.074 37.413 38.460 0.045 0.000 0.955 501 Y HN 0.102 nan 8.280 nan 0.000 0.495 502 A N 0.151 123.117 122.820 0.242 0.000 1.883 502 A HA -0.211 4.124 4.320 0.024 0.000 0.217 502 A C 2.355 180.015 177.584 0.126 0.000 1.186 502 A CA 1.922 54.007 52.037 0.080 0.000 0.624 502 A CB -1.405 17.604 19.000 0.015 0.000 0.822 502 A HN 0.555 nan 8.150 nan 0.000 0.444 503 L N 0.020 121.331 121.223 0.146 0.000 1.989 503 L HA -0.053 4.302 4.340 0.024 0.000 0.211 503 L C 2.435 179.363 176.870 0.096 0.000 1.071 503 L CA 2.485 57.389 54.840 0.108 0.000 0.749 503 L CB -1.258 40.859 42.059 0.097 0.000 0.890 503 L HN 0.360 nan 8.230 nan 0.000 0.431 504 G N 0.079 108.929 108.800 0.083 0.000 2.777 504 G HA2 -0.378 3.597 3.960 0.024 0.000 0.217 504 G HA3 -0.378 3.597 3.960 0.024 0.000 0.217 504 G C 1.485 176.503 174.900 0.197 0.000 1.295 504 G CA 1.554 46.706 45.100 0.088 0.000 0.800 504 G HN 0.427 nan 8.290 nan 0.000 0.637 505 I N 1.277 121.966 120.570 0.197 0.000 2.290 505 I HA -0.204 3.981 4.170 0.024 0.000 0.253 505 I C 2.522 178.746 176.117 0.180 0.000 1.112 505 I CA 0.785 62.188 61.300 0.173 0.000 1.377 505 I CB -0.423 37.601 38.000 0.039 0.000 1.060 505 I HN 0.164 nan 8.210 nan 0.000 0.428 506 I N -0.655 120.016 120.570 0.169 0.000 2.235 506 I HA -0.152 4.032 4.170 0.024 0.000 0.241 506 I C 2.417 178.679 176.117 0.241 0.000 1.085 506 I CA 1.005 62.421 61.300 0.193 0.000 1.378 506 I CB -1.765 36.319 38.000 0.140 0.000 1.076 506 I HN 0.270 nan 8.210 nan 0.000 0.415 507 Q N 1.097 121.051 119.800 0.257 0.000 2.182 507 Q HA -0.251 4.104 4.340 0.024 0.000 0.213 507 Q C 2.227 178.479 176.000 0.420 0.000 1.000 507 Q CA 2.356 58.379 55.803 0.367 0.000 0.889 507 Q CB -0.661 28.323 28.738 0.410 0.000 0.932 507 Q HN 0.596 nan 8.270 nan 0.000 0.415 508 A N 0.461 123.542 122.820 0.436 0.000 2.216 508 A HA -0.134 4.200 4.320 0.024 0.000 0.214 508 A C 0.428 177.943 177.584 -0.115 0.000 1.160 508 A CA 0.661 52.818 52.037 0.199 0.000 0.725 508 A CB -0.250 18.947 19.000 0.328 0.000 0.784 508 A HN 0.521 nan 8.150 nan 0.000 0.472 509 Q N -1.370 118.380 119.800 -0.083 0.000 2.453 509 Q HA -0.130 4.224 4.340 0.024 0.000 0.330 509 Q C -2.338 173.480 176.000 -0.304 0.000 1.417 509 Q CA 0.440 56.019 55.803 -0.373 0.000 0.902 509 Q CB -1.866 26.465 28.738 -0.677 0.000 1.154 509 Q HN 0.618 nan 8.270 nan 0.000 0.395 510 P HA 0.098 nan 4.420 nan 0.000 0.274 510 P C -0.075 177.315 177.300 0.149 0.000 1.237 510 P CA -0.062 63.077 63.100 0.065 0.000 0.793 510 P CB 0.986 32.781 31.700 0.158 0.000 0.977 511 D N -0.461 120.024 120.400 0.142 0.000 2.995 511 D HA 0.074 4.728 4.640 0.024 0.000 0.289 511 D C 0.501 176.934 176.300 0.222 0.000 1.116 511 D CA 1.101 55.248 54.000 0.245 0.000 0.994 511 D CB 0.121 41.040 40.800 0.199 0.000 1.209 511 D HN 0.298 nan 8.370 nan 0.000 0.458 512 K N 0.364 120.865 120.400 0.169 0.000 2.148 512 K HA 0.664 4.998 4.320 0.024 0.000 0.239 512 K C -0.108 176.579 176.600 0.144 0.000 1.018 512 K CA -0.358 56.013 56.287 0.140 0.000 0.923 512 K CB 1.847 34.414 32.500 0.113 0.000 1.117 512 K HN 0.039 nan 8.250 nan 0.000 0.477 513 S N -0.689 115.085 115.700 0.123 0.000 2.615 513 S HA 0.166 4.650 4.470 0.024 0.000 0.268 513 S C -1.624 173.037 174.600 0.103 0.000 1.146 513 S CA -0.632 57.663 58.200 0.160 0.000 0.818 513 S CB 1.418 64.741 63.200 0.206 0.000 1.111 513 S HN 0.647 nan 8.310 nan 0.000 0.465 514 E N 0.934 121.200 120.200 0.110 0.000 4.170 514 E HA 0.393 4.757 4.350 0.024 0.000 0.215 514 E C -0.530 176.122 176.600 0.086 0.000 1.119 514 E CA -0.017 56.419 56.400 0.059 0.000 1.396 514 E CB 0.481 30.188 29.700 0.011 0.000 1.182 514 E HN 0.379 nan 8.360 nan 0.000 0.438 515 S N 0.285 116.050 115.700 0.109 0.000 2.744 515 S HA 0.086 4.571 4.470 0.024 0.000 0.265 515 S C 0.776 175.394 174.600 0.029 0.000 1.065 515 S CA 0.599 58.858 58.200 0.098 0.000 1.191 515 S CB 0.267 63.569 63.200 0.171 0.000 1.150 515 S HN 0.447 nan 8.310 nan 0.000 0.646 516 E N 0.731 120.940 120.200 0.015 0.000 4.609 516 E HA -0.294 4.070 4.350 0.024 0.000 0.178 516 E C 0.844 177.398 176.600 -0.076 0.000 1.274 516 E CA 1.867 58.253 56.400 -0.024 0.000 2.344 516 E CB -1.820 27.865 29.700 -0.024 0.000 1.833 516 E HN 0.458 nan 8.360 nan 0.000 0.404 517 L N -0.037 121.126 121.223 -0.099 0.000 1.989 517 L HA -0.144 4.211 4.340 0.024 0.000 0.211 517 L C 2.294 179.034 176.870 -0.216 0.000 1.071 517 L CA 2.149 56.865 54.840 -0.206 0.000 0.749 517 L CB -0.237 41.718 42.059 -0.175 0.000 0.890 517 L HN 0.306 nan 8.230 nan 0.000 0.431 518 V N -0.029 119.817 119.914 -0.113 0.000 2.515 518 V HA -0.264 3.870 4.120 0.024 0.000 0.250 518 V C 2.282 178.348 176.094 -0.046 0.000 1.058 518 V CA 1.865 64.113 62.300 -0.085 0.000 1.064 518 V CB -0.987 30.802 31.823 -0.058 0.000 0.675 518 V HN 0.569 nan 8.190 nan 0.000 0.461 519 N N -0.033 118.652 118.700 -0.024 0.000 2.453 519 N HA -0.187 4.567 4.740 0.024 0.000 0.183 519 N C 1.908 177.390 175.510 -0.048 0.000 1.041 519 N CA 1.299 54.346 53.050 -0.005 0.000 0.900 519 N CB 0.155 38.645 38.487 0.006 0.000 0.961 519 N HN 0.641 nan 8.380 nan 0.000 0.443 520 Q N -0.114 119.621 119.800 -0.108 0.000 2.297 520 Q HA 0.157 4.512 4.340 0.024 0.000 0.203 520 Q C 2.096 178.035 176.000 -0.102 0.000 0.931 520 Q CA 0.110 55.837 55.803 -0.128 0.000 0.885 520 Q CB 0.322 28.919 28.738 -0.235 0.000 0.991 520 Q HN 0.332 nan 8.270 nan 0.000 0.498 521 I N 1.148 121.631 120.570 -0.145 0.000 2.335 521 I HA -0.275 3.909 4.170 0.024 0.000 0.251 521 I C 1.979 178.048 176.117 -0.080 0.000 1.129 521 I CA 1.077 62.335 61.300 -0.069 0.000 1.402 521 I CB -0.441 37.507 38.000 -0.087 0.000 1.069 521 I HN 0.329 nan 8.210 nan 0.000 0.424 522 I N 0.497 121.018 120.570 -0.081 0.000 2.406 522 I HA -0.222 3.962 4.170 0.024 0.000 0.249 522 I C 2.510 178.548 176.117 -0.133 0.000 1.122 522 I CA 1.034 62.268 61.300 -0.109 0.000 1.431 522 I CB -0.704 37.311 38.000 0.025 0.000 1.087 522 I HN 0.322 nan 8.210 nan 0.000 0.424 523 E N 1.237 121.382 120.200 -0.092 0.000 2.086 523 E HA -0.324 4.041 4.350 0.024 0.000 0.200 523 E C 2.171 178.706 176.600 -0.108 0.000 1.012 523 E CA 1.887 58.227 56.400 -0.101 0.000 0.812 523 E CB 0.115 29.778 29.700 -0.062 0.000 0.743 523 E HN 0.398 nan 8.360 nan 0.000 0.453 524 Q N 0.352 120.102 119.800 -0.083 0.000 2.016 524 Q HA -0.063 4.292 4.340 0.024 0.000 0.200 524 Q C 2.338 178.238 176.000 -0.166 0.000 0.978 524 Q CA 1.264 57.007 55.803 -0.099 0.000 0.833 524 Q CB -0.275 28.423 28.738 -0.066 0.000 0.895 524 Q HN 0.325 nan 8.270 nan 0.000 0.427 525 L N 0.035 121.105 121.223 -0.253 0.000 2.103 525 L HA -0.271 4.083 4.340 0.024 0.000 0.215 525 L C 2.132 178.790 176.870 -0.353 0.000 1.080 525 L CA 1.206 55.786 54.840 -0.433 0.000 0.764 525 L CB -0.580 40.960 42.059 -0.866 0.000 0.890 525 L HN 0.302 nan 8.230 nan 0.000 0.435 526 I N -0.762 119.661 120.570 -0.244 0.000 2.286 526 I HA -0.293 3.892 4.170 0.024 0.000 0.248 526 I C 2.542 178.614 176.117 -0.075 0.000 1.115 526 I CA 1.368 62.608 61.300 -0.100 0.000 1.392 526 I CB -0.346 37.564 38.000 -0.150 0.000 1.065 526 I HN 0.234 nan 8.210 nan 0.000 0.418 527 K N 0.790 121.131 120.400 -0.099 0.000 2.007 527 K HA -0.039 4.295 4.320 0.024 0.000 0.206 527 K C 0.494 177.065 176.600 -0.049 0.000 1.047 527 K CA 0.552 56.797 56.287 -0.070 0.000 0.937 527 K CB -0.053 32.402 32.500 -0.075 0.000 0.718 527 K HN 0.031 nan 8.250 nan 0.000 0.438 528 K N 2.369 122.729 120.400 -0.067 0.000 2.405 528 K HA -0.103 4.232 4.320 0.024 0.000 0.276 528 K C 0.635 177.228 176.600 -0.012 0.000 1.099 528 K CA 0.658 56.918 56.287 -0.046 0.000 1.120 528 K CB 0.475 32.932 32.500 -0.071 0.000 0.877 528 K HN 0.285 nan 8.250 nan 0.000 0.472 529 E N 2.377 122.581 120.200 0.007 0.000 2.274 529 E HA -0.099 4.266 4.350 0.024 0.000 0.194 529 E C -0.480 176.148 176.600 0.046 0.000 0.996 529 E CA 1.002 57.419 56.400 0.029 0.000 0.840 529 E CB 0.393 30.108 29.700 0.026 0.000 0.772 529 E HN 0.325 nan 8.360 nan 0.000 0.491 530 K N 0.400 120.826 120.400 0.044 0.000 2.601 530 K HA 0.361 4.696 4.320 0.024 0.000 0.249 530 K C -1.565 175.079 176.600 0.073 0.000 0.966 530 K CA -0.517 55.809 56.287 0.066 0.000 0.827 530 K CB 2.702 35.238 32.500 0.060 0.000 1.178 530 K HN -0.175 nan 8.250 nan 0.000 0.437 531 V N 2.673 122.645 119.914 0.098 0.000 2.823 531 V HA 0.503 4.638 4.120 0.024 0.000 0.312 531 V C -1.293 174.908 176.094 0.179 0.000 1.072 531 V CA -1.022 61.337 62.300 0.099 0.000 0.937 531 V CB 1.742 33.592 31.823 0.045 0.000 1.013 531 V HN 0.733 nan 8.190 nan 0.000 0.430 532 Y N 4.017 124.341 120.300 0.040 0.000 2.562 532 Y HA 0.849 5.414 4.550 0.025 0.000 0.345 532 Y C -1.702 174.224 175.900 0.044 0.000 1.045 532 Y CA -1.304 56.827 58.100 0.050 0.000 1.028 532 Y CB 2.062 40.550 38.460 0.047 0.000 1.297 532 Y HN 0.636 nan 8.280 nan 0.000 0.463 533 L N 4.445 125.208 121.223 -0.767 0.000 2.505 533 L HA 0.948 5.302 4.340 0.024 0.000 0.266 533 L C -1.641 174.860 176.870 -0.615 0.000 0.954 533 L CA -0.329 54.236 54.840 -0.458 0.000 0.852 533 L CB 1.477 43.419 42.059 -0.195 0.000 1.282 533 L HN 0.829 nan 8.230 nan 0.000 0.403 534 A N 3.350 125.977 122.820 -0.321 0.000 2.344 534 A HA 0.878 5.212 4.320 0.024 0.000 0.307 534 A C -1.853 175.753 177.584 0.036 0.000 1.151 534 A CA -0.550 51.412 52.037 -0.125 0.000 0.842 534 A CB 1.027 20.050 19.000 0.039 0.000 1.350 534 A HN 0.851 nan 8.150 nan 0.000 0.459 535 W N -0.295 120.951 121.300 -0.089 0.000 2.820 535 W HA 0.644 5.315 4.660 0.018 0.000 0.350 535 W C -1.308 175.178 176.519 -0.054 0.000 1.116 535 W CA -0.192 57.110 57.345 -0.071 0.000 1.146 535 W CB 1.936 31.358 29.460 -0.063 0.000 1.433 535 W HN 0.804 nan 8.180 nan 0.000 0.561 536 V N 0.966 120.204 119.914 -1.127 0.000 3.177 536 V HA 0.381 4.515 4.120 0.024 0.000 0.287 536 V C -2.680 172.477 176.094 -1.561 0.000 1.465 536 V CA -2.324 59.392 62.300 -0.973 0.000 1.020 536 V CB 1.127 32.672 31.823 -0.464 0.000 1.152 536 V HN 0.454 nan 8.190 nan 0.000 0.448 537 P HA 0.239 nan 4.420 nan 0.000 0.266 537 P C 0.565 177.613 177.300 -0.421 0.000 1.193 537 P CA 0.877 63.649 63.100 -0.547 0.000 0.770 537 P CB 0.858 32.453 31.700 -0.175 0.000 0.836 538 A N 3.792 126.419 122.820 -0.322 0.000 1.823 538 A HA -0.096 4.239 4.320 0.024 0.000 0.214 538 A C 0.612 178.102 177.584 -0.156 0.000 1.225 538 A CA 1.232 53.086 52.037 -0.306 0.000 0.604 538 A CB -1.124 17.584 19.000 -0.486 0.000 0.878 538 A HN 0.603 nan 8.150 nan 0.000 0.450 539 H N 0.153 119.209 119.070 -0.024 0.000 2.726 539 H HA 0.645 5.211 4.556 0.016 0.000 0.244 539 H C -0.656 174.666 175.328 -0.011 0.000 1.669 539 H CA -0.105 55.937 56.048 -0.010 0.000 1.293 539 H CB -0.024 29.742 29.762 0.006 0.000 1.640 539 H HN 0.221 nan 8.280 nan 0.000 0.553 540 K N -0.406 120.032 120.400 0.064 0.000 2.466 540 K HA 0.492 4.826 4.320 0.024 0.000 0.260 540 K C 1.107 177.723 176.600 0.026 0.000 1.011 540 K CA -0.676 55.630 56.287 0.031 0.000 0.871 540 K CB 1.421 33.916 32.500 -0.008 0.000 1.404 540 K HN 0.371 nan 8.250 nan 0.000 0.450 541 G N 1.543 110.357 108.800 0.023 0.000 3.234 541 G HA2 0.097 4.071 3.960 0.024 0.000 0.221 541 G HA3 0.097 4.071 3.960 0.024 0.000 0.221 541 G C 0.114 175.027 174.900 0.020 0.000 1.229 541 G CA -0.033 45.080 45.100 0.021 0.000 0.909 541 G HN 0.287 nan 8.290 nan 0.000 0.510 542 I N 1.332 121.911 120.570 0.014 0.000 2.754 542 I HA 0.153 4.337 4.170 0.024 0.000 0.285 542 I C 1.194 177.343 176.117 0.052 0.000 1.166 542 I CA -0.165 61.148 61.300 0.021 0.000 1.417 542 I CB 0.805 38.796 38.000 -0.014 0.000 1.382 542 I HN 0.063 nan 8.210 nan 0.000 0.588 543 G N 2.869 111.718 108.800 0.081 0.000 2.353 543 G HA2 0.486 4.460 3.960 0.024 0.000 0.284 543 G HA3 0.486 4.460 3.960 0.024 0.000 0.284 543 G C 0.668 175.695 174.900 0.211 0.000 1.172 543 G CA 0.348 45.505 45.100 0.094 0.000 0.854 543 G HN 1.056 nan 8.290 nan 0.000 0.485 544 G N 2.671 111.506 108.800 0.058 0.000 2.850 544 G HA2 -0.328 3.647 3.960 0.024 0.000 0.207 544 G HA3 -0.328 3.647 3.960 0.024 0.000 0.207 544 G C 1.376 176.365 174.900 0.148 0.000 1.302 544 G CA 0.672 45.669 45.100 -0.170 0.000 0.832 544 G HN 0.816 nan 8.290 nan 0.000 0.543 545 N N 1.462 120.353 118.700 0.319 0.000 2.381 545 N HA 0.035 4.789 4.740 0.024 0.000 0.182 545 N C 1.795 177.354 175.510 0.082 0.000 1.025 545 N CA 1.877 55.031 53.050 0.174 0.000 0.888 545 N CB -0.133 38.396 38.487 0.069 0.000 0.965 545 N HN 0.618 nan 8.380 nan 0.000 0.438 546 E N 0.447 120.682 120.200 0.060 0.000 2.038 546 E HA -0.251 4.114 4.350 0.024 0.000 0.195 546 E C 1.843 178.453 176.600 0.018 0.000 1.000 546 E CA 1.591 58.009 56.400 0.030 0.000 0.803 546 E CB -0.393 29.316 29.700 0.015 0.000 0.750 546 E HN 0.305 nan 8.360 nan 0.000 0.448 547 Q N -0.620 119.181 119.800 0.001 0.000 2.187 547 Q HA 0.056 4.410 4.340 0.024 0.000 0.199 547 Q C 2.035 178.036 176.000 0.001 0.000 0.957 547 Q CA 1.235 57.031 55.803 -0.012 0.000 0.857 547 Q CB 0.192 28.904 28.738 -0.042 0.000 0.929 547 Q HN 0.294 nan 8.270 nan 0.000 0.453 548 V N 0.846 120.775 119.914 0.024 0.000 2.970 548 V HA -0.142 3.992 4.120 0.024 0.000 0.260 548 V C 1.725 177.843 176.094 0.040 0.000 1.100 548 V CA 1.655 63.978 62.300 0.039 0.000 1.122 548 V CB -0.384 31.493 31.823 0.089 0.000 0.721 548 V HN 0.404 nan 8.190 nan 0.000 0.483 549 D N 0.481 120.905 120.400 0.041 0.000 2.183 549 D HA -0.100 4.554 4.640 0.024 0.000 0.205 549 D C 2.121 178.434 176.300 0.023 0.000 0.962 549 D CA 0.809 54.835 54.000 0.044 0.000 0.849 549 D CB 0.252 41.088 40.800 0.061 0.000 0.978 549 D HN 0.363 nan 8.370 nan 0.000 0.488 550 K N 0.203 120.610 120.400 0.012 0.000 2.211 550 K HA -0.008 4.326 4.320 0.024 0.000 0.203 550 K C 2.237 178.834 176.600 -0.005 0.000 1.050 550 K CA 0.328 56.615 56.287 -0.001 0.000 0.945 550 K CB 0.155 32.651 32.500 -0.007 0.000 0.732 550 K HN 0.203 nan 8.250 nan 0.000 0.451 551 L N 0.931 122.152 121.223 -0.004 0.000 2.291 551 L HA -0.050 4.304 4.340 0.024 0.000 0.214 551 L C 0.945 177.811 176.870 -0.007 0.000 1.120 551 L CA 0.371 55.205 54.840 -0.011 0.000 0.799 551 L CB 0.126 42.174 42.059 -0.019 0.000 0.925 551 L HN -0.025 nan 8.230 nan 0.000 0.446 552 V N -3.056 116.860 119.914 0.004 0.000 2.169 552 V HA 0.333 4.467 4.120 0.024 0.000 0.271 552 V C 0.199 176.297 176.094 0.007 0.000 1.372 552 V CA -0.452 61.852 62.300 0.008 0.000 1.348 552 V CB 0.109 31.944 31.823 0.020 0.000 1.379 552 V HN 0.142 nan 8.190 nan 0.000 0.491 553 S N 2.594 118.294 115.700 -0.001 0.000 2.767 553 S HA 0.968 5.453 4.470 0.024 0.000 0.300 553 S C 0.214 174.812 174.600 -0.003 0.000 1.123 553 S CA 0.599 58.797 58.200 -0.003 0.000 0.992 553 S CB 1.684 64.879 63.200 -0.008 0.000 1.138 553 S HN 2.590 nan 8.310 nan 0.000 0.550 554 A N 0.000 122.817 122.820 -0.004 0.000 2.254 554 A HA 0.000 4.334 4.320 0.024 0.000 0.244 554 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 554 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 554 A HN 0.000 nan 8.150 nan 0.000 0.486