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 1tkx_1_A DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKKKXXTKWR KLVDFRELNK RTQDFWEVQL GIPHPAGLKK DATA SEQUENCE KKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFR KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPDKKHQ KEPPFLWMGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLXKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWYQLEKE PIVGAETFYV DGAANRETKL DATA SEQUENCE GKAGYVTNRG RQKVVTLTDT TNQKTELQAI YLALQDSGLE VNIVTDSQYA DATA SEQUENCE LGIIQAQPDQ SESELVNQII EQLIKKEKVY LAWVPAH 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.662 174.600 0.103 0.000 1.055 3 S CA 0.000 58.267 58.200 0.111 0.000 1.107 3 S CB 0.000 63.285 63.200 0.142 0.000 0.593 4 P HA 0.463 nan 4.420 nan 0.000 0.253 4 P C -0.984 176.439 177.300 0.204 0.000 1.863 4 P CA -0.127 63.033 63.100 0.100 0.000 1.145 4 P CB -0.595 31.104 31.700 -0.002 0.000 1.666 5 I N -0.308 120.383 120.570 0.201 0.000 2.354 5 I HA 0.260 4.447 4.170 0.029 0.000 0.292 5 I C 0.842 177.016 176.117 0.096 0.000 0.989 5 I CA -1.074 60.336 61.300 0.184 0.000 1.188 5 I CB 1.430 39.492 38.000 0.102 0.000 1.342 5 I HN -0.154 nan 8.210 nan 0.000 0.457 6 E N 4.882 125.132 120.200 0.083 0.000 2.558 6 E HA 0.002 4.369 4.350 0.029 0.000 0.255 6 E C -0.046 176.573 176.600 0.031 0.000 0.968 6 E CA 0.123 56.555 56.400 0.054 0.000 0.939 6 E CB 0.782 30.509 29.700 0.046 0.000 0.921 6 E HN 0.673 nan 8.360 nan 0.000 0.477 7 T N -0.446 114.130 114.554 0.036 0.000 2.856 7 T HA 0.220 4.588 4.350 0.029 0.000 0.306 7 T C 0.490 175.205 174.700 0.026 0.000 1.062 7 T CA -0.856 61.263 62.100 0.031 0.000 1.083 7 T CB 0.886 69.781 68.868 0.044 0.000 0.984 7 T HN 0.116 nan 8.240 nan 0.000 0.542 8 V N 4.300 124.229 119.914 0.025 0.000 2.394 8 V HA 0.360 4.497 4.120 0.029 0.000 0.282 8 V C -1.820 174.309 176.094 0.058 0.000 1.031 8 V CA -2.049 60.270 62.300 0.033 0.000 0.881 8 V CB 1.086 32.921 31.823 0.021 0.000 0.982 8 V HN 0.862 nan 8.190 nan 0.000 0.451 9 P HA 0.140 nan 4.420 nan 0.000 0.265 9 P C -0.790 176.556 177.300 0.076 0.000 1.222 9 P CA 0.259 63.399 63.100 0.067 0.000 0.767 9 P CB 1.036 32.767 31.700 0.052 0.000 0.801 10 V N 5.588 125.543 119.914 0.068 0.000 2.604 10 V HA 0.418 4.555 4.120 0.029 0.000 0.305 10 V C 0.371 176.491 176.094 0.044 0.000 1.043 10 V CA -0.494 61.809 62.300 0.004 0.000 0.888 10 V CB 2.172 33.896 31.823 -0.166 0.000 0.995 10 V HN 0.489 nan 8.190 nan 0.000 0.429 11 K N 4.130 124.536 120.400 0.011 0.000 2.443 11 K HA 0.680 5.018 4.320 0.029 0.000 0.251 11 K C -1.345 175.306 176.600 0.084 0.000 0.972 11 K CA -0.930 55.419 56.287 0.103 0.000 0.833 11 K CB 2.749 35.276 32.500 0.046 0.000 1.317 11 K HN 0.372 nan 8.250 nan 0.000 0.441 12 L N 1.829 123.110 121.223 0.097 0.000 2.418 12 L HA 0.260 4.617 4.340 0.029 0.000 0.265 12 L C 0.702 177.565 176.870 -0.010 0.000 1.143 12 L CA -0.430 54.430 54.840 0.034 0.000 0.809 12 L CB 0.374 42.366 42.059 -0.113 0.000 1.124 12 L HN 0.430 nan 8.230 nan 0.000 0.456 13 K N 1.980 122.370 120.400 -0.017 0.000 2.457 13 K HA -0.038 4.300 4.320 0.029 0.000 0.269 13 K C -2.161 174.430 176.600 -0.015 0.000 0.969 13 K CA -0.978 55.292 56.287 -0.029 0.000 0.921 13 K CB -0.120 32.370 32.500 -0.016 0.000 0.940 13 K HN 0.304 nan 8.250 nan 0.000 0.517 14 P HA -0.156 nan 4.420 nan 0.000 0.248 14 P C -0.038 177.267 177.300 0.008 0.000 1.127 14 P CA 1.203 64.300 63.100 -0.004 0.000 0.801 14 P CB -0.204 31.494 31.700 -0.004 0.000 0.732 15 G N 2.908 111.717 108.800 0.014 0.000 2.449 15 G HA2 -0.317 3.661 3.960 0.029 0.000 0.304 15 G HA3 -0.317 3.661 3.960 0.029 0.000 0.304 15 G C 0.283 175.202 174.900 0.032 0.000 0.962 15 G CA 0.282 45.397 45.100 0.026 0.000 0.943 15 G HN 0.405 nan 8.290 nan 0.000 0.514 16 M N -1.198 118.417 119.600 0.025 0.000 2.513 16 M HA 0.573 5.070 4.480 0.029 0.000 0.250 16 M C 0.201 176.529 176.300 0.046 0.000 1.145 16 M CA -0.620 54.701 55.300 0.035 0.000 0.948 16 M CB 0.799 33.414 32.600 0.025 0.000 1.405 16 M HN 0.140 nan 8.290 nan 0.000 0.546 17 D N -0.934 119.511 120.400 0.074 0.000 2.601 17 D HA 0.468 5.125 4.640 0.029 0.000 0.230 17 D C -0.569 175.818 176.300 0.144 0.000 1.106 17 D CA -0.221 53.869 54.000 0.150 0.000 0.873 17 D CB 1.599 42.541 40.800 0.237 0.000 1.515 17 D HN 0.649 nan 8.370 nan 0.000 0.468 18 G N 1.890 110.789 108.800 0.165 0.000 2.559 18 G HA2 0.256 4.233 3.960 0.029 0.000 0.235 18 G HA3 0.256 4.233 3.960 0.029 0.000 0.235 18 G C -2.110 173.044 174.900 0.422 0.000 1.266 18 G CA -0.798 44.335 45.100 0.056 0.000 0.847 18 G HN 0.449 nan 8.290 nan 0.000 0.583 19 P HA 0.131 nan 4.420 nan 0.000 0.267 19 P C -0.676 176.818 177.300 0.323 0.000 1.200 19 P CA 0.231 63.504 63.100 0.289 0.000 0.772 19 P CB 0.736 32.583 31.700 0.245 0.000 0.855 20 K N 1.128 121.650 120.400 0.204 0.000 3.350 20 K HA 0.278 4.615 4.320 0.029 0.000 0.181 20 K C -0.378 176.283 176.600 0.101 0.000 1.064 20 K CA -0.523 55.842 56.287 0.131 0.000 0.839 20 K CB 1.181 33.725 32.500 0.073 0.000 0.819 20 K HN 0.198 nan 8.250 nan 0.000 0.523 21 V N 1.636 121.620 119.914 0.117 0.000 2.546 21 V HA 0.257 4.394 4.120 0.029 0.000 0.284 21 V C -0.126 176.021 176.094 0.088 0.000 1.050 21 V CA -0.465 61.899 62.300 0.107 0.000 0.981 21 V CB 0.874 32.774 31.823 0.128 0.000 0.990 21 V HN 0.506 nan 8.190 nan 0.000 0.474 22 K N 4.729 125.176 120.400 0.079 0.000 2.237 22 K HA 0.328 4.666 4.320 0.029 0.000 0.270 22 K C -0.145 176.500 176.600 0.074 0.000 1.015 22 K CA -0.425 55.896 56.287 0.058 0.000 0.949 22 K CB 0.859 33.380 32.500 0.033 0.000 0.976 22 K HN 0.678 nan 8.250 nan 0.000 0.472 23 Q N 3.775 123.602 119.800 0.045 0.000 2.271 23 Q HA -0.044 4.313 4.340 0.029 0.000 0.273 23 Q C -1.128 174.927 176.000 0.092 0.000 1.051 23 Q CA -0.026 55.801 55.803 0.041 0.000 0.901 23 Q CB 0.352 29.098 28.738 0.013 0.000 1.174 23 Q HN 0.687 nan 8.270 nan 0.000 0.385 24 W N 7.608 128.839 121.300 -0.115 0.000 2.257 24 W HA 0.102 4.779 4.660 0.029 0.000 0.337 24 W C -2.226 174.276 176.519 -0.028 0.000 1.321 24 W CA -1.275 56.055 57.345 -0.025 0.000 1.267 24 W CB 0.628 30.107 29.460 0.030 0.000 1.187 24 W HN 0.568 nan 8.180 nan 0.000 0.565 25 P HA 0.272 nan 4.420 nan 0.000 0.285 25 P C -0.871 176.508 177.300 0.131 0.000 1.259 25 P CA 0.130 63.242 63.100 0.021 0.000 0.794 25 P CB 1.603 33.256 31.700 -0.079 0.000 0.940 26 L N 1.539 122.818 121.223 0.094 0.000 2.257 26 L HA 0.556 4.913 4.340 0.029 0.000 0.257 26 L C 1.177 178.070 176.870 0.039 0.000 1.033 26 L CA -0.915 53.979 54.840 0.090 0.000 0.835 26 L CB 2.027 44.116 42.059 0.049 0.000 1.398 26 L HN 0.362 nan 8.230 nan 0.000 0.429 27 T N -3.637 110.934 114.554 0.028 0.000 2.847 27 T HA 0.138 4.505 4.350 0.029 0.000 0.279 27 T C 0.905 175.608 174.700 0.005 0.000 0.984 27 T CA -0.315 61.800 62.100 0.025 0.000 0.988 27 T CB 1.152 70.050 68.868 0.050 0.000 1.040 27 T HN 0.816 nan 8.240 nan 0.000 0.528 28 E N 0.139 120.350 120.200 0.018 0.000 2.209 28 E HA -0.261 4.106 4.350 0.029 0.000 0.196 28 E C 1.779 178.388 176.600 0.017 0.000 0.993 28 E CA 1.478 57.887 56.400 0.015 0.000 0.819 28 E CB -0.176 29.539 29.700 0.025 0.000 0.745 28 E HN 0.874 nan 8.360 nan 0.000 0.477 29 E N 1.510 121.733 120.200 0.038 0.000 2.016 29 E HA -0.163 4.204 4.350 0.029 0.000 0.190 29 E C 1.947 178.504 176.600 -0.072 0.000 0.985 29 E CA 1.008 57.455 56.400 0.078 0.000 0.802 29 E CB 0.094 29.913 29.700 0.199 0.000 0.762 29 E HN 0.186 nan 8.360 nan 0.000 0.448 30 K N 0.240 120.510 120.400 -0.217 0.000 2.209 30 K HA -0.117 4.221 4.320 0.029 0.000 0.204 30 K C 2.157 178.550 176.600 -0.345 0.000 1.048 30 K CA 1.185 57.135 56.287 -0.561 0.000 0.940 30 K CB -0.074 32.162 32.500 -0.441 0.000 0.729 30 K HN 0.278 nan 8.250 nan 0.000 0.451 31 I N 1.014 121.488 120.570 -0.160 0.000 2.193 31 I HA -0.244 3.943 4.170 0.029 0.000 0.240 31 I C 2.320 178.401 176.117 -0.061 0.000 1.084 31 I CA 1.133 62.381 61.300 -0.086 0.000 1.365 31 I CB -0.183 37.794 38.000 -0.038 0.000 1.064 31 I HN 0.082 nan 8.210 nan 0.000 0.410 32 K N 0.869 121.246 120.400 -0.038 0.000 2.211 32 K HA -0.194 4.143 4.320 0.029 0.000 0.204 32 K C 2.137 178.739 176.600 0.004 0.000 1.047 32 K CA 1.428 57.717 56.287 0.002 0.000 0.935 32 K CB -0.107 32.412 32.500 0.033 0.000 0.728 32 K HN 0.343 nan 8.250 nan 0.000 0.452 33 A N 1.201 123.991 122.820 -0.051 0.000 1.840 33 A HA -0.111 4.226 4.320 0.029 0.000 0.214 33 A C 2.049 179.614 177.584 -0.033 0.000 1.198 33 A CA 1.010 53.030 52.037 -0.029 0.000 0.608 33 A CB -0.652 18.220 19.000 -0.213 0.000 0.839 33 A HN 0.188 nan 8.150 nan 0.000 0.443 34 L N -0.075 121.095 121.223 -0.088 0.000 2.187 34 L HA -0.188 4.169 4.340 0.029 0.000 0.213 34 L C 2.451 179.342 176.870 0.035 0.000 1.100 34 L CA 0.904 55.724 54.840 -0.033 0.000 0.765 34 L CB -0.507 41.526 42.059 -0.043 0.000 0.904 34 L HN 0.264 nan 8.230 nan 0.000 0.437 35 V N -0.415 119.520 119.914 0.037 0.000 2.307 35 V HA -0.266 3.871 4.120 0.029 0.000 0.245 35 V C 2.439 178.571 176.094 0.064 0.000 1.045 35 V CA 1.892 64.236 62.300 0.073 0.000 1.024 35 V CB -0.377 31.475 31.823 0.048 0.000 0.651 35 V HN 0.428 nan 8.190 nan 0.000 0.449 36 E N 0.794 121.019 120.200 0.042 0.000 2.012 36 E HA -0.233 4.134 4.350 0.029 0.000 0.197 36 E C 2.015 178.627 176.600 0.019 0.000 1.007 36 E CA 2.141 58.562 56.400 0.036 0.000 0.816 36 E CB -0.427 29.301 29.700 0.046 0.000 0.762 36 E HN 0.531 nan 8.360 nan 0.000 0.451 37 I N 0.219 120.795 120.570 0.010 0.000 2.145 37 I HA -0.413 3.774 4.170 0.029 0.000 0.244 37 I C 2.470 178.551 176.117 -0.060 0.000 1.075 37 I CA 1.337 62.624 61.300 -0.022 0.000 1.332 37 I CB -0.445 37.539 38.000 -0.026 0.000 1.033 37 I HN 0.352 nan 8.210 nan 0.000 0.410 38 C N 0.156 119.429 119.300 -0.046 0.000 2.432 38 C HA -0.108 4.369 4.460 0.029 0.000 0.280 38 C C 2.923 177.803 174.990 -0.183 0.000 1.353 38 C CA 1.262 60.188 59.018 -0.153 0.000 1.766 38 C CB -1.227 26.491 27.740 -0.036 0.000 1.924 38 C HN 0.530 nan 8.230 nan 0.000 0.509 39 T N 0.511 115.050 114.554 -0.025 0.000 2.951 39 T HA -0.127 4.240 4.350 0.029 0.000 0.268 39 T C 1.657 176.337 174.700 -0.033 0.000 1.073 39 T CA 1.572 63.678 62.100 0.011 0.000 1.134 39 T CB -0.137 68.761 68.868 0.050 0.000 0.884 39 T HN 0.647 nan 8.240 nan 0.000 0.479 40 E N 1.892 122.062 120.200 -0.049 0.000 2.001 40 E HA -0.036 4.332 4.350 0.029 0.000 0.193 40 E C 2.141 178.693 176.600 -0.079 0.000 0.994 40 E CA 1.310 57.680 56.400 -0.050 0.000 0.815 40 E CB -0.453 29.217 29.700 -0.050 0.000 0.770 40 E HN 0.355 nan 8.360 nan 0.000 0.453 41 M N 0.459 119.983 119.600 -0.126 0.000 2.143 41 M HA -0.233 4.264 4.480 0.029 0.000 0.258 41 M C 2.406 178.620 176.300 -0.144 0.000 1.071 41 M CA 2.097 57.307 55.300 -0.149 0.000 1.088 41 M CB -0.482 31.988 32.600 -0.216 0.000 1.360 41 M HN 0.324 nan 8.290 nan 0.000 0.404 42 E N 0.459 120.547 120.200 -0.188 0.000 2.118 42 E HA -0.224 4.143 4.350 0.029 0.000 0.195 42 E C 1.857 178.432 176.600 -0.042 0.000 0.992 42 E CA 1.152 57.469 56.400 -0.137 0.000 0.804 42 E CB 0.234 29.887 29.700 -0.078 0.000 0.741 42 E HN 0.258 nan 8.360 nan 0.000 0.458 43 K N 0.541 120.923 120.400 -0.030 0.000 2.166 43 K HA -0.010 4.328 4.320 0.029 0.000 0.201 43 K C 1.887 178.486 176.600 -0.002 0.000 1.052 43 K CA 0.743 57.027 56.287 -0.006 0.000 0.969 43 K CB -0.067 32.432 32.500 -0.001 0.000 0.761 43 K HN 0.233 nan 8.250 nan 0.000 0.459 44 E N -0.169 120.024 120.200 -0.011 0.000 2.331 44 E HA -0.136 4.231 4.350 0.029 0.000 0.199 44 E C 0.756 177.372 176.600 0.027 0.000 1.008 44 E CA 0.816 57.219 56.400 0.005 0.000 0.843 44 E CB -0.020 29.675 29.700 -0.008 0.000 0.761 44 E HN 0.518 nan 8.360 nan 0.000 0.507 45 G N 0.920 109.733 108.800 0.021 0.000 2.175 45 G HA2 -0.328 3.649 3.960 0.029 0.000 0.244 45 G HA3 -0.328 3.649 3.960 0.029 0.000 0.244 45 G C 0.858 175.799 174.900 0.068 0.000 0.982 45 G CA 0.539 45.664 45.100 0.041 0.000 0.641 45 G HN 0.245 nan 8.290 nan 0.000 0.527 46 K N -0.075 120.370 120.400 0.075 0.000 2.097 46 K HA 0.253 4.590 4.320 0.029 0.000 0.205 46 K C 1.544 178.201 176.600 0.095 0.000 1.050 46 K CA 1.480 57.861 56.287 0.158 0.000 0.938 46 K CB 0.057 32.683 32.500 0.209 0.000 0.718 46 K HN 0.822 nan 8.250 nan 0.000 0.442 47 I N -3.632 116.912 120.570 -0.043 0.000 3.002 47 I HA 0.452 4.640 4.170 0.029 0.000 0.310 47 I C -1.041 175.049 176.117 -0.045 0.000 1.087 47 I CA -0.954 60.284 61.300 -0.103 0.000 1.017 47 I CB 2.591 40.400 38.000 -0.318 0.000 1.226 47 I HN -0.325 nan 8.210 nan 0.000 0.443 48 S N 1.893 117.615 115.700 0.037 0.000 2.571 48 S HA 0.372 4.859 4.470 0.029 0.000 0.284 48 S C -0.756 173.982 174.600 0.230 0.000 1.128 48 S CA -0.706 57.561 58.200 0.112 0.000 0.970 48 S CB 1.715 64.956 63.200 0.068 0.000 1.039 48 S HN 0.605 nan 8.310 nan 0.000 0.485 49 K N 3.637 124.201 120.400 0.273 0.000 2.412 49 K HA 0.271 4.609 4.320 0.029 0.000 0.284 49 K C 0.100 176.672 176.600 -0.046 0.000 1.046 49 K CA 0.083 56.405 56.287 0.058 0.000 0.999 49 K CB -0.057 32.433 32.500 -0.017 0.000 0.941 49 K HN 0.618 nan 8.250 nan 0.000 0.474 50 I N -0.257 120.237 120.570 -0.126 0.000 3.436 50 I HA 0.790 4.977 4.170 0.029 0.000 0.296 50 I C 0.317 176.354 176.117 -0.134 0.000 1.143 50 I CA -1.108 60.132 61.300 -0.101 0.000 1.009 50 I CB 1.958 39.907 38.000 -0.085 0.000 1.301 50 I HN 0.584 nan 8.210 nan 0.000 0.503 51 G N -0.167 108.571 108.800 -0.103 0.000 3.021 51 G HA2 0.505 4.482 3.960 0.029 0.000 0.290 51 G HA3 0.505 4.482 3.960 0.029 0.000 0.290 51 G C -2.552 172.294 174.900 -0.089 0.000 1.291 51 G CA -0.916 44.122 45.100 -0.103 0.000 0.834 51 G HN 0.416 nan 8.290 nan 0.000 0.564 52 P HA -0.004 nan 4.420 nan 0.000 0.231 52 P C 1.061 178.320 177.300 -0.068 0.000 1.154 52 P CA 0.855 63.911 63.100 -0.073 0.000 0.762 52 P CB 0.364 32.025 31.700 -0.064 0.000 0.790 53 E N -1.007 119.155 120.200 -0.063 0.000 2.274 53 E HA -0.043 4.324 4.350 0.029 0.000 0.194 53 E C 0.692 177.253 176.600 -0.065 0.000 0.996 53 E CA 0.392 56.758 56.400 -0.056 0.000 0.840 53 E CB -0.476 29.197 29.700 -0.045 0.000 0.772 53 E HN 0.103 nan 8.360 nan 0.000 0.491 54 N N 0.507 119.165 118.700 -0.070 0.000 2.439 54 N HA 0.073 4.830 4.740 0.029 0.000 0.249 54 N C -2.042 173.386 175.510 -0.137 0.000 1.003 54 N CA -1.381 51.629 53.050 -0.067 0.000 0.942 54 N CB 1.321 39.791 38.487 -0.028 0.000 1.115 54 N HN -0.054 nan 8.380 nan 0.000 0.505 55 P HA 0.056 nan 4.420 nan 0.000 0.245 55 P C -0.418 176.632 177.300 -0.417 0.000 1.206 55 P CA 0.391 63.247 63.100 -0.405 0.000 0.781 55 P CB 0.186 31.573 31.700 -0.521 0.000 0.994 56 Y N 0.611 120.901 120.300 -0.017 0.000 2.316 56 Y HA 0.491 5.058 4.550 0.029 0.000 0.324 56 Y C 1.170 177.092 175.900 0.037 0.000 1.267 56 Y CA -0.196 57.921 58.100 0.028 0.000 1.311 56 Y CB 0.563 39.040 38.460 0.029 0.000 1.267 56 Y HN -0.123 nan 8.280 nan 0.000 0.516 57 N N -0.473 118.375 118.700 0.246 0.000 2.710 57 N HA 0.230 4.988 4.740 0.029 0.000 0.257 57 N C -1.982 173.630 175.510 0.170 0.000 1.140 57 N CA -0.285 52.868 53.050 0.173 0.000 0.953 57 N CB 1.967 40.510 38.487 0.094 0.000 1.664 57 N HN 0.652 nan 8.380 nan 0.000 0.497 58 T N 2.581 117.226 114.554 0.152 0.000 2.876 58 T HA 0.527 4.894 4.350 0.029 0.000 0.289 58 T C -2.733 171.952 174.700 -0.025 0.000 1.014 58 T CA -1.010 61.123 62.100 0.054 0.000 0.986 58 T CB 2.250 71.083 68.868 -0.059 0.000 1.021 58 T HN 0.321 nan 8.240 nan 0.000 0.458 59 P HA 0.193 nan 4.420 nan 0.000 0.276 59 P C -0.417 176.515 177.300 -0.612 0.000 1.264 59 P CA -0.189 62.724 63.100 -0.312 0.000 0.769 59 P CB 0.742 32.297 31.700 -0.242 0.000 0.840 60 V N 6.002 125.594 119.914 -0.536 0.000 2.567 60 V HA 0.452 4.589 4.120 0.029 0.000 0.289 60 V C -0.609 175.052 176.094 -0.722 0.000 1.049 60 V CA -0.218 61.779 62.300 -0.505 0.000 0.969 60 V CB 0.093 31.778 31.823 -0.230 0.000 0.995 60 V HN 0.283 nan 8.190 nan 0.000 0.471 61 F N 3.703 123.553 119.950 -0.166 0.000 2.639 61 F HA 0.864 5.408 4.527 0.029 0.000 0.339 61 F C 0.339 176.032 175.800 -0.179 0.000 1.071 61 F CA -0.509 57.378 58.000 -0.188 0.000 0.994 61 F CB 1.961 40.808 39.000 -0.254 0.000 1.341 61 F HN 0.583 nan 8.300 nan 0.000 0.498 62 A N 1.868 124.696 122.820 0.014 0.000 2.411 62 A HA 0.767 5.104 4.320 0.029 0.000 0.285 62 A C -1.317 176.209 177.584 -0.095 0.000 1.129 62 A CA -0.414 51.509 52.037 -0.190 0.000 0.736 62 A CB 0.305 18.986 19.000 -0.532 0.000 1.186 62 A HN 0.671 nan 8.150 nan 0.000 0.445 63 I N -0.102 120.558 120.570 0.150 0.000 2.785 63 I HA 0.889 5.076 4.170 0.029 0.000 0.302 63 I C -0.555 175.894 176.117 0.552 0.000 1.069 63 I CA -1.176 60.350 61.300 0.376 0.000 1.045 63 I CB 2.178 40.270 38.000 0.154 0.000 1.236 63 I HN 0.375 nan 8.210 nan 0.000 0.429 64 K N 3.424 124.063 120.400 0.399 0.000 2.235 64 K HA 0.577 4.914 4.320 0.029 0.000 0.266 64 K C -0.671 175.945 176.600 0.027 0.000 0.980 64 K CA -0.611 55.721 56.287 0.076 0.000 0.849 64 K CB 1.639 33.905 32.500 -0.390 0.000 1.098 64 K HN 0.734 nan 8.250 nan 0.000 0.445 65 K N 2.073 122.485 120.400 0.020 0.000 2.209 65 K HA 0.276 4.613 4.320 0.029 0.000 0.238 65 K C -0.410 176.175 176.600 -0.024 0.000 1.028 65 K CA -0.752 55.538 56.287 0.004 0.000 0.935 65 K CB 0.700 33.208 32.500 0.013 0.000 1.162 65 K HN 0.660 nan 8.250 nan 0.000 0.485 70 K N 1.132 121.477 120.400 -0.092 0.000 2.319 70 K HA 0.256 4.593 4.320 0.029 0.000 0.265 70 K C -0.726 175.893 176.600 0.032 0.000 1.000 70 K CA -0.301 55.957 56.287 -0.049 0.000 0.943 70 K CB 0.411 32.918 32.500 0.011 0.000 0.950 70 K HN 0.298 nan 8.250 nan 0.000 0.485 71 W N 5.077 126.378 121.300 0.000 0.000 2.368 71 W HA 0.141 4.818 4.660 0.029 0.000 0.316 71 W C 0.604 177.120 176.519 -0.004 0.000 1.375 71 W CA -0.826 56.521 57.345 0.003 0.000 1.261 71 W CB 0.612 30.079 29.460 0.010 0.000 1.298 71 W HN 0.507 nan 8.180 nan 0.000 0.539 72 R N 2.746 123.457 120.500 0.351 0.000 3.024 72 R HA 0.688 5.045 4.340 0.029 0.000 0.224 72 R C -0.706 175.646 176.300 0.087 0.000 1.490 72 R CA -1.242 54.949 56.100 0.153 0.000 1.057 72 R CB 1.081 31.444 30.300 0.105 0.000 1.723 72 R HN 0.313 nan 8.270 nan 0.000 0.520 73 K N 0.191 120.609 120.400 0.030 0.000 2.477 73 K HA 0.541 4.879 4.320 0.029 0.000 0.255 73 K C -1.889 174.713 176.600 0.003 0.000 0.952 73 K CA -0.802 55.479 56.287 -0.010 0.000 0.826 73 K CB 1.972 34.439 32.500 -0.055 0.000 1.331 73 K HN 0.338 nan 8.250 nan 0.000 0.437 74 L N 2.674 123.898 121.223 0.002 0.000 2.470 74 L HA 0.481 4.839 4.340 0.029 0.000 0.268 74 L C -1.829 175.031 176.870 -0.017 0.000 0.964 74 L CA -0.519 54.337 54.840 0.027 0.000 0.839 74 L CB 2.299 44.395 42.059 0.061 0.000 1.276 74 L HN 0.555 nan 8.230 nan 0.000 0.403 75 V N 3.024 122.887 119.914 -0.084 0.000 2.483 75 V HA 0.455 4.592 4.120 0.029 0.000 0.295 75 V C -0.711 175.227 176.094 -0.260 0.000 1.035 75 V CA -0.633 61.493 62.300 -0.291 0.000 0.896 75 V CB 1.712 33.248 31.823 -0.478 0.000 0.986 75 V HN 0.680 nan 8.190 nan 0.000 0.447 76 D N 2.855 123.110 120.400 -0.242 0.000 2.467 76 D HA 0.341 4.998 4.640 0.029 0.000 0.220 76 D C 0.236 176.453 176.300 -0.139 0.000 1.103 76 D CA -0.235 53.721 54.000 -0.073 0.000 0.886 76 D CB 0.558 41.448 40.800 0.149 0.000 1.025 76 D HN 0.439 nan 8.370 nan 0.000 0.514 77 F N 1.838 121.862 119.950 0.124 0.000 2.773 77 F HA 0.176 4.721 4.527 0.029 0.000 0.304 77 F C 2.239 178.133 175.800 0.156 0.000 1.129 77 F CA -0.343 57.753 58.000 0.160 0.000 1.378 77 F CB 0.224 39.352 39.000 0.214 0.000 1.095 77 F HN 0.183 nan 8.300 nan 0.000 0.565 78 R N 0.512 121.160 120.500 0.247 0.000 2.159 78 R HA -0.241 4.116 4.340 0.029 0.000 0.252 78 R C 1.966 178.381 176.300 0.192 0.000 1.144 78 R CA 1.958 58.167 56.100 0.181 0.000 0.961 78 R CB -0.319 30.055 30.300 0.124 0.000 0.877 78 R HN 0.256 nan 8.270 nan 0.000 0.444 79 E N 0.535 120.856 120.200 0.201 0.000 2.015 79 E HA -0.161 4.206 4.350 0.029 0.000 0.191 79 E C 1.983 178.722 176.600 0.231 0.000 0.991 79 E CA 0.701 57.215 56.400 0.190 0.000 0.802 79 E CB -0.670 29.136 29.700 0.177 0.000 0.759 79 E HN 0.130 nan 8.360 nan 0.000 0.447 80 L N 2.284 123.699 121.223 0.320 0.000 2.021 80 L HA -0.257 4.100 4.340 0.029 0.000 0.215 80 L C 1.590 178.680 176.870 0.366 0.000 1.074 80 L CA 1.912 56.967 54.840 0.358 0.000 0.760 80 L CB -0.989 41.392 42.059 0.538 0.000 0.889 80 L HN 0.032 nan 8.230 nan 0.000 0.433 81 N N 0.881 119.807 118.700 0.376 0.000 2.018 81 N HA -0.254 4.503 4.740 0.029 0.000 0.196 81 N C 1.603 177.210 175.510 0.161 0.000 1.043 81 N CA 2.096 55.297 53.050 0.251 0.000 0.856 81 N CB -0.599 37.989 38.487 0.168 0.000 1.042 81 N HN 0.638 nan 8.380 nan 0.000 0.423 82 K N 0.649 121.131 120.400 0.136 0.000 2.589 82 K HA -0.021 4.316 4.320 0.029 0.000 0.195 82 K C 1.356 178.007 176.600 0.085 0.000 1.040 82 K CA 1.166 57.508 56.287 0.091 0.000 0.950 82 K CB 0.019 32.570 32.500 0.085 0.000 0.781 82 K HN 0.145 nan 8.250 nan 0.000 0.486 83 R N 0.056 120.625 120.500 0.115 0.000 2.394 83 R HA 0.113 4.470 4.340 0.029 0.000 0.220 83 R C -0.127 176.230 176.300 0.095 0.000 0.887 83 R CA 0.018 56.168 56.100 0.084 0.000 1.034 83 R CB 0.702 31.045 30.300 0.072 0.000 1.179 83 R HN 0.071 nan 8.270 nan 0.000 0.561 84 T N 2.831 117.492 114.554 0.179 0.000 2.919 84 T HA 0.003 4.371 4.350 0.029 0.000 0.302 84 T C 0.346 175.048 174.700 0.002 0.000 1.031 84 T CA -0.195 62.038 62.100 0.221 0.000 1.127 84 T CB 1.129 70.219 68.868 0.370 0.000 0.952 84 T HN 0.229 nan 8.240 nan 0.000 0.540 85 Q N 2.752 122.481 119.800 -0.118 0.000 2.726 85 Q HA 0.047 4.404 4.340 0.029 0.000 0.242 85 Q C -0.672 175.020 176.000 -0.513 0.000 1.130 85 Q CA -0.055 55.567 55.803 -0.302 0.000 1.031 85 Q CB 0.452 28.952 28.738 -0.396 0.000 1.326 85 Q HN 0.499 nan 8.270 nan 0.000 0.572 86 D N 0.038 120.153 120.400 -0.475 0.000 2.225 86 D HA 0.360 5.017 4.640 0.029 0.000 0.249 86 D C -0.917 174.998 176.300 -0.640 0.000 1.052 86 D CA -0.081 53.678 54.000 -0.403 0.000 0.909 86 D CB 0.689 41.394 40.800 -0.158 0.000 1.186 86 D HN 0.331 nan 8.370 nan 0.000 0.431 87 F N 0.007 119.925 119.950 -0.053 0.000 2.598 87 F HA 0.288 4.832 4.527 0.029 0.000 0.327 87 F C 0.274 176.130 175.800 0.093 0.000 1.057 87 F CA -1.181 56.809 58.000 -0.016 0.000 0.957 87 F CB 1.328 40.259 39.000 -0.114 0.000 1.278 87 F HN 0.257 nan 8.300 nan 0.000 0.484 88 W N 3.486 124.848 121.300 0.102 0.000 2.368 88 W HA 0.198 4.876 4.660 0.029 0.000 0.316 88 W C -0.108 176.426 176.519 0.025 0.000 1.375 88 W CA -0.941 56.423 57.345 0.032 0.000 1.261 88 W CB 0.659 30.127 29.460 0.014 0.000 1.298 88 W HN 0.695 nan 8.180 nan 0.000 0.539 89 E N 2.199 121.986 120.200 -0.687 0.000 3.014 89 E HA -0.095 4.273 4.350 0.029 0.000 0.293 89 E C -0.492 175.857 176.600 -0.418 0.000 0.949 89 E CA 0.347 56.374 56.400 -0.621 0.000 0.993 89 E CB -0.211 28.965 29.700 -0.872 0.000 1.019 89 E HN 0.268 nan 8.360 nan 0.000 0.480 90 V N 0.105 119.862 119.914 -0.261 0.000 2.532 90 V HA 0.260 4.397 4.120 0.029 0.000 0.295 90 V C 0.423 176.431 176.094 -0.143 0.000 1.041 90 V CA -1.137 61.056 62.300 -0.178 0.000 0.926 90 V CB 1.497 33.223 31.823 -0.162 0.000 0.992 90 V HN 0.827 nan 8.190 nan 0.000 0.457 91 Q N 1.667 121.421 119.800 -0.077 0.000 3.892 91 Q HA -0.152 4.206 4.340 0.029 0.000 0.387 91 Q C 0.529 176.531 176.000 0.003 0.000 1.062 91 Q CA 0.712 56.514 55.803 -0.000 0.000 1.333 91 Q CB -0.081 28.720 28.738 0.104 0.000 0.993 91 Q HN 0.901 nan 8.270 nan 0.000 0.454 92 L N 2.655 123.857 121.223 -0.036 0.000 2.463 92 L HA 0.293 4.650 4.340 0.029 0.000 0.219 92 L C 0.797 177.673 176.870 0.010 0.000 1.088 92 L CA 0.581 55.403 54.840 -0.030 0.000 0.849 92 L CB 0.487 42.496 42.059 -0.084 0.000 1.012 92 L HN 0.560 nan 8.230 nan 0.000 0.468 93 G N 2.067 110.877 108.800 0.017 0.000 2.475 93 G HA2 0.458 4.435 3.960 0.029 0.000 0.322 93 G HA3 0.458 4.435 3.960 0.029 0.000 0.322 93 G C -0.233 174.718 174.900 0.085 0.000 1.044 93 G CA -0.469 44.648 45.100 0.028 0.000 1.047 93 G HN 0.293 nan 8.290 nan 0.000 0.436 94 I N 0.641 121.286 120.570 0.126 0.000 2.918 94 I HA 0.706 4.893 4.170 0.029 0.000 0.316 94 I C -2.253 173.936 176.117 0.120 0.000 1.001 94 I CA -2.597 58.840 61.300 0.228 0.000 1.142 94 I CB 1.396 39.609 38.000 0.355 0.000 1.356 94 I HN 0.131 nan 8.210 nan 0.000 0.524 95 P HA 0.209 nan 4.420 nan 0.000 0.272 95 P C -1.465 175.875 177.300 0.066 0.000 1.230 95 P CA 0.172 63.188 63.100 -0.139 0.000 0.788 95 P CB 0.265 31.648 31.700 -0.528 0.000 0.949 96 H N 1.304 120.280 119.070 -0.156 0.000 2.646 96 H HA 0.299 4.872 4.556 0.028 0.000 0.328 96 H C -1.906 173.264 175.328 -0.262 0.000 0.998 96 H CA -2.063 53.893 56.048 -0.154 0.000 1.225 96 H CB 1.075 30.704 29.762 -0.222 0.000 1.457 96 H HN 0.210 nan 8.280 nan 0.000 0.505 97 P HA -0.364 nan 4.420 nan 0.000 0.229 97 P C 0.898 177.955 177.300 -0.404 0.000 1.147 97 P CA 2.999 65.704 63.100 -0.659 0.000 0.949 97 P CB 0.052 31.031 31.700 -1.201 0.000 0.786 98 A N -1.460 121.034 122.820 -0.544 0.000 2.259 98 A HA 0.037 4.374 4.320 0.029 0.000 0.212 98 A C 2.134 179.859 177.584 0.234 0.000 1.178 98 A CA 1.649 53.691 52.037 0.009 0.000 0.734 98 A CB -1.342 17.757 19.000 0.165 0.000 0.774 98 A HN 0.364 nan 8.150 nan 0.000 0.481 99 G N -1.010 107.768 108.800 -0.037 0.000 3.020 99 G HA2 0.378 4.356 3.960 0.029 0.000 0.217 99 G HA3 0.378 4.356 3.960 0.029 0.000 0.217 99 G C 0.497 175.440 174.900 0.072 0.000 1.144 99 G CA -0.307 44.731 45.100 -0.102 0.000 0.760 99 G HN 0.385 nan 8.290 nan 0.000 0.548 100 L N 0.338 121.600 121.223 0.064 0.000 2.453 100 L HA 0.464 4.821 4.340 0.029 0.000 0.261 100 L C -0.021 176.896 176.870 0.078 0.000 1.179 100 L CA -0.699 54.119 54.840 -0.037 0.000 0.813 100 L CB 0.887 42.791 42.059 -0.258 0.000 1.110 100 L HN -0.137 nan 8.230 nan 0.000 0.466 101 K N 1.027 121.401 120.400 -0.042 0.000 2.098 101 K HA 0.301 4.639 4.320 0.029 0.000 0.258 101 K C -0.516 175.992 176.600 -0.153 0.000 0.973 101 K CA -0.746 55.545 56.287 0.007 0.000 0.898 101 K CB 1.263 33.763 32.500 0.000 0.000 1.057 101 K HN 0.405 nan 8.250 nan 0.000 0.447 102 K N 1.324 121.720 120.400 -0.007 0.000 2.219 102 K HA 0.214 4.551 4.320 0.029 0.000 0.258 102 K C -0.447 176.131 176.600 -0.036 0.000 1.008 102 K CA -0.122 56.158 56.287 -0.012 0.000 0.928 102 K CB 0.681 33.311 32.500 0.217 0.000 0.983 102 K HN 0.134 nan 8.250 nan 0.000 0.484 103 K N 2.182 122.566 120.400 -0.027 0.000 2.443 103 K HA 0.194 4.531 4.320 0.029 0.000 0.251 103 K C 0.021 176.626 176.600 0.008 0.000 0.972 103 K CA -0.909 55.374 56.287 -0.008 0.000 0.833 103 K CB 1.644 34.133 32.500 -0.018 0.000 1.317 103 K HN 0.551 nan 8.250 nan 0.000 0.441 104 K N 0.389 120.788 120.400 -0.003 0.000 2.031 104 K HA 0.095 4.432 4.320 0.029 0.000 0.205 104 K C 0.137 176.691 176.600 -0.076 0.000 1.049 104 K CA 1.195 57.471 56.287 -0.018 0.000 0.939 104 K CB 0.237 32.733 32.500 -0.007 0.000 0.717 104 K HN 0.443 nan 8.250 nan 0.000 0.438 105 S N -0.913 114.683 115.700 -0.174 0.000 2.549 105 S HA 0.572 5.060 4.470 0.029 0.000 0.280 105 S C -1.667 172.767 174.600 -0.278 0.000 1.109 105 S CA -0.920 57.045 58.200 -0.391 0.000 0.905 105 S CB 2.420 65.001 63.200 -1.031 0.000 1.081 105 S HN -0.125 nan 8.310 nan 0.000 0.477 106 V N 2.382 122.253 119.914 -0.072 0.000 2.623 106 V HA 0.627 4.764 4.120 0.029 0.000 0.304 106 V C -0.515 175.737 176.094 0.264 0.000 1.054 106 V CA -0.499 61.893 62.300 0.154 0.000 0.882 106 V CB 2.161 34.125 31.823 0.235 0.000 1.002 106 V HN 0.928 nan 8.190 nan 0.000 0.424 107 T N 3.272 117.966 114.554 0.234 0.000 2.908 107 T HA 0.626 4.993 4.350 0.029 0.000 0.290 107 T C -0.996 173.627 174.700 -0.129 0.000 1.034 107 T CA -0.568 61.627 62.100 0.158 0.000 1.010 107 T CB 2.197 71.196 68.868 0.219 0.000 1.068 107 T HN 0.535 nan 8.240 nan 0.000 0.481 108 V N 3.920 123.696 119.914 -0.230 0.000 2.357 108 V HA 0.496 4.633 4.120 0.029 0.000 0.281 108 V C -1.458 174.478 176.094 -0.263 0.000 1.015 108 V CA -0.823 61.175 62.300 -0.504 0.000 0.827 108 V CB 0.525 31.785 31.823 -0.939 0.000 1.018 108 V HN 0.651 nan 8.190 nan 0.000 0.432 109 L N 5.725 126.822 121.223 -0.211 0.000 2.331 109 L HA 0.465 4.822 4.340 0.029 0.000 0.278 109 L C 0.694 177.499 176.870 -0.109 0.000 1.106 109 L CA 0.542 55.316 54.840 -0.109 0.000 0.824 109 L CB 0.897 42.908 42.059 -0.081 0.000 1.142 109 L HN 0.615 nan 8.230 nan 0.000 0.443 110 D N 3.286 123.653 120.400 -0.054 0.000 2.557 110 D HA 0.066 4.723 4.640 0.029 0.000 0.236 110 D C -0.481 175.810 176.300 -0.014 0.000 1.154 110 D CA -0.434 53.543 54.000 -0.039 0.000 0.985 110 D CB 0.604 41.391 40.800 -0.022 0.000 1.010 110 D HN 0.190 nan 8.370 nan 0.000 0.516 111 V N 3.626 123.540 119.914 0.001 0.000 2.613 111 V HA -0.047 4.090 4.120 0.029 0.000 0.289 111 V C 1.982 178.089 176.094 0.022 0.000 0.985 111 V CA 0.628 62.953 62.300 0.040 0.000 1.181 111 V CB 0.011 31.902 31.823 0.113 0.000 0.883 111 V HN 0.519 nan 8.190 nan 0.000 0.465 112 G N 4.801 113.618 108.800 0.028 0.000 2.135 112 G HA2 -0.154 3.823 3.960 0.029 0.000 0.169 112 G HA3 -0.154 3.823 3.960 0.029 0.000 0.169 112 G C 0.352 175.274 174.900 0.037 0.000 1.597 112 G CA 0.224 45.333 45.100 0.014 0.000 0.996 112 G HN 0.754 nan 8.290 nan 0.000 0.373 113 D N 1.607 122.052 120.400 0.075 0.000 2.736 113 D HA 0.346 5.004 4.640 0.029 0.000 0.228 113 D C 1.593 178.027 176.300 0.223 0.000 1.077 113 D CA 0.592 54.688 54.000 0.159 0.000 1.096 113 D CB -0.093 40.793 40.800 0.143 0.000 1.138 113 D HN 0.413 nan 8.370 nan 0.000 0.461 114 A N 0.867 123.760 122.820 0.123 0.000 1.862 114 A HA -0.330 4.007 4.320 0.029 0.000 0.217 114 A C 1.524 179.194 177.584 0.142 0.000 1.251 114 A CA 1.374 53.418 52.037 0.011 0.000 0.673 114 A CB -1.107 17.480 19.000 -0.688 0.000 0.843 114 A HN 0.377 nan 8.150 nan 0.000 0.458 115 Y N -0.833 119.346 120.300 -0.202 0.000 1.938 115 Y HA -0.301 4.266 4.550 0.029 0.000 0.253 115 Y C 2.229 178.093 175.900 -0.059 0.000 1.163 115 Y CA 2.175 60.175 58.100 -0.166 0.000 1.086 115 Y CB -1.552 36.682 38.460 -0.376 0.000 0.928 115 Y HN 0.335 nan 8.280 nan 0.000 0.493 116 F N -0.584 119.515 119.950 0.248 0.000 2.605 116 F HA -0.151 4.393 4.527 0.029 0.000 0.296 116 F C 2.082 177.978 175.800 0.160 0.000 1.146 116 F CA 1.170 59.290 58.000 0.199 0.000 1.478 116 F CB -0.556 38.548 39.000 0.173 0.000 1.107 116 F HN -0.055 nan 8.300 nan 0.000 0.600 117 S N -1.091 114.789 115.700 0.299 0.000 2.524 117 S HA 0.141 4.628 4.470 0.029 0.000 0.216 117 S C 0.580 175.287 174.600 0.178 0.000 0.987 117 S CA -0.035 58.302 58.200 0.228 0.000 0.909 117 S CB 0.258 63.594 63.200 0.228 0.000 0.781 117 S HN -0.062 nan 8.310 nan 0.000 0.521 118 V N 3.610 123.620 119.914 0.160 0.000 2.435 118 V HA 0.364 4.501 4.120 0.029 0.000 0.290 118 V C -2.651 173.492 176.094 0.082 0.000 1.030 118 V CA -2.434 59.925 62.300 0.099 0.000 0.881 118 V CB 1.370 33.230 31.823 0.061 0.000 0.983 118 V HN 0.005 nan 8.190 nan 0.000 0.445 119 P HA 0.104 nan 4.420 nan 0.000 0.265 119 P C -0.399 176.931 177.300 0.049 0.000 1.193 119 P CA 0.073 63.215 63.100 0.070 0.000 0.765 119 P CB 0.536 32.275 31.700 0.066 0.000 0.823 120 L N 2.772 124.024 121.223 0.049 0.000 2.379 120 L HA 0.267 4.624 4.340 0.029 0.000 0.269 120 L C 0.488 177.384 176.870 0.045 0.000 1.084 120 L CA -0.649 54.202 54.840 0.017 0.000 0.802 120 L CB 1.006 43.059 42.059 -0.010 0.000 1.175 120 L HN 0.328 nan 8.230 nan 0.000 0.448 121 D N 2.087 122.517 120.400 0.050 0.000 2.389 121 D HA -0.081 4.577 4.640 0.029 0.000 0.263 121 D C 1.329 177.697 176.300 0.113 0.000 1.255 121 D CA 0.022 54.074 54.000 0.086 0.000 0.914 121 D CB 0.851 41.714 40.800 0.104 0.000 1.116 121 D HN 0.453 nan 8.370 nan 0.000 0.502 122 E N 2.930 123.181 120.200 0.085 0.000 2.114 122 E HA -0.311 4.056 4.350 0.029 0.000 0.199 122 E C 1.077 177.724 176.600 0.078 0.000 1.008 122 E CA 1.478 57.922 56.400 0.072 0.000 0.810 122 E CB -0.436 29.297 29.700 0.056 0.000 0.739 122 E HN 0.582 nan 8.360 nan 0.000 0.456 123 D N 0.061 120.524 120.400 0.105 0.000 2.104 123 D HA -0.132 4.525 4.640 0.029 0.000 0.194 123 D C 1.640 178.032 176.300 0.153 0.000 0.994 123 D CA 1.202 55.272 54.000 0.115 0.000 0.830 123 D CB -0.446 40.440 40.800 0.144 0.000 0.959 123 D HN 0.187 nan 8.370 nan 0.000 0.452 124 F N 1.234 121.227 119.950 0.071 0.000 2.186 124 F HA -0.041 4.504 4.527 0.029 0.000 0.299 124 F C 2.142 177.967 175.800 0.043 0.000 1.090 124 F CA 1.068 59.158 58.000 0.149 0.000 1.307 124 F CB -0.029 39.006 39.000 0.058 0.000 1.019 124 F HN -0.201 nan 8.300 nan 0.000 0.489 125 R N 0.693 121.234 120.500 0.069 0.000 2.227 125 R HA -0.343 4.014 4.340 0.029 0.000 0.259 125 R C 2.081 178.292 176.300 -0.148 0.000 1.139 125 R CA 2.762 58.848 56.100 -0.023 0.000 0.969 125 R CB -0.796 29.518 30.300 0.024 0.000 0.903 125 R HN 0.399 nan 8.270 nan 0.000 0.452 126 K N -0.484 119.743 120.400 -0.287 0.000 2.144 126 K HA -0.241 4.096 4.320 0.029 0.000 0.209 126 K C 1.811 178.146 176.600 -0.442 0.000 1.047 126 K CA 2.235 58.301 56.287 -0.370 0.000 0.927 126 K CB -0.655 31.550 32.500 -0.493 0.000 0.716 126 K HN 0.299 nan 8.250 nan 0.000 0.454 127 Y N 2.260 122.277 120.300 -0.471 0.000 2.352 127 Y HA -0.129 4.439 4.550 0.029 0.000 0.292 127 Y C 2.709 178.524 175.900 -0.143 0.000 1.136 127 Y CA 1.364 59.139 58.100 -0.541 0.000 1.227 127 Y CB -0.979 36.910 38.460 -0.951 0.000 0.991 127 Y HN 0.326 nan 8.280 nan 0.000 0.545 128 T N -1.824 112.766 114.554 0.061 0.000 3.163 128 T HA 0.240 4.608 4.350 0.029 0.000 0.260 128 T C 1.022 176.026 174.700 0.506 0.000 1.156 128 T CA 0.170 62.490 62.100 0.367 0.000 1.072 128 T CB -0.760 68.290 68.868 0.304 0.000 0.937 128 T HN 0.263 nan 8.240 nan 0.000 0.528 129 A N 1.775 124.764 122.820 0.282 0.000 2.565 129 A HA 0.482 4.820 4.320 0.029 0.000 0.237 129 A C 0.054 177.807 177.584 0.281 0.000 1.053 129 A CA -0.280 51.872 52.037 0.192 0.000 0.755 129 A CB -0.638 18.414 19.000 0.087 0.000 0.980 129 A HN 0.776 nan 8.150 nan 0.000 0.506 130 F N -0.752 119.263 119.950 0.109 0.000 2.664 130 F HA 0.855 5.399 4.527 0.029 0.000 0.317 130 F C -0.352 175.463 175.800 0.026 0.000 1.108 130 F CA -0.834 57.194 58.000 0.047 0.000 0.957 130 F CB 1.448 40.465 39.000 0.029 0.000 1.365 130 F HN 0.351 nan 8.300 nan 0.000 0.475 131 T N 2.120 116.773 114.554 0.165 0.000 2.921 131 T HA 0.510 4.877 4.350 0.029 0.000 0.297 131 T C -0.694 174.058 174.700 0.087 0.000 1.013 131 T CA -0.463 61.653 62.100 0.027 0.000 0.990 131 T CB 1.545 70.395 68.868 -0.031 0.000 1.023 131 T HN 0.591 nan 8.240 nan 0.000 0.447 132 I N 5.894 126.496 120.570 0.055 0.000 2.322 132 I HA 0.231 4.418 4.170 0.029 0.000 0.292 132 I C -1.688 174.428 176.117 -0.002 0.000 1.060 132 I CA -2.127 59.205 61.300 0.054 0.000 1.309 132 I CB 0.780 38.827 38.000 0.077 0.000 1.415 132 I HN 0.320 nan 8.210 nan 0.000 0.492 133 P HA -0.037 nan 4.420 nan 0.000 0.270 133 P C -0.258 177.032 177.300 -0.016 0.000 1.221 133 P CA -0.079 63.015 63.100 -0.010 0.000 0.788 133 P CB 0.932 32.632 31.700 0.001 0.000 0.904 134 S N -0.105 115.584 115.700 -0.019 0.000 2.722 134 S HA 0.408 4.895 4.470 0.029 0.000 0.292 134 S C 0.104 174.697 174.600 -0.012 0.000 1.135 134 S CA -0.757 57.431 58.200 -0.019 0.000 1.003 134 S CB 0.003 63.188 63.200 -0.024 0.000 1.067 134 S HN 0.188 nan 8.310 nan 0.000 0.546 135 I N 4.341 124.905 120.570 -0.009 0.000 2.818 135 I HA 0.036 4.223 4.170 0.029 0.000 0.285 135 I C 1.105 177.218 176.117 -0.006 0.000 1.160 135 I CA 0.879 62.177 61.300 -0.004 0.000 1.370 135 I CB -1.263 36.737 38.000 -0.001 0.000 1.440 135 I HN 0.703 nan 8.210 nan 0.000 0.555 136 N N 5.782 124.478 118.700 -0.005 0.000 2.586 136 N HA -0.277 4.480 4.740 0.029 0.000 0.282 136 N C 0.061 175.562 175.510 -0.016 0.000 1.171 136 N CA 0.316 53.360 53.050 -0.010 0.000 0.733 136 N CB -0.545 37.938 38.487 -0.007 0.000 0.910 136 N HN 0.794 nan 8.380 nan 0.000 0.548 137 N N 0.383 119.072 118.700 -0.019 0.000 2.689 137 N HA -0.207 4.550 4.740 0.029 0.000 0.263 137 N C 0.179 175.676 175.510 -0.022 0.000 0.987 137 N CA 1.825 54.861 53.050 -0.023 0.000 0.782 137 N CB -0.287 38.184 38.487 -0.027 0.000 0.903 137 N HN 0.696 nan 8.380 nan 0.000 0.547 138 E N -0.906 119.282 120.200 -0.021 0.000 3.753 138 E HA 0.180 4.547 4.350 0.029 0.000 0.554 138 E C 0.981 177.566 176.600 -0.025 0.000 0.301 138 E CA 0.435 56.823 56.400 -0.021 0.000 3.317 138 E CB -0.086 29.603 29.700 -0.018 0.000 2.350 138 E HN 0.565 nan 8.360 nan 0.000 0.382 139 T N 0.138 114.676 114.554 -0.027 0.000 2.698 139 T HA 0.196 4.564 4.350 0.029 0.000 0.295 139 T C -2.334 172.343 174.700 -0.038 0.000 1.007 139 T CA -1.411 60.670 62.100 -0.031 0.000 0.980 139 T CB -0.231 68.618 68.868 -0.031 0.000 1.036 139 T HN 0.011 nan 8.240 nan 0.000 0.526 140 P HA 0.256 nan 4.420 nan 0.000 0.264 140 P C 0.426 177.687 177.300 -0.064 0.000 1.179 140 P CA 0.160 63.226 63.100 -0.056 0.000 0.763 140 P CB 0.003 31.664 31.700 -0.064 0.000 0.806 141 G N 2.219 110.977 108.800 -0.070 0.000 2.557 141 G HA2 0.451 4.428 3.960 0.029 0.000 0.292 141 G HA3 0.451 4.428 3.960 0.029 0.000 0.292 141 G C -0.433 174.393 174.900 -0.123 0.000 1.237 141 G CA -0.612 44.443 45.100 -0.076 0.000 0.978 141 G HN 0.382 nan 8.290 nan 0.000 0.498 142 I N -0.030 120.453 120.570 -0.145 0.000 2.529 142 I HA 0.332 4.520 4.170 0.029 0.000 0.284 142 I C 0.618 176.511 176.117 -0.373 0.000 1.082 142 I CA -0.017 61.119 61.300 -0.274 0.000 1.406 142 I CB 0.805 38.644 38.000 -0.268 0.000 1.405 142 I HN 0.336 nan 8.210 nan 0.000 0.548 143 R N 5.098 125.285 120.500 -0.522 0.000 2.534 143 R HA 0.623 4.980 4.340 0.029 0.000 0.301 143 R C -1.384 174.498 176.300 -0.696 0.000 0.961 143 R CA -0.525 55.271 56.100 -0.507 0.000 0.871 143 R CB 1.963 32.080 30.300 -0.306 0.000 1.170 143 R HN 0.525 nan 8.270 nan 0.000 0.446 144 Y N 0.305 120.238 120.300 -0.613 0.000 2.876 144 Y HA 0.345 4.912 4.550 0.029 0.000 0.317 144 Y C -0.447 175.117 175.900 -0.560 0.000 1.369 144 Y CA -0.855 56.885 58.100 -0.600 0.000 1.101 144 Y CB 2.174 40.201 38.460 -0.721 0.000 1.346 144 Y HN 0.474 nan 8.280 nan 0.000 0.505 145 Q N -0.730 119.035 119.800 -0.058 0.000 2.527 145 Q HA 0.426 4.783 4.340 0.029 0.000 0.280 145 Q C -2.388 173.746 176.000 0.223 0.000 0.977 145 Q CA -1.031 54.849 55.803 0.128 0.000 0.837 145 Q CB 1.647 30.428 28.738 0.073 0.000 1.454 145 Q HN 0.614 nan 8.270 nan 0.000 0.387 146 Y N 1.229 121.668 120.300 0.233 0.000 2.301 146 Y HA 0.324 4.892 4.550 0.029 0.000 0.325 146 Y C 0.782 176.735 175.900 0.089 0.000 1.203 146 Y CA 0.011 58.221 58.100 0.184 0.000 1.255 146 Y CB 1.136 39.695 38.460 0.166 0.000 1.232 146 Y HN 0.709 nan 8.280 nan 0.000 0.501 147 N N 1.205 120.065 118.700 0.267 0.000 2.177 147 N HA 0.129 4.886 4.740 0.029 0.000 0.218 147 N C -0.889 174.714 175.510 0.155 0.000 1.182 147 N CA 0.346 53.493 53.050 0.162 0.000 0.882 147 N CB 1.077 39.637 38.487 0.122 0.000 1.052 147 N HN 0.372 nan 8.380 nan 0.000 0.519 148 V N -2.744 117.292 119.914 0.204 0.000 3.182 148 V HA 0.525 4.662 4.120 0.029 0.000 0.308 148 V C -0.302 175.798 176.094 0.010 0.000 1.240 148 V CA -1.224 61.158 62.300 0.136 0.000 1.063 148 V CB 1.483 33.436 31.823 0.218 0.000 1.076 148 V HN -0.267 nan 8.190 nan 0.000 0.446 149 L N 2.957 124.150 121.223 -0.050 0.000 2.562 149 L HA 0.374 4.731 4.340 0.029 0.000 0.271 149 L C -2.281 174.362 176.870 -0.379 0.000 1.167 149 L CA -0.745 54.021 54.840 -0.123 0.000 0.917 149 L CB -0.451 41.561 42.059 -0.077 0.000 1.187 149 L HN 0.560 nan 8.230 nan 0.000 0.482 150 P HA 0.083 nan 4.420 nan 0.000 0.280 150 P C -0.642 176.420 177.300 -0.397 0.000 1.244 150 P CA -0.591 62.003 63.100 -0.843 0.000 0.784 150 P CB 0.540 31.532 31.700 -1.180 0.000 0.913 151 Q N 2.289 121.843 119.800 -0.410 0.000 2.244 151 Q HA 0.182 4.540 4.340 0.029 0.000 0.278 151 Q C 1.395 177.405 176.000 0.017 0.000 1.093 151 Q CA 1.608 57.286 55.803 -0.209 0.000 0.916 151 Q CB -0.187 28.580 28.738 0.048 0.000 1.159 151 Q HN 0.902 nan 8.270 nan 0.000 0.384 152 G N 3.570 112.373 108.800 0.005 0.000 2.176 152 G HA2 -0.258 3.719 3.960 0.029 0.000 0.232 152 G HA3 -0.258 3.719 3.960 0.029 0.000 0.232 152 G C -0.443 174.561 174.900 0.172 0.000 0.986 152 G CA 0.011 45.184 45.100 0.122 0.000 0.643 152 G HN 0.603 nan 8.290 nan 0.000 0.522 153 W N 2.270 123.459 121.300 -0.184 0.000 2.365 153 W HA 0.645 5.322 4.660 0.029 0.000 0.316 153 W C 1.276 177.686 176.519 -0.182 0.000 1.164 153 W CA -0.542 56.597 57.345 -0.343 0.000 1.204 153 W CB 0.962 29.992 29.460 -0.718 0.000 1.213 153 W HN 0.119 nan 8.180 nan 0.000 0.539 154 K N 3.024 122.901 120.400 -0.871 0.000 2.049 154 K HA -0.234 4.104 4.320 0.029 0.000 0.219 154 K C 1.843 177.747 176.600 -1.160 0.000 1.056 154 K CA 2.439 58.242 56.287 -0.808 0.000 0.946 154 K CB -0.811 31.398 32.500 -0.485 0.000 0.723 154 K HN 0.789 nan 8.250 nan 0.000 0.453 155 G N -0.355 107.071 108.800 -2.291 0.000 2.598 155 G HA2 -0.129 3.848 3.960 0.029 0.000 0.215 155 G HA3 -0.129 3.848 3.960 0.029 0.000 0.215 155 G C 1.226 175.283 174.900 -1.404 0.000 1.131 155 G CA 0.624 44.322 45.100 -2.337 0.000 0.785 155 G HN 0.312 nan 8.290 nan 0.000 0.539 156 S N 1.986 117.153 115.700 -0.889 0.000 2.398 156 S HA -0.113 4.374 4.470 0.029 0.000 0.220 156 S C 0.228 174.526 174.600 -0.504 0.000 1.038 156 S CA 1.625 59.585 58.200 -0.401 0.000 1.080 156 S CB -1.107 62.033 63.200 -0.099 0.000 1.039 156 S HN 0.271 nan 8.310 nan 0.000 0.419 157 P HA -0.190 nan 4.420 nan 0.000 0.217 157 P C 1.419 178.542 177.300 -0.296 0.000 1.158 157 P CA 1.882 64.763 63.100 -0.364 0.000 0.887 157 P CB -0.189 31.375 31.700 -0.227 0.000 0.792 158 A N -1.106 121.485 122.820 -0.382 0.000 1.902 158 A HA -0.172 4.165 4.320 0.029 0.000 0.217 158 A C 2.246 179.645 177.584 -0.309 0.000 1.181 158 A CA 1.572 53.408 52.037 -0.335 0.000 0.623 158 A CB -1.536 17.206 19.000 -0.430 0.000 0.818 158 A HN 0.138 nan 8.150 nan 0.000 0.443 159 I N -1.999 118.334 120.570 -0.395 0.000 2.353 159 I HA -0.150 4.037 4.170 0.029 0.000 0.248 159 I C 2.328 178.309 176.117 -0.227 0.000 1.119 159 I CA 1.162 62.294 61.300 -0.281 0.000 1.417 159 I CB -0.294 37.551 38.000 -0.258 0.000 1.078 159 I HN 0.470 nan 8.210 nan 0.000 0.421 160 F N 1.744 121.472 119.950 -0.370 0.000 2.113 160 F HA -0.268 4.276 4.527 0.029 0.000 0.297 160 F C 2.707 178.344 175.800 -0.270 0.000 1.103 160 F CA 1.813 59.602 58.000 -0.352 0.000 1.248 160 F CB -0.390 38.290 39.000 -0.535 0.000 0.999 160 F HN -0.009 nan 8.300 nan 0.000 0.475 161 Q N -0.102 119.548 119.800 -0.250 0.000 2.135 161 Q HA -0.240 4.117 4.340 0.029 0.000 0.204 161 Q C 2.396 178.206 176.000 -0.317 0.000 0.981 161 Q CA 1.936 57.574 55.803 -0.275 0.000 0.856 161 Q CB -0.417 28.255 28.738 -0.110 0.000 0.902 161 Q HN 0.520 nan 8.270 nan 0.000 0.425 162 S N -0.293 115.252 115.700 -0.259 0.000 2.348 162 S HA -0.152 4.335 4.470 0.029 0.000 0.221 162 S C 2.047 176.479 174.600 -0.280 0.000 1.033 162 S CA 1.757 59.833 58.200 -0.208 0.000 1.010 162 S CB -0.316 62.793 63.200 -0.151 0.000 0.891 162 S HN 0.526 nan 8.310 nan 0.000 0.442 163 S N 1.414 116.898 115.700 -0.360 0.000 2.365 163 S HA -0.165 4.323 4.470 0.029 0.000 0.225 163 S C 1.852 176.152 174.600 -0.500 0.000 1.039 163 S CA 1.827 59.783 58.200 -0.407 0.000 1.033 163 S CB -0.558 62.379 63.200 -0.439 0.000 0.887 163 S HN 0.582 nan 8.310 nan 0.000 0.447 164 M N 1.900 121.123 119.600 -0.628 0.000 2.213 164 M HA -0.052 4.445 4.480 0.029 0.000 0.263 164 M C 1.891 177.977 176.300 -0.357 0.000 1.062 164 M CA 1.551 56.524 55.300 -0.545 0.000 1.105 164 M CB -1.345 30.907 32.600 -0.579 0.000 1.385 164 M HN 0.201 nan 8.290 nan 0.000 0.417 165 T N 0.385 114.766 114.554 -0.288 0.000 2.770 165 T HA -0.089 4.278 4.350 0.029 0.000 0.263 165 T C 1.784 176.371 174.700 -0.188 0.000 1.039 165 T CA 1.442 63.430 62.100 -0.186 0.000 1.142 165 T CB -0.092 68.699 68.868 -0.129 0.000 0.868 165 T HN 0.420 nan 8.240 nan 0.000 0.435 166 K N 0.903 121.166 120.400 -0.228 0.000 2.009 166 K HA -0.020 4.317 4.320 0.029 0.000 0.210 166 K C 2.175 178.593 176.600 -0.305 0.000 1.049 166 K CA 1.325 57.478 56.287 -0.224 0.000 0.929 166 K CB -0.436 31.922 32.500 -0.237 0.000 0.714 166 K HN 0.336 nan 8.250 nan 0.000 0.440 167 I N 1.271 121.548 120.570 -0.488 0.000 2.567 167 I HA -0.238 3.949 4.170 0.029 0.000 0.257 167 I C 1.837 177.787 176.117 -0.279 0.000 1.184 167 I CA 1.078 61.968 61.300 -0.682 0.000 1.451 167 I CB -0.208 37.230 38.000 -0.937 0.000 1.089 167 I HN 0.152 nan 8.210 nan 0.000 0.441 168 L N -0.228 120.897 121.223 -0.164 0.000 2.554 168 L HA 0.037 4.395 4.340 0.029 0.000 0.225 168 L C 2.282 179.190 176.870 0.063 0.000 1.104 168 L CA 0.192 55.026 54.840 -0.011 0.000 0.866 168 L CB -0.381 41.633 42.059 -0.075 0.000 1.047 168 L HN 0.218 nan 8.230 nan 0.000 0.468 169 E N 1.494 121.701 120.200 0.012 0.000 2.086 169 E HA -0.224 4.143 4.350 0.029 0.000 0.200 169 E C -0.594 176.049 176.600 0.071 0.000 1.012 169 E CA 1.835 58.254 56.400 0.031 0.000 0.812 169 E CB -0.493 29.208 29.700 0.002 0.000 0.743 169 E HN 0.337 nan 8.360 nan 0.000 0.453 170 P HA -0.190 nan 4.420 nan 0.000 0.208 170 P C 1.472 178.819 177.300 0.080 0.000 1.200 170 P CA 1.180 64.329 63.100 0.081 0.000 0.924 170 P CB -0.516 31.246 31.700 0.105 0.000 0.774 171 F N 1.414 121.306 119.950 -0.097 0.000 2.063 171 F HA -0.309 4.235 4.527 0.029 0.000 0.297 171 F C 2.652 178.426 175.800 -0.043 0.000 1.099 171 F CA 2.074 60.006 58.000 -0.112 0.000 1.220 171 F CB -0.386 38.562 39.000 -0.087 0.000 0.972 171 F HN -0.233 nan 8.300 nan 0.000 0.487 172 R N 0.239 120.942 120.500 0.339 0.000 2.097 172 R HA -0.237 4.121 4.340 0.029 0.000 0.236 172 R C 2.150 178.507 176.300 0.094 0.000 1.135 172 R CA 2.166 58.394 56.100 0.214 0.000 0.934 172 R CB -0.847 29.530 30.300 0.128 0.000 0.846 172 R HN 0.271 nan 8.270 nan 0.000 0.431 173 K N 1.090 121.523 120.400 0.055 0.000 2.020 173 K HA -0.196 4.141 4.320 0.029 0.000 0.212 173 K C 2.198 178.786 176.600 -0.021 0.000 1.050 173 K CA 1.830 58.127 56.287 0.016 0.000 0.929 173 K CB -0.125 32.382 32.500 0.011 0.000 0.714 173 K HN 0.284 nan 8.250 nan 0.000 0.443 174 Q N 0.017 119.779 119.800 -0.062 0.000 2.364 174 Q HA -0.060 4.297 4.340 0.029 0.000 0.209 174 Q C -0.006 175.887 176.000 -0.180 0.000 0.977 174 Q CA 0.692 56.413 55.803 -0.137 0.000 0.885 174 Q CB 0.065 28.675 28.738 -0.214 0.000 0.941 174 Q HN 0.244 nan 8.270 nan 0.000 0.464 175 N N 0.278 118.895 118.700 -0.138 0.000 2.642 175 N HA 0.109 4.866 4.740 0.029 0.000 0.308 175 N C -2.176 173.336 175.510 0.003 0.000 1.914 175 N CA -0.896 52.088 53.050 -0.110 0.000 0.893 175 N CB 1.103 39.471 38.487 -0.198 0.000 1.322 175 N HN 0.067 nan 8.380 nan 0.000 0.490 176 P HA -0.207 nan 4.420 nan 0.000 0.217 176 P C 0.500 177.820 177.300 0.033 0.000 1.162 176 P CA 1.701 64.813 63.100 0.021 0.000 0.901 176 P CB -0.003 31.701 31.700 0.006 0.000 0.793 177 D N -0.867 119.547 120.400 0.024 0.000 2.368 177 D HA 0.008 4.665 4.640 0.029 0.000 0.250 177 D C 0.621 176.958 176.300 0.062 0.000 1.142 177 D CA 0.283 54.304 54.000 0.035 0.000 0.925 177 D CB -1.040 39.776 40.800 0.026 0.000 0.896 177 D HN 0.280 nan 8.370 nan 0.000 0.525 178 I N 0.359 120.977 120.570 0.080 0.000 2.466 178 I HA 0.265 4.452 4.170 0.029 0.000 0.289 178 I C -0.948 175.240 176.117 0.118 0.000 1.026 178 I CA -1.219 60.154 61.300 0.122 0.000 1.078 178 I CB 2.464 40.576 38.000 0.187 0.000 1.249 178 I HN -0.259 nan 8.210 nan 0.000 0.429 179 V N 7.205 127.181 119.914 0.103 0.000 2.448 179 V HA 0.522 4.659 4.120 0.029 0.000 0.295 179 V C -0.036 176.108 176.094 0.084 0.000 1.025 179 V CA -0.487 61.862 62.300 0.082 0.000 0.859 179 V CB 1.878 33.733 31.823 0.053 0.000 0.988 179 V HN 0.476 nan 8.190 nan 0.000 0.431 180 I N 4.223 124.842 120.570 0.082 0.000 2.648 180 I HA 0.525 4.712 4.170 0.029 0.000 0.304 180 I C -1.108 175.105 176.117 0.161 0.000 1.009 180 I CA -0.857 60.494 61.300 0.084 0.000 1.114 180 I CB 2.070 40.080 38.000 0.016 0.000 1.293 180 I HN 0.686 nan 8.210 nan 0.000 0.449 181 Y N 4.417 124.732 120.300 0.026 0.000 2.329 181 Y HA 0.375 4.942 4.550 0.029 0.000 0.328 181 Y C -0.982 174.989 175.900 0.119 0.000 0.992 181 Y CA -0.835 57.279 58.100 0.023 0.000 1.151 181 Y CB 1.279 39.686 38.460 -0.087 0.000 1.150 181 Y HN 0.536 nan 8.280 nan 0.000 0.450 182 Q N 5.742 125.360 119.800 -0.303 0.000 2.241 182 Q HA 0.386 4.743 4.340 0.029 0.000 0.254 182 Q C -1.829 173.845 176.000 -0.543 0.000 0.917 182 Q CA -0.980 54.650 55.803 -0.289 0.000 0.919 182 Q CB 2.657 31.322 28.738 -0.121 0.000 1.237 182 Q HN 0.707 nan 8.270 nan 0.000 0.434 183 Y N 2.904 122.968 120.300 -0.393 0.000 2.299 183 Y HA 0.290 4.857 4.550 0.029 0.000 0.318 183 Y C -0.254 175.640 175.900 -0.009 0.000 1.205 183 Y CA -0.631 57.320 58.100 -0.247 0.000 1.106 183 Y CB 0.975 39.232 38.460 -0.338 0.000 1.246 183 Y HN 0.897 nan 8.280 nan 0.000 0.415 184 M N 2.446 121.697 119.600 -0.583 0.000 7.319 184 M HA -0.362 4.136 4.480 0.029 0.000 0.299 184 M C -0.065 176.151 176.300 -0.139 0.000 0.480 184 M CA 2.688 57.766 55.300 -0.370 0.000 1.311 184 M CB -1.182 31.228 32.600 -0.316 0.000 0.421 184 M HN 0.806 nan 8.290 nan 0.000 0.612 185 D N 0.557 120.920 120.400 -0.062 0.000 2.398 185 D HA 0.251 4.908 4.640 0.029 0.000 0.210 185 D C -0.699 175.608 176.300 0.012 0.000 1.094 185 D CA 0.246 54.202 54.000 -0.073 0.000 0.839 185 D CB 0.037 40.786 40.800 -0.085 0.000 0.963 185 D HN 0.346 nan 8.370 nan 0.000 0.506 186 D N 0.413 120.857 120.400 0.074 0.000 2.181 186 D HA 0.328 4.985 4.640 0.029 0.000 0.248 186 D C -0.072 176.221 176.300 -0.012 0.000 1.020 186 D CA -0.346 53.661 54.000 0.011 0.000 0.891 186 D CB 2.387 43.211 40.800 0.039 0.000 1.187 186 D HN -0.047 nan 8.370 nan 0.000 0.443 187 L N 2.538 123.670 121.223 -0.152 0.000 2.342 187 L HA 0.257 4.614 4.340 0.029 0.000 0.276 187 L C -1.113 175.625 176.870 -0.220 0.000 0.997 187 L CA -0.806 53.969 54.840 -0.108 0.000 0.838 187 L CB 0.926 42.924 42.059 -0.100 0.000 1.224 187 L HN 0.256 nan 8.230 nan 0.000 0.416 188 Y N 3.231 123.455 120.300 -0.127 0.000 2.383 188 Y HA 0.391 4.958 4.550 0.029 0.000 0.344 188 Y C 0.094 175.960 175.900 -0.057 0.000 0.986 188 Y CA -0.644 57.377 58.100 -0.132 0.000 1.175 188 Y CB 1.321 39.706 38.460 -0.126 0.000 1.152 188 Y HN 0.133 nan 8.280 nan 0.000 0.511 189 V N 3.781 123.720 119.914 0.041 0.000 2.378 189 V HA 0.778 4.915 4.120 0.029 0.000 0.288 189 V C 0.353 176.556 176.094 0.182 0.000 1.016 189 V CA -0.719 61.629 62.300 0.080 0.000 0.840 189 V CB 1.204 33.034 31.823 0.011 0.000 0.994 189 V HN 0.908 nan 8.190 nan 0.000 0.431 190 G N 2.867 111.770 108.800 0.173 0.000 2.568 190 G HA2 0.895 4.872 3.960 0.029 0.000 0.313 190 G HA3 0.895 4.872 3.960 0.029 0.000 0.313 190 G C -0.628 174.407 174.900 0.225 0.000 1.227 190 G CA -0.136 45.083 45.100 0.198 0.000 0.979 190 G HN 1.160 nan 8.290 nan 0.000 0.486 191 S N -1.368 114.446 115.700 0.191 0.000 2.645 191 S HA 0.351 4.838 4.470 0.029 0.000 0.268 191 S C -1.346 173.318 174.600 0.107 0.000 1.110 191 S CA -0.666 57.638 58.200 0.174 0.000 0.823 191 S CB 1.718 65.090 63.200 0.286 0.000 1.091 191 S HN 0.326 nan 8.310 nan 0.000 0.466 192 D N 0.785 121.236 120.400 0.085 0.000 2.402 192 D HA 0.350 5.007 4.640 0.029 0.000 0.216 192 D C 0.614 176.950 176.300 0.060 0.000 1.128 192 D CA -0.031 54.001 54.000 0.053 0.000 0.833 192 D CB 0.075 40.895 40.800 0.034 0.000 0.971 192 D HN 0.465 nan 8.370 nan 0.000 0.503 193 L N 0.440 121.721 121.223 0.097 0.000 2.470 193 L HA 0.133 4.490 4.340 0.029 0.000 0.243 193 L C 1.033 177.953 176.870 0.083 0.000 1.227 193 L CA -0.297 54.598 54.840 0.091 0.000 0.824 193 L CB 0.362 42.494 42.059 0.121 0.000 1.175 193 L HN -0.228 nan 8.230 nan 0.000 0.503 194 E N 0.984 121.228 120.200 0.073 0.000 2.283 194 E HA 0.075 4.442 4.350 0.029 0.000 0.278 194 E C 0.961 177.613 176.600 0.086 0.000 1.027 194 E CA -0.148 56.288 56.400 0.060 0.000 0.843 194 E CB 1.431 31.157 29.700 0.043 0.000 1.062 194 E HN 0.588 nan 8.360 nan 0.000 0.401 195 I N 1.526 122.135 120.570 0.065 0.000 2.210 195 I HA -0.359 3.828 4.170 0.029 0.000 0.249 195 I C 1.447 177.635 176.117 0.118 0.000 1.047 195 I CA 2.569 63.916 61.300 0.078 0.000 1.323 195 I CB -0.245 37.778 38.000 0.039 0.000 1.017 195 I HN 0.504 nan 8.210 nan 0.000 0.427 196 G N -0.318 108.533 108.800 0.085 0.000 2.394 196 G HA2 -0.196 3.781 3.960 0.029 0.000 0.214 196 G HA3 -0.196 3.781 3.960 0.029 0.000 0.214 196 G C 1.488 176.441 174.900 0.088 0.000 1.176 196 G CA 0.543 45.690 45.100 0.077 0.000 0.786 196 G HN 0.461 nan 8.290 nan 0.000 0.533 197 Q N 0.093 119.944 119.800 0.085 0.000 2.077 197 Q HA -0.194 4.163 4.340 0.029 0.000 0.206 197 Q C 2.151 178.210 176.000 0.100 0.000 0.989 197 Q CA 2.003 57.852 55.803 0.076 0.000 0.853 197 Q CB -0.619 28.161 28.738 0.071 0.000 0.907 197 Q HN 0.719 nan 8.270 nan 0.000 0.418 198 H N 0.535 119.635 119.070 0.050 0.000 2.253 198 H HA -0.099 4.474 4.556 0.029 0.000 0.296 198 H C 2.203 177.573 175.328 0.070 0.000 1.074 198 H CA 2.443 58.529 56.048 0.064 0.000 1.263 198 H CB -0.077 29.723 29.762 0.062 0.000 1.363 198 H HN 0.085 nan 8.280 nan 0.000 0.489 199 R N -0.293 120.316 120.500 0.182 0.000 2.133 199 R HA -0.210 4.147 4.340 0.029 0.000 0.245 199 R C 2.014 178.345 176.300 0.051 0.000 1.137 199 R CA 2.470 58.637 56.100 0.111 0.000 0.947 199 R CB -0.813 29.553 30.300 0.110 0.000 0.865 199 R HN 0.476 nan 8.270 nan 0.000 0.437 200 T N 1.697 116.281 114.554 0.050 0.000 2.580 200 T HA -0.152 4.215 4.350 0.029 0.000 0.265 200 T C 1.815 176.537 174.700 0.038 0.000 1.063 200 T CA 1.578 63.702 62.100 0.039 0.000 1.170 200 T CB -0.203 68.684 68.868 0.033 0.000 0.863 200 T HN 0.219 nan 8.240 nan 0.000 0.418 201 K N 0.858 121.272 120.400 0.022 0.000 2.074 201 K HA -0.062 4.275 4.320 0.029 0.000 0.209 201 K C 2.264 178.932 176.600 0.114 0.000 1.048 201 K CA 0.972 57.297 56.287 0.063 0.000 0.926 201 K CB -0.857 31.661 32.500 0.031 0.000 0.713 201 K HN 0.325 nan 8.250 nan 0.000 0.444 202 I N 1.132 121.688 120.570 -0.024 0.000 2.118 202 I HA -0.277 3.910 4.170 0.029 0.000 0.241 202 I C 2.384 178.525 176.117 0.041 0.000 1.070 202 I CA 1.521 62.800 61.300 -0.034 0.000 1.327 202 I CB -1.140 36.827 38.000 -0.054 0.000 1.034 202 I HN 0.223 nan 8.210 nan 0.000 0.405 203 E N 1.128 121.360 120.200 0.054 0.000 2.118 203 E HA -0.259 4.109 4.350 0.029 0.000 0.195 203 E C 2.124 178.788 176.600 0.107 0.000 0.992 203 E CA 1.613 58.054 56.400 0.070 0.000 0.804 203 E CB -0.237 29.499 29.700 0.060 0.000 0.741 203 E HN 0.493 nan 8.360 nan 0.000 0.458 204 E N -0.204 120.081 120.200 0.142 0.000 2.072 204 E HA -0.167 4.201 4.350 0.029 0.000 0.191 204 E C 2.156 178.959 176.600 0.337 0.000 0.985 204 E CA 0.949 57.468 56.400 0.199 0.000 0.801 204 E CB -0.196 29.603 29.700 0.164 0.000 0.750 204 E HN 0.392 nan 8.360 nan 0.000 0.452 205 L N 0.815 122.257 121.223 0.366 0.000 1.976 205 L HA -0.205 4.152 4.340 0.029 0.000 0.209 205 L C 2.873 179.799 176.870 0.093 0.000 1.071 205 L CA 1.559 56.472 54.840 0.123 0.000 0.746 205 L CB -0.413 41.451 42.059 -0.325 0.000 0.890 205 L HN 0.178 nan 8.230 nan 0.000 0.432 206 R N -0.404 120.127 120.500 0.052 0.000 2.134 206 R HA -0.291 4.067 4.340 0.029 0.000 0.248 206 R C 2.267 178.622 176.300 0.093 0.000 1.143 206 R CA 2.454 58.584 56.100 0.049 0.000 0.957 206 R CB -0.282 30.045 30.300 0.046 0.000 0.867 206 R HN 0.554 nan 8.270 nan 0.000 0.441 207 Q N -1.424 118.454 119.800 0.129 0.000 2.124 207 Q HA -0.222 4.136 4.340 0.029 0.000 0.202 207 Q C 2.046 178.170 176.000 0.207 0.000 0.977 207 Q CA 1.668 57.556 55.803 0.141 0.000 0.850 207 Q CB -0.196 28.621 28.738 0.132 0.000 0.901 207 Q HN 0.502 nan 8.270 nan 0.000 0.429 208 H N 0.940 120.104 119.070 0.158 0.000 2.352 208 H HA -0.121 4.452 4.556 0.029 0.000 0.299 208 H C 1.782 177.280 175.328 0.283 0.000 1.097 208 H CA 1.652 57.839 56.048 0.231 0.000 1.311 208 H CB -0.295 29.630 29.762 0.272 0.000 1.377 208 H HN 0.133 nan 8.280 nan 0.000 0.504 209 L N -0.443 120.822 121.223 0.070 0.000 1.994 209 L HA -0.184 4.173 4.340 0.029 0.000 0.208 209 L C 2.764 179.708 176.870 0.125 0.000 1.071 209 L CA 1.280 56.125 54.840 0.008 0.000 0.745 209 L CB -0.713 41.339 42.059 -0.012 0.000 0.892 209 L HN 0.270 nan 8.230 nan 0.000 0.431 210 L N -0.298 120.989 121.223 0.106 0.000 2.051 210 L HA -0.275 4.082 4.340 0.029 0.000 0.214 210 L C 2.793 179.710 176.870 0.079 0.000 1.076 210 L CA 1.277 56.172 54.840 0.091 0.000 0.758 210 L CB -0.464 41.638 42.059 0.072 0.000 0.890 210 L HN 0.259 nan 8.230 nan 0.000 0.433 211 R N -1.207 119.337 120.500 0.074 0.000 2.355 211 R HA -0.199 4.158 4.340 0.029 0.000 0.219 211 R C 1.015 177.135 176.300 -0.300 0.000 1.107 211 R CA 1.250 57.294 56.100 -0.094 0.000 1.021 211 R CB -0.067 30.177 30.300 -0.094 0.000 0.852 211 R HN 0.456 nan 8.270 nan 0.000 0.475 212 W N -1.480 119.786 121.300 -0.057 0.000 2.714 212 W HA 0.301 4.978 4.660 0.029 0.000 0.353 212 W C 0.679 177.182 176.519 -0.027 0.000 0.999 212 W CA 0.371 57.681 57.345 -0.058 0.000 1.629 212 W CB 0.892 30.282 29.460 -0.117 0.000 1.106 212 W HN 0.079 nan 8.180 nan 0.000 0.545 213 G N 1.627 110.529 108.800 0.170 0.000 2.288 213 G HA2 -0.197 3.780 3.960 0.029 0.000 0.205 213 G HA3 -0.197 3.780 3.960 0.029 0.000 0.205 213 G C -0.767 174.213 174.900 0.132 0.000 1.071 213 G CA -0.682 44.495 45.100 0.128 0.000 0.788 213 G HN 0.120 nan 8.290 nan 0.000 0.491 214 L N 1.043 122.337 121.223 0.119 0.000 2.388 214 L HA 0.338 4.695 4.340 0.029 0.000 0.267 214 L C 1.695 178.616 176.870 0.084 0.000 0.995 214 L CA -0.492 54.412 54.840 0.106 0.000 0.864 214 L CB 1.285 43.395 42.059 0.084 0.000 1.216 214 L HN 0.192 nan 8.230 nan 0.000 0.430 215 T N -0.753 113.850 114.554 0.082 0.000 2.803 215 T HA -0.186 4.182 4.350 0.029 0.000 0.269 215 T C 1.151 175.886 174.700 0.058 0.000 1.052 215 T CA 1.359 63.499 62.100 0.067 0.000 1.136 215 T CB -0.248 68.658 68.868 0.063 0.000 0.864 215 T HN 0.731 nan 8.240 nan 0.000 0.467 216 T N 4.059 118.646 114.554 0.054 0.000 1.304 216 T HA -0.138 4.229 4.350 0.029 0.000 0.701 216 T C -2.046 172.683 174.700 0.049 0.000 0.997 216 T CA -0.384 61.742 62.100 0.042 0.000 3.627 216 T CB 0.107 68.991 68.868 0.028 0.000 1.943 216 T HN 0.209 nan 8.240 nan 0.000 0.378 217 P HA 0.555 nan 4.420 nan 0.000 0.328 217 P C -1.013 176.325 177.300 0.064 0.000 1.305 217 P CA -0.129 63.014 63.100 0.072 0.000 0.745 217 P CB 0.778 32.545 31.700 0.111 0.000 1.462 218 D N -3.159 117.279 120.400 0.065 0.000 2.706 218 D HA 0.225 4.883 4.640 0.029 0.000 0.227 218 D C 0.046 176.373 176.300 0.046 0.000 1.233 218 D CA -0.479 53.555 54.000 0.056 0.000 0.768 218 D CB 1.522 42.352 40.800 0.050 0.000 1.490 218 D HN 0.327 nan 8.370 nan 0.000 0.458 219 K N 0.433 120.857 120.400 0.040 0.000 5.156 219 K HA -0.173 4.164 4.320 0.029 0.000 0.459 219 K C 0.867 177.464 176.600 -0.005 0.000 0.348 219 K CA 2.099 58.398 56.287 0.020 0.000 1.969 219 K CB -1.431 31.077 32.500 0.013 0.000 0.562 219 K HN 0.374 nan 8.250 nan 0.000 0.599 220 K N -0.379 120.001 120.400 -0.034 0.000 2.107 220 K HA 0.162 4.499 4.320 0.029 0.000 0.211 220 K C 1.780 178.301 176.600 -0.132 0.000 1.024 220 K CA 1.296 57.504 56.287 -0.133 0.000 0.953 220 K CB -0.352 31.988 32.500 -0.267 0.000 0.831 220 K HN 0.421 nan 8.250 nan 0.000 0.454 221 H N 1.320 120.407 119.070 0.028 0.000 2.546 221 H HA 0.035 4.608 4.556 0.029 0.000 0.277 221 H C 0.318 175.671 175.328 0.040 0.000 1.004 221 H CA 0.229 56.296 56.048 0.031 0.000 1.231 221 H CB 0.218 29.995 29.762 0.026 0.000 1.382 221 H HN 0.198 nan 8.280 nan 0.000 0.580 222 Q N 2.454 122.334 119.800 0.134 0.000 2.687 222 Q HA -0.101 4.257 4.340 0.029 0.000 0.341 222 Q C 0.150 176.221 176.000 0.119 0.000 1.074 222 Q CA 0.882 56.750 55.803 0.108 0.000 1.115 222 Q CB 0.188 28.974 28.738 0.081 0.000 0.996 222 Q HN 0.446 nan 8.270 nan 0.000 0.397 223 K N 2.701 123.185 120.400 0.140 0.000 2.202 223 K HA 0.209 4.546 4.320 0.029 0.000 0.264 223 K C 0.029 176.775 176.600 0.244 0.000 1.010 223 K CA -0.228 56.180 56.287 0.202 0.000 0.940 223 K CB 0.760 33.407 32.500 0.245 0.000 0.983 223 K HN 0.352 nan 8.250 nan 0.000 0.475 224 E N 2.163 122.472 120.200 0.181 0.000 2.263 224 E HA 0.267 4.634 4.350 0.029 0.000 0.268 224 E C -2.529 173.937 176.600 -0.224 0.000 0.884 224 E CA -2.240 54.182 56.400 0.036 0.000 0.766 224 E CB 1.695 31.411 29.700 0.027 0.000 1.196 224 E HN 0.351 nan 8.360 nan 0.000 0.416 225 P HA -0.038 nan 4.420 nan 0.000 0.269 225 P C -2.027 175.088 177.300 -0.308 0.000 1.200 225 P CA -0.375 62.225 63.100 -0.833 0.000 0.779 225 P CB -0.081 31.281 31.700 -0.563 0.000 0.841 226 P HA 0.183 nan 4.420 nan 0.000 0.288 226 P C -0.999 175.999 177.300 -0.503 0.000 1.291 226 P CA 0.181 63.015 63.100 -0.442 0.000 0.766 226 P CB 0.462 31.855 31.700 -0.513 0.000 1.242 227 F N -1.231 118.751 119.950 0.053 0.000 2.493 227 F HA 0.369 4.914 4.527 0.029 0.000 0.329 227 F C 0.492 176.408 175.800 0.194 0.000 1.126 227 F CA -0.871 57.219 58.000 0.149 0.000 0.937 227 F CB 1.074 40.200 39.000 0.211 0.000 1.146 227 F HN -0.008 nan 8.300 nan 0.000 0.442 228 L N 3.701 125.167 121.223 0.406 0.000 2.361 228 L HA 0.121 4.478 4.340 0.029 0.000 0.278 228 L C -0.719 176.416 176.870 0.440 0.000 1.113 228 L CA 0.053 55.091 54.840 0.331 0.000 0.849 228 L CB 0.589 42.782 42.059 0.223 0.000 1.155 228 L HN 0.660 nan 8.230 nan 0.000 0.452 229 W N 7.815 129.205 121.300 0.149 0.000 2.728 229 W HA 0.250 4.927 4.660 0.028 0.000 0.324 229 W C -0.271 176.331 176.519 0.138 0.000 1.012 229 W CA -1.157 56.236 57.345 0.081 0.000 1.279 229 W CB 1.445 30.911 29.460 0.010 0.000 1.289 229 W HN 0.627 nan 8.180 nan 0.000 0.418 230 M N 4.276 123.698 119.600 -0.296 0.000 3.051 230 M HA -0.180 4.317 4.480 0.029 0.000 0.169 230 M C 0.764 177.134 176.300 0.115 0.000 1.287 230 M CA 1.975 57.150 55.300 -0.208 0.000 0.779 230 M CB -1.992 30.384 32.600 -0.373 0.000 1.235 230 M HN 0.992 nan 8.290 nan 0.000 0.707 231 G N -0.540 108.263 108.800 0.005 0.000 2.179 231 G HA2 -0.282 3.695 3.960 0.029 0.000 0.260 231 G HA3 -0.282 3.695 3.960 0.029 0.000 0.260 231 G C -0.347 174.536 174.900 -0.030 0.000 0.977 231 G CA 0.587 45.655 45.100 -0.053 0.000 0.641 231 G HN 0.947 nan 8.290 nan 0.000 0.533 232 Y N -0.166 120.254 120.300 0.200 0.000 2.576 232 Y HA 0.667 5.234 4.550 0.028 0.000 0.346 232 Y C 0.243 176.273 175.900 0.217 0.000 1.018 232 Y CA -1.204 57.035 58.100 0.232 0.000 1.050 232 Y CB 1.471 40.039 38.460 0.179 0.000 1.280 232 Y HN 0.087 nan 8.280 nan 0.000 0.474 233 E N 2.357 122.780 120.200 0.372 0.000 2.145 233 E HA 0.473 4.840 4.350 0.029 0.000 0.270 233 E C -1.398 175.278 176.600 0.126 0.000 0.906 233 E CA -0.485 56.022 56.400 0.179 0.000 0.761 233 E CB 1.382 31.132 29.700 0.084 0.000 1.116 233 E HN 0.424 nan 8.360 nan 0.000 0.408 234 L N 4.335 125.626 121.223 0.113 0.000 2.295 234 L HA 0.427 4.784 4.340 0.029 0.000 0.285 234 L C 0.023 176.883 176.870 -0.017 0.000 1.035 234 L CA -0.714 54.245 54.840 0.198 0.000 0.806 234 L CB 0.747 43.013 42.059 0.346 0.000 1.214 234 L HN 0.452 nan 8.230 nan 0.000 0.426 235 H N 2.433 121.715 119.070 0.354 0.000 2.670 235 H HA 0.286 4.859 4.556 0.028 0.000 0.361 235 H C -1.894 173.636 175.328 0.336 0.000 1.169 235 H CA -2.017 54.167 56.048 0.226 0.000 1.198 235 H CB 1.987 31.838 29.762 0.148 0.000 1.700 235 H HN 0.278 nan 8.280 nan 0.000 0.542 236 P HA -0.132 nan 4.420 nan 0.000 0.219 236 P C 0.911 178.401 177.300 0.317 0.000 1.150 236 P CA 1.277 64.520 63.100 0.238 0.000 0.814 236 P CB 0.395 32.175 31.700 0.133 0.000 0.787 237 D N -0.484 120.096 120.400 0.301 0.000 2.137 237 D HA -0.060 4.597 4.640 0.029 0.000 0.202 237 D C 0.969 177.447 176.300 0.297 0.000 0.970 237 D CA 1.419 55.564 54.000 0.242 0.000 0.837 237 D CB -0.319 40.538 40.800 0.095 0.000 0.981 237 D HN 0.221 nan 8.370 nan 0.000 0.475 238 K N -0.978 119.583 120.400 0.267 0.000 2.428 238 K HA 0.288 4.625 4.320 0.029 0.000 0.279 238 K C -1.312 175.311 176.600 0.038 0.000 1.041 238 K CA -0.926 55.293 56.287 -0.114 0.000 0.887 238 K CB 1.220 33.596 32.500 -0.206 0.000 1.535 238 K HN 0.307 nan 8.250 nan 0.000 0.417 239 W N 0.237 121.445 121.300 -0.153 0.000 2.864 239 W HA 0.626 5.302 4.660 0.027 0.000 0.343 239 W C -1.288 175.341 176.519 0.183 0.000 1.109 239 W CA -1.005 56.370 57.345 0.051 0.000 1.192 239 W CB 1.067 30.478 29.460 -0.081 0.000 1.426 239 W HN 0.711 nan 8.180 nan 0.000 0.529 240 T N -1.335 113.569 114.554 0.583 0.000 2.903 240 T HA 0.505 4.872 4.350 0.029 0.000 0.299 240 T C -1.115 173.907 174.700 0.538 0.000 1.093 240 T CA -0.707 61.671 62.100 0.464 0.000 1.002 240 T CB 1.931 71.001 68.868 0.335 0.000 1.127 240 T HN 0.363 nan 8.240 nan 0.000 0.488 241 V N 2.763 122.920 119.914 0.405 0.000 2.455 241 V HA 0.209 4.346 4.120 0.029 0.000 0.273 241 V C 0.902 177.119 176.094 0.206 0.000 1.045 241 V CA -0.465 61.969 62.300 0.224 0.000 0.976 241 V CB 0.817 32.706 31.823 0.110 0.000 0.993 241 V HN 0.965 nan 8.190 nan 0.000 0.475 242 Q N 5.980 125.874 119.800 0.157 0.000 2.557 242 Q HA -0.023 4.334 4.340 0.029 0.000 0.316 242 Q C -2.153 173.939 176.000 0.153 0.000 1.130 242 Q CA -0.788 55.094 55.803 0.131 0.000 1.065 242 Q CB 0.162 28.939 28.738 0.065 0.000 1.014 242 Q HN 0.527 nan 8.270 nan 0.000 0.397 243 P HA -0.068 nan 4.420 nan 0.000 0.262 243 P C -0.557 176.799 177.300 0.092 0.000 1.199 243 P CA 0.382 63.571 63.100 0.149 0.000 0.763 243 P CB 0.295 32.067 31.700 0.119 0.000 0.790 244 I N 4.855 125.477 120.570 0.087 0.000 2.395 244 I HA 0.214 4.401 4.170 0.029 0.000 0.289 244 I C -0.299 175.820 176.117 0.005 0.000 1.023 244 I CA -0.787 60.536 61.300 0.037 0.000 1.350 244 I CB 0.764 38.804 38.000 0.067 0.000 1.409 244 I HN 0.054 nan 8.210 nan 0.000 0.507 245 V N 6.659 126.576 119.914 0.005 0.000 2.370 245 V HA 0.486 4.623 4.120 0.029 0.000 0.283 245 V C -0.420 175.687 176.094 0.022 0.000 1.023 245 V CA -0.707 61.598 62.300 0.009 0.000 0.857 245 V CB 1.189 33.017 31.823 0.010 0.000 0.985 245 V HN 0.593 nan 8.190 nan 0.000 0.443 246 L N 7.649 128.892 121.223 0.034 0.000 2.257 246 L HA 0.503 4.861 4.340 0.029 0.000 0.290 246 L C -1.773 175.161 176.870 0.106 0.000 1.044 246 L CA -1.547 53.341 54.840 0.081 0.000 0.810 246 L CB 1.666 43.769 42.059 0.073 0.000 1.193 246 L HN 0.541 nan 8.230 nan 0.000 0.425 247 P HA 0.120 nan 4.420 nan 0.000 0.271 247 P C -1.169 176.190 177.300 0.098 0.000 1.216 247 P CA -0.424 62.706 63.100 0.050 0.000 0.776 247 P CB 0.826 32.502 31.700 -0.039 0.000 0.881 248 E N 2.527 122.746 120.200 0.031 0.000 2.151 248 E HA 0.513 4.881 4.350 0.029 0.000 0.275 248 E C -0.385 176.157 176.600 -0.097 0.000 0.936 248 E CA -0.802 55.642 56.400 0.073 0.000 0.777 248 E CB 1.519 31.262 29.700 0.072 0.000 1.108 248 E HN 0.318 nan 8.360 nan 0.000 0.401 249 K N 1.359 121.641 120.400 -0.197 0.000 2.283 249 K HA 0.398 4.736 4.320 0.029 0.000 0.257 249 K C -0.637 175.849 176.600 -0.191 0.000 1.066 249 K CA -0.906 55.158 56.287 -0.371 0.000 0.891 249 K CB 1.367 33.356 32.500 -0.852 0.000 1.438 249 K HN 0.365 nan 8.250 nan 0.000 0.464 250 D N 0.067 120.353 120.400 -0.189 0.000 2.563 250 D HA 0.067 4.724 4.640 0.029 0.000 0.237 250 D C -0.834 175.438 176.300 -0.047 0.000 1.282 250 D CA 0.203 54.180 54.000 -0.039 0.000 0.816 250 D CB 1.291 42.079 40.800 -0.020 0.000 1.066 250 D HN 0.233 nan 8.370 nan 0.000 0.501 251 S N 0.706 116.290 115.700 -0.193 0.000 2.609 251 S HA 0.312 4.799 4.470 0.029 0.000 0.250 251 S C -1.961 172.515 174.600 -0.207 0.000 1.112 251 S CA -0.626 57.507 58.200 -0.112 0.000 1.102 251 S CB 0.129 63.266 63.200 -0.105 0.000 1.124 251 S HN 0.100 nan 8.310 nan 0.000 0.460 252 W N 3.535 124.832 121.300 -0.005 0.000 2.376 252 W HA 0.492 5.170 4.660 0.030 0.000 0.312 252 W C 0.935 177.451 176.519 -0.004 0.000 1.060 252 W CA -0.540 56.802 57.345 -0.005 0.000 1.221 252 W CB 1.497 30.953 29.460 -0.005 0.000 1.281 252 W HN 0.611 nan 8.180 nan 0.000 0.456 253 T N -1.596 113.081 114.554 0.206 0.000 2.862 253 T HA 0.312 4.679 4.350 0.029 0.000 0.276 253 T C 0.921 175.702 174.700 0.134 0.000 0.974 253 T CA -0.699 61.478 62.100 0.127 0.000 0.966 253 T CB 1.054 69.963 68.868 0.068 0.000 1.072 253 T HN 0.178 nan 8.240 nan 0.000 0.538 254 V N 1.533 121.497 119.914 0.084 0.000 2.237 254 V HA -0.198 3.940 4.120 0.029 0.000 0.245 254 V C 2.776 178.912 176.094 0.071 0.000 1.046 254 V CA 2.311 64.650 62.300 0.065 0.000 1.007 254 V CB -1.461 30.387 31.823 0.042 0.000 0.638 254 V HN 0.938 nan 8.190 nan 0.000 0.445 255 N N 0.109 118.846 118.700 0.060 0.000 2.073 255 N HA -0.281 4.476 4.740 0.029 0.000 0.199 255 N C 1.546 177.106 175.510 0.083 0.000 1.023 255 N CA 1.906 54.989 53.050 0.055 0.000 0.880 255 N CB -0.239 38.272 38.487 0.041 0.000 1.052 255 N HN 0.530 nan 8.380 nan 0.000 0.449 256 D N 0.746 121.219 120.400 0.122 0.000 2.116 256 D HA -0.156 4.501 4.640 0.029 0.000 0.193 256 D C 1.963 178.408 176.300 0.242 0.000 0.998 256 D CA 1.010 55.136 54.000 0.209 0.000 0.836 256 D CB -0.412 40.567 40.800 0.299 0.000 0.951 256 D HN 0.418 nan 8.370 nan 0.000 0.449 257 I N 0.694 121.374 120.570 0.183 0.000 2.394 257 I HA -0.255 3.933 4.170 0.029 0.000 0.251 257 I C 2.414 178.550 176.117 0.032 0.000 1.136 257 I CA 0.965 62.303 61.300 0.062 0.000 1.425 257 I CB -0.303 37.702 38.000 0.008 0.000 1.079 257 I HN 0.021 nan 8.210 nan 0.000 0.425 258 Q N 0.965 120.792 119.800 0.046 0.000 1.994 258 Q HA -0.161 4.197 4.340 0.029 0.000 0.198 258 Q C 2.257 178.280 176.000 0.038 0.000 0.976 258 Q CA 1.173 56.995 55.803 0.032 0.000 0.828 258 Q CB -0.146 28.611 28.738 0.031 0.000 0.894 258 Q HN 0.392 nan 8.270 nan 0.000 0.432 259 K N 0.561 120.992 120.400 0.050 0.000 2.089 259 K HA -0.213 4.125 4.320 0.029 0.000 0.210 259 K C 2.149 178.781 176.600 0.054 0.000 1.048 259 K CA 1.096 57.411 56.287 0.047 0.000 0.926 259 K CB -0.321 32.210 32.500 0.050 0.000 0.714 259 K HN 0.097 nan 8.250 nan 0.000 0.448 260 L N 1.097 122.364 121.223 0.074 0.000 1.994 260 L HA -0.175 4.182 4.340 0.029 0.000 0.208 260 L C 2.127 179.011 176.870 0.024 0.000 1.071 260 L CA 1.531 56.408 54.840 0.062 0.000 0.745 260 L CB -0.577 41.509 42.059 0.044 0.000 0.892 260 L HN -0.112 nan 8.230 nan 0.000 0.431 261 V N 0.422 120.339 119.914 0.006 0.000 2.380 261 V HA -0.264 3.873 4.120 0.029 0.000 0.251 261 V C 2.588 178.703 176.094 0.035 0.000 1.063 261 V CA 1.744 64.046 62.300 0.004 0.000 1.055 261 V CB -1.763 30.059 31.823 -0.002 0.000 0.657 261 V HN 0.680 nan 8.190 nan 0.000 0.455 262 G N -0.127 108.700 108.800 0.044 0.000 2.511 262 G HA2 -0.259 3.718 3.960 0.029 0.000 0.216 262 G HA3 -0.259 3.718 3.960 0.029 0.000 0.216 262 G C 1.618 176.577 174.900 0.097 0.000 1.218 262 G CA 0.936 46.074 45.100 0.063 0.000 0.788 262 G HN 0.465 nan 8.290 nan 0.000 0.560 263 K N -0.043 120.402 120.400 0.075 0.000 2.113 263 K HA -0.013 4.325 4.320 0.029 0.000 0.208 263 K C 2.562 179.256 176.600 0.157 0.000 1.047 263 K CA 0.881 57.228 56.287 0.101 0.000 0.928 263 K CB -0.304 32.223 32.500 0.045 0.000 0.716 263 K HN 0.277 nan 8.250 nan 0.000 0.446 264 L N 1.119 122.397 121.223 0.092 0.000 2.017 264 L HA -0.215 4.142 4.340 0.029 0.000 0.208 264 L C 2.452 179.378 176.870 0.093 0.000 1.073 264 L CA 1.096 55.977 54.840 0.067 0.000 0.745 264 L CB -0.635 41.433 42.059 0.015 0.000 0.894 264 L HN 0.334 nan 8.230 nan 0.000 0.432 265 N N -0.400 118.357 118.700 0.095 0.000 2.137 265 N HA -0.278 4.479 4.740 0.029 0.000 0.190 265 N C 1.861 177.444 175.510 0.120 0.000 1.017 265 N CA 1.770 54.873 53.050 0.088 0.000 0.859 265 N CB -0.148 38.391 38.487 0.087 0.000 1.002 265 N HN 0.408 nan 8.380 nan 0.000 0.428 266 W N 1.587 122.894 121.300 0.012 0.000 2.388 266 W HA 0.047 4.726 4.660 0.032 0.000 0.294 266 W C 2.423 178.963 176.519 0.035 0.000 1.212 266 W CA 1.849 59.205 57.345 0.018 0.000 1.271 266 W CB -0.411 29.054 29.460 0.009 0.000 1.126 266 W HN 0.122 nan 8.180 nan 0.000 0.535 267 A N -0.412 122.540 122.820 0.221 0.000 1.969 267 A HA -0.169 4.168 4.320 0.029 0.000 0.218 267 A C 2.011 179.609 177.584 0.024 0.000 1.169 267 A CA 1.967 54.088 52.037 0.141 0.000 0.635 267 A CB -1.132 17.952 19.000 0.141 0.000 0.810 267 A HN 0.224 nan 8.150 nan 0.000 0.445 268 S N -0.095 115.594 115.700 -0.017 0.000 2.387 268 S HA -0.222 4.266 4.470 0.029 0.000 0.230 268 S C 2.141 176.668 174.600 -0.121 0.000 1.035 268 S CA 1.526 59.700 58.200 -0.043 0.000 1.014 268 S CB -0.305 62.873 63.200 -0.036 0.000 0.836 268 S HN 0.626 nan 8.310 nan 0.000 0.466 269 Q N 0.784 120.447 119.800 -0.229 0.000 2.002 269 Q HA -0.045 4.312 4.340 0.029 0.000 0.204 269 Q C 2.281 178.106 176.000 -0.292 0.000 0.988 269 Q CA 1.433 57.050 55.803 -0.309 0.000 0.843 269 Q CB -0.624 27.857 28.738 -0.430 0.000 0.908 269 Q HN 0.561 nan 8.270 nan 0.000 0.420 270 I N -1.096 119.285 120.570 -0.315 0.000 2.206 270 I HA -0.169 4.019 4.170 0.029 0.000 0.239 270 I C 0.464 176.432 176.117 -0.248 0.000 1.078 270 I CA 0.429 61.560 61.300 -0.282 0.000 1.367 270 I CB -0.224 37.551 38.000 -0.374 0.000 1.078 270 I HN 0.031 nan 8.210 nan 0.000 0.413 271 Y N 1.906 122.129 120.300 -0.127 0.000 2.319 271 Y HA 0.231 4.798 4.550 0.027 0.000 0.328 271 Y C -2.210 173.638 175.900 -0.086 0.000 1.133 271 Y CA -2.408 55.645 58.100 -0.080 0.000 1.265 271 Y CB -0.126 38.306 38.460 -0.048 0.000 1.218 271 Y HN -0.068 nan 8.280 nan 0.000 0.508 272 P HA 0.286 nan 4.420 nan 0.000 0.293 272 P C 0.506 177.822 177.300 0.027 0.000 1.300 272 P CA 0.267 63.374 63.100 0.013 0.000 0.792 272 P CB 1.396 33.084 31.700 -0.021 0.000 0.925 273 G N 3.054 111.856 108.800 0.002 0.000 2.232 273 G HA2 -0.191 3.786 3.960 0.029 0.000 0.226 273 G HA3 -0.191 3.786 3.960 0.029 0.000 0.226 273 G C 0.205 175.099 174.900 -0.010 0.000 0.996 273 G CA -0.580 44.517 45.100 -0.005 0.000 0.626 273 G HN 0.438 nan 8.290 nan 0.000 0.509 274 I N 1.637 122.205 120.570 -0.003 0.000 2.845 274 I HA 0.235 4.423 4.170 0.029 0.000 0.296 274 I C 0.727 176.832 176.117 -0.021 0.000 1.216 274 I CA 1.028 62.318 61.300 -0.016 0.000 1.438 274 I CB 0.287 38.282 38.000 -0.008 0.000 1.342 274 I HN 0.224 nan 8.210 nan 0.000 0.577 275 K N 4.598 124.981 120.400 -0.029 0.000 2.477 275 K HA 0.583 4.920 4.320 0.029 0.000 0.255 275 K C -0.139 176.438 176.600 -0.038 0.000 0.952 275 K CA -0.602 55.667 56.287 -0.031 0.000 0.826 275 K CB 2.989 35.469 32.500 -0.033 0.000 1.331 275 K HN 0.389 nan 8.250 nan 0.000 0.437 276 V N -1.415 118.478 119.914 -0.036 0.000 3.355 276 V HA 0.203 4.340 4.120 0.029 0.000 0.330 276 V C 1.401 177.469 176.094 -0.044 0.000 1.479 276 V CA -0.224 62.049 62.300 -0.045 0.000 1.150 276 V CB 0.345 32.147 31.823 -0.035 0.000 1.044 276 V HN 0.802 nan 8.190 nan 0.000 0.501 277 R N 0.845 121.321 120.500 -0.039 0.000 2.112 277 R HA -0.186 4.172 4.340 0.029 0.000 0.242 277 R C 2.225 178.500 176.300 -0.043 0.000 1.137 277 R CA 2.763 58.842 56.100 -0.036 0.000 0.944 277 R CB -0.095 30.185 30.300 -0.033 0.000 0.857 277 R HN 0.593 nan 8.270 nan 0.000 0.435 278 Q N 0.207 119.976 119.800 -0.052 0.000 2.230 278 Q HA -0.021 4.336 4.340 0.029 0.000 0.202 278 Q C 1.045 176.998 176.000 -0.077 0.000 0.963 278 Q CA 0.709 56.476 55.803 -0.060 0.000 0.866 278 Q CB -0.180 28.520 28.738 -0.064 0.000 0.931 278 Q HN 0.328 nan 8.270 nan 0.000 0.452 282 L N 2.183 123.382 121.223 -0.041 0.000 2.353 282 L HA -0.068 4.289 4.340 0.029 0.000 0.220 282 L C 1.749 178.608 176.870 -0.018 0.000 1.133 282 L CA 1.033 55.852 54.840 -0.035 0.000 0.798 282 L CB -0.307 41.718 42.059 -0.057 0.000 0.922 282 L HN 0.243 nan 8.230 nan 0.000 0.445 283 L N -0.666 120.548 121.223 -0.015 0.000 2.492 283 L HA 0.002 4.360 4.340 0.029 0.000 0.223 283 L C 1.034 177.904 176.870 -0.001 0.000 1.132 283 L CA 0.007 54.845 54.840 -0.004 0.000 0.850 283 L CB -0.270 41.788 42.059 -0.003 0.000 0.966 283 L HN 0.139 nan 8.230 nan 0.000 0.454 284 R N 1.188 121.686 120.500 -0.004 0.000 2.501 284 R HA 0.061 4.418 4.340 0.029 0.000 0.319 284 R C 1.163 177.464 176.300 0.001 0.000 0.913 284 R CA 0.743 56.842 56.100 -0.002 0.000 1.104 284 R CB -0.409 29.888 30.300 -0.005 0.000 0.901 284 R HN 0.325 nan 8.270 nan 0.000 0.407 285 G N 2.673 111.475 108.800 0.003 0.000 2.249 285 G HA2 -0.331 3.646 3.960 0.029 0.000 0.273 285 G HA3 -0.331 3.646 3.960 0.029 0.000 0.273 285 G C 0.267 175.172 174.900 0.007 0.000 1.036 285 G CA 0.567 45.670 45.100 0.005 0.000 0.824 285 G HN 0.730 nan 8.290 nan 0.000 0.504 286 T N -1.845 112.714 114.554 0.009 0.000 2.901 286 T HA 0.497 4.865 4.350 0.029 0.000 0.301 286 T C 1.349 176.057 174.700 0.012 0.000 1.012 286 T CA 0.320 62.427 62.100 0.012 0.000 1.135 286 T CB 1.658 70.535 68.868 0.015 0.000 0.936 286 T HN 0.701 nan 8.240 nan 0.000 0.539 287 K N 1.003 121.411 120.400 0.013 0.000 2.361 287 K HA 0.528 4.865 4.320 0.029 0.000 0.194 287 K C 0.358 176.966 176.600 0.013 0.000 1.032 287 K CA -0.277 56.018 56.287 0.012 0.000 1.048 287 K CB 0.503 33.010 32.500 0.011 0.000 0.842 287 K HN 0.731 nan 8.250 nan 0.000 0.526 288 A N 0.764 123.593 122.820 0.016 0.000 2.565 288 A HA 0.338 4.675 4.320 0.029 0.000 0.298 288 A C 0.157 177.753 177.584 0.020 0.000 1.062 288 A CA -0.793 51.254 52.037 0.016 0.000 0.723 288 A CB 0.567 19.576 19.000 0.015 0.000 1.282 288 A HN 0.125 nan 8.150 nan 0.000 0.400 289 L N 1.175 122.410 121.223 0.019 0.000 2.089 289 L HA -0.214 4.144 4.340 0.029 0.000 0.213 289 L C 2.705 179.591 176.870 0.027 0.000 1.079 289 L CA 2.439 57.293 54.840 0.023 0.000 0.758 289 L CB -0.463 41.608 42.059 0.019 0.000 0.891 289 L HN 0.944 nan 8.230 nan 0.000 0.433 290 T N -3.651 110.916 114.554 0.022 0.000 3.113 290 T HA -0.035 4.333 4.350 0.029 0.000 0.256 290 T C 0.757 175.473 174.700 0.026 0.000 1.131 290 T CA -0.228 61.884 62.100 0.021 0.000 1.074 290 T CB -0.337 68.539 68.868 0.013 0.000 0.944 290 T HN 0.343 nan 8.240 nan 0.000 0.516 291 E N 1.193 121.410 120.200 0.028 0.000 2.437 291 E HA 0.147 4.515 4.350 0.029 0.000 0.263 291 E C -0.981 175.646 176.600 0.044 0.000 1.030 291 E CA -0.237 56.181 56.400 0.031 0.000 0.934 291 E CB 0.596 30.313 29.700 0.028 0.000 0.943 291 E HN 0.121 nan 8.360 nan 0.000 0.444 292 V N 6.081 126.022 119.914 0.044 0.000 2.294 292 V HA 0.224 4.362 4.120 0.029 0.000 0.272 292 V C -0.306 175.828 176.094 0.068 0.000 1.027 292 V CA -0.536 61.802 62.300 0.063 0.000 0.823 292 V CB 0.506 32.358 31.823 0.049 0.000 1.030 292 V HN 0.487 nan 8.190 nan 0.000 0.457 293 I N 8.497 129.118 120.570 0.085 0.000 2.359 293 I HA 0.467 4.654 4.170 0.029 0.000 0.294 293 I C -1.929 174.239 176.117 0.084 0.000 0.987 293 I CA -2.270 59.068 61.300 0.064 0.000 1.225 293 I CB 1.763 39.787 38.000 0.039 0.000 1.366 293 I HN 0.423 nan 8.210 nan 0.000 0.466 294 P HA 0.272 nan 4.420 nan 0.000 0.285 294 P C -0.973 176.340 177.300 0.021 0.000 1.259 294 P CA -0.480 62.660 63.100 0.067 0.000 0.794 294 P CB 0.781 32.511 31.700 0.049 0.000 0.940 295 L N 3.002 124.228 121.223 0.004 0.000 2.410 295 L HA 0.194 4.551 4.340 0.029 0.000 0.273 295 L C 1.638 178.484 176.870 -0.041 0.000 1.144 295 L CA -0.474 54.321 54.840 -0.075 0.000 0.863 295 L CB -0.190 41.769 42.059 -0.166 0.000 1.140 295 L HN 0.443 nan 8.230 nan 0.000 0.463 296 T N -1.559 112.966 114.554 -0.047 0.000 2.640 296 T HA -0.041 4.326 4.350 0.029 0.000 0.316 296 T C 1.034 175.714 174.700 -0.032 0.000 1.036 296 T CA -0.177 61.904 62.100 -0.031 0.000 1.009 296 T CB 1.078 69.927 68.868 -0.032 0.000 1.017 296 T HN 0.786 nan 8.240 nan 0.000 0.530 297 E N 0.320 120.507 120.200 -0.022 0.000 2.051 297 E HA -0.221 4.146 4.350 0.029 0.000 0.192 297 E C 1.947 178.528 176.600 -0.031 0.000 0.991 297 E CA 1.413 57.801 56.400 -0.020 0.000 0.799 297 E CB -0.193 29.499 29.700 -0.014 0.000 0.748 297 E HN 0.749 nan 8.360 nan 0.000 0.449 298 E N 0.603 120.783 120.200 -0.034 0.000 2.097 298 E HA -0.223 4.144 4.350 0.029 0.000 0.196 298 E C 1.839 178.404 176.600 -0.057 0.000 1.000 298 E CA 1.596 57.972 56.400 -0.040 0.000 0.804 298 E CB -0.334 29.344 29.700 -0.038 0.000 0.740 298 E HN 0.435 nan 8.360 nan 0.000 0.454 299 A N 0.669 123.445 122.820 -0.073 0.000 1.855 299 A HA -0.219 4.118 4.320 0.029 0.000 0.215 299 A C 2.144 179.657 177.584 -0.117 0.000 1.191 299 A CA 1.693 53.663 52.037 -0.111 0.000 0.613 299 A CB -0.627 18.288 19.000 -0.143 0.000 0.829 299 A HN 0.175 nan 8.150 nan 0.000 0.442 300 E N -0.679 119.467 120.200 -0.091 0.000 2.219 300 E HA -0.188 4.179 4.350 0.029 0.000 0.198 300 E C 1.680 178.252 176.600 -0.048 0.000 0.998 300 E CA 1.097 57.459 56.400 -0.063 0.000 0.818 300 E CB -0.256 29.430 29.700 -0.024 0.000 0.741 300 E HN 0.494 nan 8.360 nan 0.000 0.477 301 L N 1.062 122.257 121.223 -0.047 0.000 1.982 301 L HA -0.105 4.253 4.340 0.029 0.000 0.206 301 L C 2.131 178.974 176.870 -0.045 0.000 1.078 301 L CA 2.446 57.264 54.840 -0.037 0.000 0.749 301 L CB -1.195 40.844 42.059 -0.032 0.000 0.894 301 L HN 0.299 nan 8.230 nan 0.000 0.436 302 E N -0.339 119.828 120.200 -0.055 0.000 2.085 302 E HA -0.306 4.061 4.350 0.029 0.000 0.194 302 E C 2.180 178.739 176.600 -0.068 0.000 0.994 302 E CA 1.752 58.117 56.400 -0.058 0.000 0.801 302 E CB -1.003 28.660 29.700 -0.062 0.000 0.743 302 E HN 0.393 nan 8.360 nan 0.000 0.453 303 L N 1.246 122.414 121.223 -0.091 0.000 2.129 303 L HA -0.165 4.192 4.340 0.029 0.000 0.212 303 L C 2.358 179.195 176.870 -0.055 0.000 1.087 303 L CA 2.166 56.945 54.840 -0.102 0.000 0.757 303 L CB -0.660 41.306 42.059 -0.156 0.000 0.896 303 L HN 0.291 nan 8.230 nan 0.000 0.434 304 A N -1.511 121.284 122.820 -0.040 0.000 1.930 304 A HA -0.101 4.236 4.320 0.029 0.000 0.215 304 A C 2.259 179.827 177.584 -0.026 0.000 1.176 304 A CA 1.113 53.138 52.037 -0.021 0.000 0.632 304 A CB -0.515 18.476 19.000 -0.014 0.000 0.819 304 A HN 0.457 nan 8.150 nan 0.000 0.445 305 E N 0.500 120.680 120.200 -0.032 0.000 2.204 305 E HA -0.141 4.226 4.350 0.029 0.000 0.194 305 E C 1.295 177.871 176.600 -0.040 0.000 0.989 305 E CA 0.778 57.159 56.400 -0.031 0.000 0.824 305 E CB -0.163 29.519 29.700 -0.031 0.000 0.756 305 E HN 0.530 nan 8.360 nan 0.000 0.477 306 N N 0.510 119.180 118.700 -0.050 0.000 2.250 306 N HA -0.059 4.699 4.740 0.029 0.000 0.181 306 N C 1.834 177.296 175.510 -0.080 0.000 1.017 306 N CA 0.596 53.605 53.050 -0.068 0.000 0.866 306 N CB -0.256 38.189 38.487 -0.069 0.000 0.985 306 N HN 0.128 nan 8.380 nan 0.000 0.429 307 R N 1.085 121.553 120.500 -0.053 0.000 2.105 307 R HA -0.055 4.302 4.340 0.029 0.000 0.239 307 R C 1.877 178.148 176.300 -0.048 0.000 1.135 307 R CA 1.143 57.217 56.100 -0.043 0.000 0.967 307 R CB -0.073 30.220 30.300 -0.012 0.000 0.861 307 R HN 0.438 nan 8.270 nan 0.000 0.442 308 E N 0.445 120.623 120.200 -0.037 0.000 2.047 308 E HA -0.154 4.214 4.350 0.029 0.000 0.191 308 E C 2.079 178.660 176.600 -0.031 0.000 0.987 308 E CA 1.025 57.410 56.400 -0.025 0.000 0.799 308 E CB -0.094 29.596 29.700 -0.016 0.000 0.752 308 E HN 0.308 nan 8.360 nan 0.000 0.449 309 I N 1.377 121.919 120.570 -0.047 0.000 2.163 309 I HA -0.283 3.905 4.170 0.029 0.000 0.243 309 I C 2.259 178.305 176.117 -0.118 0.000 1.085 309 I CA 1.092 62.368 61.300 -0.039 0.000 1.347 309 I CB -0.227 37.749 38.000 -0.040 0.000 1.044 309 I HN 0.136 nan 8.210 nan 0.000 0.408 310 L N 0.444 121.502 121.223 -0.275 0.000 2.549 310 L HA -0.134 4.223 4.340 0.029 0.000 0.229 310 L C 1.379 178.140 176.870 -0.182 0.000 1.158 310 L CA 0.954 55.496 54.840 -0.497 0.000 0.842 310 L CB -0.508 41.306 42.059 -0.408 0.000 0.952 310 L HN 0.219 nan 8.230 nan 0.000 0.452 311 K N 0.344 120.713 120.400 -0.051 0.000 2.684 311 K HA 0.111 4.448 4.320 0.029 0.000 0.215 311 K C 0.278 176.925 176.600 0.078 0.000 1.073 311 K CA -0.067 56.233 56.287 0.021 0.000 1.197 311 K CB 0.274 32.780 32.500 0.010 0.000 0.955 311 K HN 0.110 nan 8.250 nan 0.000 0.473 312 E N 2.291 122.585 120.200 0.158 0.000 2.183 312 E HA 0.235 4.602 4.350 0.029 0.000 0.271 312 E C -2.655 174.103 176.600 0.263 0.000 0.919 312 E CA -2.327 54.188 56.400 0.193 0.000 0.781 312 E CB 1.834 31.655 29.700 0.201 0.000 1.140 312 E HN -0.060 nan 8.360 nan 0.000 0.402 313 P HA 0.099 nan 4.420 nan 0.000 0.286 313 P C -0.285 177.103 177.300 0.148 0.000 1.321 313 P CA -0.387 62.823 63.100 0.184 0.000 0.790 313 P CB 0.668 32.461 31.700 0.156 0.000 0.897 314 V N 3.343 123.276 119.914 0.032 0.000 2.318 314 V HA 0.464 4.601 4.120 0.029 0.000 0.271 314 V C 0.161 176.194 176.094 -0.102 0.000 1.030 314 V CA -0.518 61.673 62.300 -0.181 0.000 0.844 314 V CB 0.312 31.872 31.823 -0.439 0.000 1.015 314 V HN 0.638 nan 8.190 nan 0.000 0.460 315 H N 3.452 122.391 119.070 -0.220 0.000 2.621 315 H HA 0.931 5.505 4.556 0.030 0.000 0.360 315 H C -0.035 174.738 175.328 -0.926 0.000 1.163 315 H CA -0.583 55.209 56.048 -0.426 0.000 1.194 315 H CB 2.282 31.877 29.762 -0.279 0.000 1.649 315 H HN 0.826 nan 8.280 nan 0.000 0.532 316 G N 0.099 107.809 108.800 -1.816 0.000 2.798 316 G HA2 0.499 4.476 3.960 0.029 0.000 0.286 316 G HA3 0.499 4.476 3.960 0.029 0.000 0.286 316 G C -1.184 172.862 174.900 -1.424 0.000 1.389 316 G CA -0.684 43.173 45.100 -2.072 0.000 0.894 316 G HN 0.528 nan 8.290 nan 0.000 0.488 317 V N -0.621 118.942 119.914 -0.586 0.000 3.096 317 V HA 0.567 4.704 4.120 0.029 0.000 0.319 317 V C -0.826 175.297 176.094 0.049 0.000 1.103 317 V CA -0.733 61.417 62.300 -0.250 0.000 1.016 317 V CB 1.629 33.430 31.823 -0.036 0.000 1.090 317 V HN 0.606 nan 8.190 nan 0.000 0.449 318 Y N -0.309 120.157 120.300 0.277 0.000 2.480 318 Y HA 0.412 4.980 4.550 0.030 0.000 0.323 318 Y C -0.094 175.990 175.900 0.307 0.000 1.267 318 Y CA -1.049 57.246 58.100 0.325 0.000 1.336 318 Y CB 0.649 39.250 38.460 0.236 0.000 1.361 318 Y HN 0.578 nan 8.280 nan 0.000 0.518 319 Y N 1.781 122.318 120.300 0.395 0.000 2.402 319 Y HA 0.129 4.696 4.550 0.028 0.000 0.333 319 Y C -0.319 175.672 175.900 0.151 0.000 1.076 319 Y CA -0.459 57.791 58.100 0.250 0.000 1.299 319 Y CB 0.424 39.096 38.460 0.354 0.000 1.197 319 Y HN 0.528 nan 8.280 nan 0.000 0.517 320 D N 8.841 129.034 120.400 -0.345 0.000 2.441 320 D HA 0.278 4.935 4.640 0.029 0.000 0.231 320 D C -2.163 173.665 176.300 -0.786 0.000 1.073 320 D CA -2.741 51.015 54.000 -0.406 0.000 0.850 320 D CB 1.880 42.581 40.800 -0.166 0.000 1.062 320 D HN 0.312 nan 8.370 nan 0.000 0.524 321 P HA -0.119 nan 4.420 nan 0.000 0.221 321 P C 0.923 178.057 177.300 -0.276 0.000 1.145 321 P CA 0.964 63.704 63.100 -0.598 0.000 0.795 321 P CB 0.207 31.734 31.700 -0.288 0.000 0.775 322 S N -2.758 112.811 115.700 -0.219 0.000 2.575 322 S HA 0.147 4.634 4.470 0.029 0.000 0.215 322 S C 0.608 175.144 174.600 -0.108 0.000 0.966 322 S CA -0.115 58.010 58.200 -0.124 0.000 0.911 322 S CB -0.445 62.700 63.200 -0.093 0.000 0.780 322 S HN 0.067 nan 8.310 nan 0.000 0.514 323 K N 1.207 121.526 120.400 -0.134 0.000 2.328 323 K HA 0.413 4.750 4.320 0.029 0.000 0.246 323 K C -1.070 175.476 176.600 -0.090 0.000 0.955 323 K CA -0.955 55.272 56.287 -0.099 0.000 0.817 323 K CB 0.843 33.288 32.500 -0.092 0.000 1.208 323 K HN 0.051 nan 8.250 nan 0.000 0.432 324 D N 1.238 121.579 120.400 -0.097 0.000 2.364 324 D HA 0.015 4.672 4.640 0.029 0.000 0.236 324 D C -0.369 175.823 176.300 -0.180 0.000 1.221 324 D CA 0.453 54.377 54.000 -0.125 0.000 0.891 324 D CB 0.688 41.404 40.800 -0.140 0.000 1.190 324 D HN 0.189 nan 8.370 nan 0.000 0.449 325 L N 2.412 123.489 121.223 -0.243 0.000 2.319 325 L HA 0.426 4.784 4.340 0.029 0.000 0.281 325 L C -0.483 176.102 176.870 -0.473 0.000 1.005 325 L CA -0.489 54.112 54.840 -0.399 0.000 0.828 325 L CB 0.800 42.591 42.059 -0.447 0.000 1.227 325 L HN 0.180 nan 8.230 nan 0.000 0.415 326 I N 3.340 123.541 120.570 -0.614 0.000 2.569 326 I HA 0.648 4.836 4.170 0.029 0.000 0.296 326 I C -0.266 175.475 176.117 -0.626 0.000 1.028 326 I CA -0.623 60.276 61.300 -0.668 0.000 1.082 326 I CB 2.213 39.688 38.000 -0.874 0.000 1.264 326 I HN 0.575 nan 8.210 nan 0.000 0.429 327 A N 4.826 127.363 122.820 -0.472 0.000 2.353 327 A HA 0.617 4.954 4.320 0.029 0.000 0.299 327 A C -0.960 176.624 177.584 -0.001 0.000 1.089 327 A CA -0.481 51.404 52.037 -0.253 0.000 0.736 327 A CB 1.474 20.179 19.000 -0.491 0.000 1.195 327 A HN 0.770 nan 8.150 nan 0.000 0.447 328 E N 2.593 122.904 120.200 0.185 0.000 2.212 328 E HA 0.707 5.074 4.350 0.029 0.000 0.268 328 E C -1.315 175.441 176.600 0.258 0.000 0.902 328 E CA -0.527 56.013 56.400 0.233 0.000 0.779 328 E CB 1.247 31.099 29.700 0.252 0.000 1.172 328 E HN 0.638 nan 8.360 nan 0.000 0.409 329 I N 2.673 123.389 120.570 0.243 0.000 2.646 329 I HA 0.320 4.507 4.170 0.029 0.000 0.299 329 I C -0.787 175.485 176.117 0.258 0.000 1.036 329 I CA -0.990 60.468 61.300 0.263 0.000 1.074 329 I CB 2.053 40.183 38.000 0.217 0.000 1.258 329 I HN 0.441 nan 8.210 nan 0.000 0.430 330 Q N 3.698 123.668 119.800 0.282 0.000 2.375 330 Q HA 0.390 4.747 4.340 0.029 0.000 0.271 330 Q C -0.808 175.344 176.000 0.252 0.000 1.074 330 Q CA -0.822 55.115 55.803 0.223 0.000 0.808 330 Q CB 2.566 31.375 28.738 0.119 0.000 1.327 330 Q HN 0.326 nan 8.270 nan 0.000 0.441 331 K N 2.092 122.544 120.400 0.085 0.000 2.257 331 K HA 0.119 4.457 4.320 0.029 0.000 0.270 331 K C -0.716 175.731 176.600 -0.256 0.000 1.098 331 K CA -0.147 55.937 56.287 -0.339 0.000 0.943 331 K CB 0.645 32.799 32.500 -0.577 0.000 1.316 331 K HN 0.670 nan 8.250 nan 0.000 0.447 332 Q N 3.926 123.595 119.800 -0.218 0.000 2.844 332 Q HA 0.184 4.541 4.340 0.029 0.000 0.235 332 Q C -0.159 175.726 176.000 -0.192 0.000 1.336 332 Q CA 0.216 55.933 55.803 -0.143 0.000 1.026 332 Q CB -0.022 28.669 28.738 -0.079 0.000 1.513 332 Q HN 0.926 nan 8.270 nan 0.000 0.577 333 G N 1.913 110.594 108.800 -0.198 0.000 2.756 333 G HA2 -0.287 3.690 3.960 0.029 0.000 0.678 333 G HA3 -0.287 3.690 3.960 0.029 0.000 0.678 333 G C -0.906 173.831 174.900 -0.271 0.000 1.349 333 G CA -0.430 44.563 45.100 -0.179 0.000 0.847 333 G HN 0.670 nan 8.290 nan 0.000 0.548 334 Q N 0.520 120.202 119.800 -0.198 0.000 2.289 334 Q HA 0.418 4.775 4.340 0.029 0.000 0.273 334 Q C 1.591 177.474 176.000 -0.195 0.000 1.029 334 Q CA 1.299 56.981 55.803 -0.201 0.000 0.896 334 Q CB -0.055 28.597 28.738 -0.144 0.000 1.182 334 Q HN 2.584 nan 8.270 nan 0.000 0.385 335 G N 3.183 111.856 108.800 -0.212 0.000 2.189 335 G HA2 -0.312 3.665 3.960 0.029 0.000 0.267 335 G HA3 -0.312 3.665 3.960 0.029 0.000 0.267 335 G C -0.128 174.714 174.900 -0.097 0.000 0.975 335 G CA 0.512 45.581 45.100 -0.052 0.000 0.644 335 G HN 0.622 nan 8.290 nan 0.000 0.537 336 Q N -1.124 118.448 119.800 -0.380 0.000 2.333 336 Q HA 0.603 4.960 4.340 0.029 0.000 0.267 336 Q C -1.053 174.677 176.000 -0.451 0.000 1.012 336 Q CA -0.758 54.911 55.803 -0.222 0.000 0.824 336 Q CB 1.343 30.001 28.738 -0.133 0.000 1.290 336 Q HN 0.370 nan 8.270 nan 0.000 0.449 337 W N 0.838 122.194 121.300 0.094 0.000 2.915 337 W HA 0.459 5.137 4.660 0.030 0.000 0.337 337 W C -0.373 176.184 176.519 0.064 0.000 1.102 337 W CA -0.663 56.741 57.345 0.098 0.000 1.224 337 W CB 1.790 31.345 29.460 0.159 0.000 1.416 337 W HN 0.449 nan 8.180 nan 0.000 0.503 338 T N -0.194 114.527 114.554 0.279 0.000 2.885 338 T HA 0.806 5.173 4.350 0.029 0.000 0.285 338 T C -1.229 173.584 174.700 0.188 0.000 1.019 338 T CA -0.697 61.464 62.100 0.102 0.000 1.010 338 T CB 1.679 70.556 68.868 0.015 0.000 1.022 338 T HN 0.510 nan 8.240 nan 0.000 0.466 339 Y N 0.055 120.362 120.300 0.013 0.000 2.571 339 Y HA 0.736 5.302 4.550 0.027 0.000 0.341 339 Y C -1.401 174.523 175.900 0.041 0.000 1.076 339 Y CA -1.274 56.856 58.100 0.050 0.000 1.029 339 Y CB 1.812 40.302 38.460 0.051 0.000 1.308 339 Y HN 0.830 nan 8.280 nan 0.000 0.461 340 Q N 3.783 123.712 119.800 0.215 0.000 2.268 340 Q HA 0.515 4.872 4.340 0.029 0.000 0.266 340 Q C -1.881 174.309 176.000 0.316 0.000 1.006 340 Q CA -0.665 55.239 55.803 0.168 0.000 0.824 340 Q CB 2.665 31.462 28.738 0.098 0.000 1.306 340 Q HN 0.946 nan 8.270 nan 0.000 0.424 341 I N 4.056 124.803 120.570 0.295 0.000 2.354 341 I HA 0.521 4.708 4.170 0.029 0.000 0.292 341 I C -0.733 175.473 176.117 0.150 0.000 0.989 341 I CA -0.969 60.413 61.300 0.135 0.000 1.188 341 I CB 0.687 38.752 38.000 0.107 0.000 1.342 341 I HN 0.720 nan 8.210 nan 0.000 0.457 342 Y N 3.407 123.671 120.300 -0.059 0.000 2.677 342 Y HA 0.523 5.089 4.550 0.028 0.000 0.334 342 Y C -0.087 175.752 175.900 -0.101 0.000 1.154 342 Y CA -0.845 57.228 58.100 -0.044 0.000 1.070 342 Y CB 1.163 39.617 38.460 -0.010 0.000 1.294 342 Y HN 0.427 nan 8.280 nan 0.000 0.475 343 Q N -0.204 119.595 119.800 -0.002 0.000 2.619 343 Q HA 0.119 4.476 4.340 0.029 0.000 0.230 343 Q C -0.570 175.461 176.000 0.052 0.000 0.871 343 Q CA 0.109 55.856 55.803 -0.094 0.000 0.934 343 Q CB 0.745 29.458 28.738 -0.042 0.000 1.183 343 Q HN 0.738 nan 8.270 nan 0.000 0.631 344 E N 2.145 122.426 120.200 0.136 0.000 2.166 344 E HA 0.379 4.746 4.350 0.029 0.000 0.275 344 E C -2.720 173.919 176.600 0.065 0.000 0.941 344 E CA -2.648 53.792 56.400 0.068 0.000 0.784 344 E CB 1.203 30.903 29.700 0.000 0.000 1.115 344 E HN -0.172 nan 8.360 nan 0.000 0.399 345 P HA -0.145 nan 4.420 nan 0.000 0.263 345 P C -0.130 176.833 177.300 -0.562 0.000 1.162 345 P CA 0.873 63.599 63.100 -0.624 0.000 0.758 345 P CB -0.146 31.004 31.700 -0.916 0.000 0.773 346 F N -0.972 118.755 119.950 -0.371 0.000 2.841 346 F HA -0.318 4.225 4.527 0.026 0.000 0.384 346 F C 0.775 176.472 175.800 -0.172 0.000 0.622 346 F CA 0.558 58.404 58.000 -0.257 0.000 1.044 346 F CB -1.295 37.601 39.000 -0.173 0.000 1.571 346 F HN 0.359 nan 8.300 nan 0.000 0.296 347 K N 2.063 122.477 120.400 0.023 0.000 2.290 347 K HA 0.220 4.558 4.320 0.029 0.000 0.250 347 K C -0.195 176.451 176.600 0.077 0.000 1.092 347 K CA -0.447 55.849 56.287 0.016 0.000 1.006 347 K CB 0.347 32.856 32.500 0.014 0.000 1.549 347 K HN 0.043 nan 8.250 nan 0.000 0.436 348 N N 2.371 121.108 118.700 0.062 0.000 2.530 348 N HA 0.078 4.836 4.740 0.029 0.000 0.273 348 N C 1.014 176.704 175.510 0.300 0.000 1.173 348 N CA -0.002 53.162 53.050 0.190 0.000 0.967 348 N CB 1.149 39.732 38.487 0.160 0.000 1.109 348 N HN 0.325 nan 8.380 nan 0.000 0.453 349 L N 0.800 122.248 121.223 0.374 0.000 2.168 349 L HA 0.142 4.499 4.340 0.029 0.000 0.203 349 L C 0.981 178.162 176.870 0.518 0.000 1.078 349 L CA 0.903 56.043 54.840 0.500 0.000 0.780 349 L CB 0.057 42.368 42.059 0.421 0.000 0.939 349 L HN 0.531 nan 8.230 nan 0.000 0.451 350 K N -0.921 119.721 120.400 0.403 0.000 2.575 350 K HA 0.406 4.743 4.320 0.029 0.000 0.279 350 K C -1.261 175.458 176.600 0.198 0.000 0.969 350 K CA -0.432 56.030 56.287 0.291 0.000 0.868 350 K CB 2.053 34.754 32.500 0.335 0.000 1.457 350 K HN -0.013 nan 8.250 nan 0.000 0.426 351 T N -1.428 113.144 114.554 0.030 0.000 2.778 351 T HA 0.927 5.294 4.350 0.029 0.000 0.293 351 T C -0.132 174.242 174.700 -0.543 0.000 1.144 351 T CA -0.426 61.533 62.100 -0.236 0.000 1.010 351 T CB 1.747 70.514 68.868 -0.168 0.000 1.325 351 T HN 0.949 nan 8.240 nan 0.000 0.515 352 G N 0.043 108.285 108.800 -0.930 0.000 2.328 352 G HA2 0.519 4.496 3.960 0.029 0.000 0.299 352 G HA3 0.519 4.496 3.960 0.029 0.000 0.299 352 G C -2.072 172.301 174.900 -0.879 0.000 1.435 352 G CA -0.556 44.022 45.100 -0.871 0.000 0.865 352 G HN 1.032 nan 8.290 nan 0.000 0.601 353 K N -1.069 119.040 120.400 -0.486 0.000 2.512 353 K HA 0.773 5.110 4.320 0.029 0.000 0.263 353 K C -1.916 174.547 176.600 -0.229 0.000 0.966 353 K CA -1.126 54.979 56.287 -0.303 0.000 0.851 353 K CB 2.114 34.535 32.500 -0.131 0.000 1.395 353 K HN 0.407 nan 8.250 nan 0.000 0.440 354 Y N 0.885 121.309 120.300 0.207 0.000 2.328 354 Y HA 0.464 5.031 4.550 0.028 0.000 0.337 354 Y C 0.330 176.322 175.900 0.154 0.000 0.966 354 Y CA -0.907 57.303 58.100 0.183 0.000 1.136 354 Y CB 1.782 40.368 38.460 0.209 0.000 1.170 354 Y HN 0.862 nan 8.280 nan 0.000 0.470 355 A N 3.133 126.113 122.820 0.266 0.000 2.555 355 A HA 0.113 4.451 4.320 0.029 0.000 0.233 355 A C 0.651 178.328 177.584 0.156 0.000 1.060 355 A CA -0.482 51.650 52.037 0.159 0.000 0.759 355 A CB -0.038 19.032 19.000 0.118 0.000 0.995 355 A HN 0.860 nan 8.150 nan 0.000 0.506 356 R N 2.966 123.523 120.500 0.095 0.000 2.586 356 R HA 0.016 4.373 4.340 0.029 0.000 0.346 356 R C 0.142 176.490 176.300 0.080 0.000 1.044 356 R CA 0.320 56.463 56.100 0.072 0.000 1.004 356 R CB -0.315 29.999 30.300 0.022 0.000 0.968 356 R HN 0.621 nan 8.270 nan 0.000 0.438 357 M N 5.682 125.347 119.600 0.108 0.000 2.685 357 M HA 0.045 4.543 4.480 0.029 0.000 0.316 357 M C -0.341 176.000 176.300 0.069 0.000 1.523 357 M CA 0.318 55.667 55.300 0.082 0.000 1.472 357 M CB 0.059 32.707 32.600 0.079 0.000 1.525 357 M HN 0.532 nan 8.290 nan 0.000 0.471 358 R N 2.995 123.527 120.500 0.054 0.000 3.152 358 R HA 0.112 4.470 4.340 0.029 0.000 0.209 358 R C 0.634 176.969 176.300 0.059 0.000 1.649 358 R CA 0.007 56.136 56.100 0.049 0.000 1.185 358 R CB -0.886 29.436 30.300 0.037 0.000 1.258 358 R HN 0.721 nan 8.270 nan 0.000 0.656 359 G N 0.075 108.917 108.800 0.070 0.000 2.563 359 G HA2 0.292 4.269 3.960 0.029 0.000 0.283 359 G HA3 0.292 4.269 3.960 0.029 0.000 0.283 359 G C 0.849 175.821 174.900 0.120 0.000 1.309 359 G CA 0.013 45.164 45.100 0.086 0.000 1.022 359 G HN 0.455 nan 8.290 nan 0.000 0.501 360 A N -1.135 121.787 122.820 0.170 0.000 2.016 360 A HA 0.295 4.632 4.320 0.029 0.000 0.217 360 A C 0.796 178.625 177.584 0.408 0.000 1.162 360 A CA 1.778 53.969 52.037 0.257 0.000 0.662 360 A CB -0.622 18.560 19.000 0.304 0.000 0.812 360 A HN 1.415 nan 8.150 nan 0.000 0.450 361 H N -3.714 115.416 119.070 0.101 0.000 3.952 361 H HA 0.418 4.991 4.556 0.029 0.000 0.494 361 H C -0.612 174.813 175.328 0.160 0.000 1.826 361 H CA -0.290 55.834 56.048 0.128 0.000 1.639 361 H CB -0.420 29.429 29.762 0.145 0.000 2.914 361 H HN 0.166 nan 8.280 nan 0.000 0.375 362 T N 1.101 115.724 114.554 0.114 0.000 2.590 362 T HA 0.620 4.987 4.350 0.029 0.000 0.282 362 T C -0.451 174.327 174.700 0.130 0.000 0.989 362 T CA -0.636 61.527 62.100 0.104 0.000 1.091 362 T CB 1.529 70.442 68.868 0.076 0.000 1.460 362 T HN 0.843 nan 8.240 nan 0.000 0.499 363 N N -1.459 117.295 118.700 0.090 0.000 2.525 363 N HA 0.392 5.149 4.740 0.029 0.000 0.270 363 N C -0.306 175.209 175.510 0.009 0.000 1.321 363 N CA -0.755 52.332 53.050 0.062 0.000 0.797 363 N CB 0.932 39.446 38.487 0.043 0.000 1.529 363 N HN 0.391 nan 8.380 nan 0.000 0.491 364 D N 0.019 120.463 120.400 0.073 0.000 2.149 364 D HA -0.107 4.551 4.640 0.029 0.000 0.198 364 D C 1.666 177.939 176.300 -0.046 0.000 0.990 364 D CA 1.256 55.351 54.000 0.160 0.000 0.839 364 D CB -0.113 40.844 40.800 0.261 0.000 0.948 364 D HN 0.373 nan 8.370 nan 0.000 0.460 365 V N 1.141 120.819 119.914 -0.394 0.000 2.295 365 V HA -0.256 3.881 4.120 0.029 0.000 0.246 365 V C 2.423 178.025 176.094 -0.820 0.000 1.049 365 V CA 1.595 63.442 62.300 -0.755 0.000 1.024 365 V CB -0.510 30.433 31.823 -1.466 0.000 0.648 365 V HN 0.069 nan 8.190 nan 0.000 0.447 366 K N 0.548 120.463 120.400 -0.808 0.000 2.009 366 K HA -0.217 4.120 4.320 0.029 0.000 0.210 366 K C 2.232 178.665 176.600 -0.278 0.000 1.049 366 K CA 1.818 57.863 56.287 -0.404 0.000 0.929 366 K CB -0.605 31.822 32.500 -0.122 0.000 0.714 366 K HN 0.504 nan 8.250 nan 0.000 0.440 367 Q N -0.020 119.676 119.800 -0.173 0.000 2.096 367 Q HA -0.177 4.181 4.340 0.029 0.000 0.204 367 Q C 2.144 177.822 176.000 -0.537 0.000 0.982 367 Q CA 1.646 57.378 55.803 -0.119 0.000 0.850 367 Q CB -0.252 28.654 28.738 0.280 0.000 0.901 367 Q HN 0.408 nan 8.270 nan 0.000 0.422 368 L N 0.281 121.087 121.223 -0.694 0.000 2.012 368 L HA -0.227 4.130 4.340 0.029 0.000 0.210 368 L C 2.231 178.588 176.870 -0.855 0.000 1.073 368 L CA 1.524 55.664 54.840 -1.166 0.000 0.748 368 L CB -0.548 41.039 42.059 -0.786 0.000 0.891 368 L HN 0.278 nan 8.230 nan 0.000 0.431 369 T N -0.098 114.076 114.554 -0.632 0.000 2.597 369 T HA -0.292 4.075 4.350 0.029 0.000 0.267 369 T C 1.615 176.038 174.700 -0.462 0.000 1.053 369 T CA 2.151 63.944 62.100 -0.511 0.000 1.165 369 T CB -0.227 68.486 68.868 -0.258 0.000 0.863 369 T HN 0.452 nan 8.240 nan 0.000 0.427 370 E N 0.564 120.531 120.200 -0.388 0.000 2.058 370 E HA -0.118 4.249 4.350 0.029 0.000 0.194 370 E C 2.523 178.859 176.600 -0.441 0.000 0.997 370 E CA 1.056 57.251 56.400 -0.342 0.000 0.801 370 E CB -0.262 29.282 29.700 -0.259 0.000 0.746 370 E HN 0.489 nan 8.360 nan 0.000 0.450 371 A N 0.806 123.290 122.820 -0.559 0.000 1.908 371 A HA -0.179 4.159 4.320 0.029 0.000 0.218 371 A C 2.493 179.842 177.584 -0.392 0.000 1.181 371 A CA 1.337 53.085 52.037 -0.482 0.000 0.627 371 A CB -0.716 17.945 19.000 -0.565 0.000 0.818 371 A HN 0.137 nan 8.150 nan 0.000 0.445 372 V N 0.698 120.286 119.914 -0.543 0.000 2.332 372 V HA -0.332 3.805 4.120 0.029 0.000 0.248 372 V C 2.861 178.695 176.094 -0.433 0.000 1.055 372 V CA 2.506 64.412 62.300 -0.657 0.000 1.038 372 V CB -0.887 30.341 31.823 -0.992 0.000 0.651 372 V HN 0.911 nan 8.190 nan 0.000 0.450 373 Q N 0.749 120.331 119.800 -0.364 0.000 2.079 373 Q HA -0.175 4.182 4.340 0.029 0.000 0.200 373 Q C 2.021 177.914 176.000 -0.177 0.000 0.974 373 Q CA 1.848 57.515 55.803 -0.227 0.000 0.840 373 Q CB -0.503 28.121 28.738 -0.190 0.000 0.898 373 Q HN 0.502 nan 8.270 nan 0.000 0.430 374 K N 0.362 120.612 120.400 -0.250 0.000 2.009 374 K HA -0.102 4.236 4.320 0.029 0.000 0.210 374 K C 2.174 178.705 176.600 -0.116 0.000 1.049 374 K CA 1.804 57.947 56.287 -0.240 0.000 0.929 374 K CB -0.335 31.848 32.500 -0.528 0.000 0.714 374 K HN 0.293 nan 8.250 nan 0.000 0.440 375 I N 0.894 121.403 120.570 -0.102 0.000 2.099 375 I HA -0.330 3.857 4.170 0.029 0.000 0.239 375 I C 2.333 178.467 176.117 0.029 0.000 1.066 375 I CA 1.502 62.754 61.300 -0.080 0.000 1.324 375 I CB -0.764 37.202 38.000 -0.057 0.000 1.037 375 I HN 0.234 nan 8.210 nan 0.000 0.401 376 T N 0.267 114.880 114.554 0.097 0.000 2.620 376 T HA -0.257 4.110 4.350 0.029 0.000 0.267 376 T C 1.880 176.608 174.700 0.047 0.000 1.044 376 T CA 2.434 64.604 62.100 0.116 0.000 1.161 376 T CB -0.542 68.373 68.868 0.078 0.000 0.862 376 T HN 0.404 nan 8.240 nan 0.000 0.438 377 T N 1.611 116.165 114.554 0.000 0.000 2.652 377 T HA -0.127 4.240 4.350 0.029 0.000 0.267 377 T C 1.914 176.594 174.700 -0.033 0.000 1.039 377 T CA 1.487 63.577 62.100 -0.016 0.000 1.153 377 T CB -0.380 68.465 68.868 -0.037 0.000 0.863 377 T HN 0.513 nan 8.240 nan 0.000 0.428 378 E N 0.680 120.852 120.200 -0.046 0.000 2.035 378 E HA -0.174 4.193 4.350 0.029 0.000 0.204 378 E C 2.612 179.130 176.600 -0.136 0.000 1.025 378 E CA 1.698 58.041 56.400 -0.094 0.000 0.835 378 E CB -0.188 29.468 29.700 -0.073 0.000 0.764 378 E HN 0.380 nan 8.360 nan 0.000 0.457 379 S N 0.816 116.514 115.700 -0.003 0.000 2.359 379 S HA -0.203 4.284 4.470 0.029 0.000 0.223 379 S C 1.990 176.638 174.600 0.080 0.000 1.039 379 S CA 1.138 59.444 58.200 0.176 0.000 1.042 379 S CB -0.315 63.099 63.200 0.358 0.000 0.915 379 S HN 0.219 nan 8.310 nan 0.000 0.439 380 I N 1.514 122.116 120.570 0.053 0.000 2.236 380 I HA -0.164 4.023 4.170 0.029 0.000 0.249 380 I C 2.243 178.343 176.117 -0.029 0.000 1.102 380 I CA 1.158 62.478 61.300 0.033 0.000 1.365 380 I CB -1.643 36.373 38.000 0.026 0.000 1.051 380 I HN 0.173 nan 8.210 nan 0.000 0.420 381 V N 1.023 120.880 119.914 -0.096 0.000 2.239 381 V HA -0.203 3.934 4.120 0.029 0.000 0.242 381 V C 2.522 178.463 176.094 -0.254 0.000 1.038 381 V CA 1.267 63.481 62.300 -0.143 0.000 1.002 381 V CB -0.431 31.302 31.823 -0.150 0.000 0.641 381 V HN 0.156 nan 8.190 nan 0.000 0.449 382 I N -0.851 119.429 120.570 -0.483 0.000 2.208 382 I HA -0.231 3.956 4.170 0.029 0.000 0.245 382 I C 2.013 177.622 176.117 -0.846 0.000 1.097 382 I CA 1.987 62.775 61.300 -0.853 0.000 1.363 382 I CB -1.044 35.958 38.000 -1.663 0.000 1.051 382 I HN 0.489 nan 8.210 nan 0.000 0.413 383 W N 0.223 121.401 121.300 -0.203 0.000 2.714 383 W HA 0.432 5.109 4.660 0.029 0.000 0.353 383 W C 1.416 177.854 176.519 -0.135 0.000 0.999 383 W CA 0.308 57.480 57.345 -0.290 0.000 1.629 383 W CB -0.566 28.545 29.460 -0.582 0.000 1.106 383 W HN 0.368 nan 8.180 nan 0.000 0.545 384 G N 2.425 111.272 108.800 0.079 0.000 2.296 384 G HA2 -0.334 3.643 3.960 0.029 0.000 0.282 384 G HA3 -0.334 3.643 3.960 0.029 0.000 0.282 384 G C 0.165 175.126 174.900 0.101 0.000 1.014 384 G CA 1.020 46.166 45.100 0.076 0.000 0.812 384 G HN 0.287 nan 8.290 nan 0.000 0.508 385 K N -1.354 119.121 120.400 0.125 0.000 2.533 385 K HA 0.648 4.986 4.320 0.029 0.000 0.272 385 K C -0.403 176.244 176.600 0.080 0.000 0.985 385 K CA -0.305 56.035 56.287 0.088 0.000 0.876 385 K CB 1.864 34.404 32.500 0.067 0.000 1.452 385 K HN 0.237 nan 8.250 nan 0.000 0.439 386 T N 0.232 114.806 114.554 0.033 0.000 2.855 386 T HA 0.573 4.940 4.350 0.029 0.000 0.281 386 T C -2.633 171.988 174.700 -0.132 0.000 1.007 386 T CA -1.968 60.135 62.100 0.004 0.000 1.009 386 T CB 1.363 70.272 68.868 0.068 0.000 0.983 386 T HN 0.122 nan 8.240 nan 0.000 0.455 387 P HA 0.306 nan 4.420 nan 0.000 0.272 387 P C -0.814 176.176 177.300 -0.517 0.000 1.240 387 P CA -0.568 62.210 63.100 -0.536 0.000 0.791 387 P CB 0.398 31.609 31.700 -0.814 0.000 0.978 388 K N 1.331 121.489 120.400 -0.404 0.000 2.205 388 K HA 0.402 4.740 4.320 0.029 0.000 0.279 388 K C -0.516 175.910 176.600 -0.290 0.000 1.027 388 K CA -0.211 55.949 56.287 -0.212 0.000 0.932 388 K CB 0.410 32.818 32.500 -0.154 0.000 1.032 388 K HN 0.296 nan 8.250 nan 0.000 0.466 389 F N 1.493 121.416 119.950 -0.045 0.000 2.425 389 F HA 0.317 4.859 4.527 0.026 0.000 0.331 389 F C 0.506 176.352 175.800 0.076 0.000 1.085 389 F CA -0.626 57.367 58.000 -0.012 0.000 1.028 389 F CB 1.422 40.391 39.000 -0.051 0.000 1.177 389 F HN 0.182 nan 8.300 nan 0.000 0.487 390 K N 4.204 124.775 120.400 0.285 0.000 2.521 390 K HA 0.522 4.859 4.320 0.029 0.000 0.248 390 K C -1.413 175.349 176.600 0.270 0.000 0.978 390 K CA -0.306 56.126 56.287 0.242 0.000 0.947 390 K CB 1.134 33.729 32.500 0.158 0.000 1.165 390 K HN 0.481 nan 8.250 nan 0.000 0.445 391 L N 4.322 125.753 121.223 0.347 0.000 2.346 391 L HA 0.441 4.798 4.340 0.029 0.000 0.276 391 L C -1.929 175.160 176.870 0.366 0.000 1.006 391 L CA -2.235 52.738 54.840 0.222 0.000 0.817 391 L CB 1.871 43.857 42.059 -0.121 0.000 1.272 391 L HN 0.369 nan 8.230 nan 0.000 0.421 392 P HA 0.123 nan 4.420 nan 0.000 0.238 392 P C -0.533 176.943 177.300 0.293 0.000 1.714 392 P CA 0.548 63.866 63.100 0.365 0.000 0.908 392 P CB 0.116 31.967 31.700 0.252 0.000 1.893 393 I N -0.781 119.953 120.570 0.273 0.000 2.644 393 I HA 0.206 4.394 4.170 0.029 0.000 0.291 393 I C -0.520 175.514 176.117 -0.138 0.000 1.180 393 I CA -0.931 60.372 61.300 0.005 0.000 1.040 393 I CB 2.580 40.527 38.000 -0.087 0.000 1.255 393 I HN -0.152 nan 8.210 nan 0.000 0.422 394 Q N 5.850 125.377 119.800 -0.456 0.000 2.361 394 Q HA 0.099 4.456 4.340 0.029 0.000 0.276 394 Q C 0.563 176.594 176.000 0.051 0.000 1.022 394 Q CA -0.127 55.341 55.803 -0.558 0.000 0.898 394 Q CB 1.067 29.561 28.738 -0.406 0.000 1.246 394 Q HN 0.523 nan 8.270 nan 0.000 0.410 395 K N 1.994 122.459 120.400 0.108 0.000 2.280 395 K HA -0.172 4.165 4.320 0.029 0.000 0.202 395 K C 1.308 178.104 176.600 0.326 0.000 1.047 395 K CA 1.136 57.616 56.287 0.322 0.000 0.942 395 K CB 0.271 32.794 32.500 0.039 0.000 0.739 395 K HN 0.495 nan 8.250 nan 0.000 0.457 396 E N -0.172 120.119 120.200 0.151 0.000 2.158 396 E HA -0.050 4.317 4.350 0.029 0.000 0.191 396 E C 1.727 178.405 176.600 0.129 0.000 0.982 396 E CA 1.087 57.555 56.400 0.114 0.000 0.823 396 E CB -0.073 29.650 29.700 0.038 0.000 0.766 396 E HN 0.203 nan 8.360 nan 0.000 0.468 397 T N 0.327 114.958 114.554 0.130 0.000 2.674 397 T HA -0.179 4.188 4.350 0.029 0.000 0.265 397 T C 1.471 176.325 174.700 0.256 0.000 1.039 397 T CA 1.200 63.373 62.100 0.121 0.000 1.150 397 T CB -0.682 68.218 68.868 0.053 0.000 0.864 397 T HN 0.417 nan 8.240 nan 0.000 0.427 398 W N 2.117 123.524 121.300 0.178 0.000 2.298 398 W HA -0.313 4.363 4.660 0.026 0.000 0.328 398 W C 2.312 179.107 176.519 0.461 0.000 1.259 398 W CA 2.023 59.552 57.345 0.307 0.000 1.251 398 W CB -0.392 29.316 29.460 0.414 0.000 1.161 398 W HN 0.275 nan 8.180 nan 0.000 0.466 399 E N -0.019 120.345 120.200 0.274 0.000 2.086 399 E HA -0.252 4.115 4.350 0.029 0.000 0.200 399 E C 2.081 178.550 176.600 -0.218 0.000 1.012 399 E CA 3.328 59.727 56.400 -0.002 0.000 0.812 399 E CB -0.684 29.065 29.700 0.081 0.000 0.743 399 E HN 0.176 nan 8.360 nan 0.000 0.453 400 T N -0.464 114.056 114.554 -0.057 0.000 2.708 400 T HA -0.171 4.196 4.350 0.029 0.000 0.266 400 T C 1.150 175.807 174.700 -0.073 0.000 1.037 400 T CA 1.347 63.402 62.100 -0.075 0.000 1.146 400 T CB -0.632 68.238 68.868 0.003 0.000 0.865 400 T HN 0.417 nan 8.240 nan 0.000 0.435 401 W N 1.179 122.374 121.300 -0.174 0.000 2.282 401 W HA -0.160 4.521 4.660 0.034 0.000 0.325 401 W C 2.246 178.626 176.519 -0.231 0.000 1.211 401 W CA 1.359 58.600 57.345 -0.174 0.000 1.209 401 W CB -1.065 28.305 29.460 -0.149 0.000 1.185 401 W HN 0.387 nan 8.180 nan 0.000 0.454 402 W N 1.410 122.366 121.300 -0.573 0.000 2.290 402 W HA -0.342 4.334 4.660 0.026 0.000 0.323 402 W C 2.225 178.391 176.519 -0.589 0.000 1.260 402 W CA 3.391 60.198 57.345 -0.897 0.000 1.266 402 W CB -1.623 27.084 29.460 -1.255 0.000 1.149 402 W HN -0.025 nan 8.180 nan 0.000 0.482 403 T N -0.142 113.683 114.554 -1.215 0.000 3.052 403 T HA -0.180 4.187 4.350 0.029 0.000 0.270 403 T C 1.035 175.404 174.700 -0.551 0.000 1.147 403 T CA 1.908 63.322 62.100 -1.142 0.000 1.089 403 T CB -0.324 67.907 68.868 -1.063 0.000 0.875 403 T HN 0.256 nan 8.240 nan 0.000 0.541 404 E N -1.096 118.840 120.200 -0.440 0.000 2.641 404 E HA 0.274 4.641 4.350 0.029 0.000 0.224 404 E C -0.711 175.758 176.600 -0.218 0.000 0.951 404 E CA -0.349 55.889 56.400 -0.270 0.000 1.102 404 E CB 0.274 29.858 29.700 -0.194 0.000 1.091 404 E HN 0.447 nan 8.360 nan 0.000 0.507 405 Y N 1.255 121.220 120.300 -0.559 0.000 2.411 405 Y HA -0.033 4.536 4.550 0.032 0.000 0.333 405 Y C 1.226 176.914 175.900 -0.354 0.000 1.186 405 Y CA -0.354 57.398 58.100 -0.580 0.000 1.381 405 Y CB 0.445 38.227 38.460 -1.131 0.000 1.273 405 Y HN 0.215 nan 8.280 nan 0.000 0.546 406 W N 4.131 125.066 121.300 -0.608 0.000 2.538 406 W HA -0.068 4.609 4.660 0.029 0.000 0.254 406 W C -0.526 175.798 176.519 -0.325 0.000 1.249 406 W CA 0.408 57.498 57.345 -0.424 0.000 1.253 406 W CB -0.270 28.929 29.460 -0.434 0.000 1.130 406 W HN 0.552 nan 8.180 nan 0.000 0.618 407 Q N 1.075 120.101 119.800 -1.291 0.000 2.342 407 Q HA 0.536 4.893 4.340 0.029 0.000 0.267 407 Q C -0.359 175.407 176.000 -0.389 0.000 1.038 407 Q CA -0.593 54.578 55.803 -1.054 0.000 0.832 407 Q CB 2.272 29.968 28.738 -1.737 0.000 1.323 407 Q HN 0.016 nan 8.270 nan 0.000 0.448 408 A N 2.474 125.153 122.820 -0.234 0.000 2.546 408 A HA 0.345 4.682 4.320 0.029 0.000 0.243 408 A C -0.075 177.492 177.584 -0.028 0.000 1.063 408 A CA 0.682 52.670 52.037 -0.083 0.000 0.757 408 A CB 0.403 19.367 19.000 -0.059 0.000 0.991 408 A HN 0.661 nan 8.150 nan 0.000 0.503 409 T N 1.291 115.878 114.554 0.054 0.000 2.821 409 T HA 0.589 4.956 4.350 0.029 0.000 0.306 409 T C -1.859 172.986 174.700 0.242 0.000 1.313 409 T CA -0.273 61.917 62.100 0.151 0.000 1.012 409 T CB 0.825 69.838 68.868 0.241 0.000 1.298 409 T HN 1.157 nan 8.240 nan 0.000 0.502 410 W N 2.625 123.931 121.300 0.011 0.000 2.989 410 W HA 0.741 5.420 4.660 0.032 0.000 0.344 410 W C -2.523 173.872 176.519 -0.208 0.000 1.233 410 W CA -0.964 56.341 57.345 -0.066 0.000 1.187 410 W CB 0.914 30.303 29.460 -0.119 0.000 1.443 410 W HN 0.662 nan 8.180 nan 0.000 0.573 411 I N 4.551 124.437 120.570 -1.140 0.000 2.571 411 I HA 0.226 4.413 4.170 0.029 0.000 0.286 411 I C -2.089 173.024 176.117 -1.673 0.000 1.134 411 I CA -1.896 58.594 61.300 -1.350 0.000 1.052 411 I CB 2.005 39.068 38.000 -1.562 0.000 1.237 411 I HN 0.052 nan 8.210 nan 0.000 0.435 412 P HA -0.068 nan 4.420 nan 0.000 0.276 412 P C -0.198 176.885 177.300 -0.360 0.000 1.264 412 P CA -0.295 62.140 63.100 -1.107 0.000 0.815 412 P CB 0.411 31.849 31.700 -0.437 0.000 1.121 413 E N 1.027 121.182 120.200 -0.076 0.000 2.694 413 E HA -0.067 4.300 4.350 0.029 0.000 0.250 413 E C -0.815 175.876 176.600 0.152 0.000 0.963 413 E CA 0.327 56.748 56.400 0.034 0.000 0.949 413 E CB -0.011 29.709 29.700 0.033 0.000 0.911 413 E HN 0.352 nan 8.360 nan 0.000 0.500 414 W N 3.731 124.966 121.300 -0.108 0.000 3.047 414 W HA 0.641 5.315 4.660 0.022 0.000 0.341 414 W C -1.318 175.182 176.519 -0.031 0.000 1.225 414 W CA -1.072 56.237 57.345 -0.061 0.000 1.150 414 W CB 0.647 29.989 29.460 -0.197 0.000 1.470 414 W HN 0.511 nan 8.180 nan 0.000 0.578 415 E N 1.165 121.414 120.200 0.081 0.000 2.356 415 E HA 0.413 4.780 4.350 0.029 0.000 0.275 415 E C -1.938 174.780 176.600 0.196 0.000 0.904 415 E CA -0.769 55.562 56.400 -0.115 0.000 0.757 415 E CB 2.890 32.562 29.700 -0.046 0.000 1.232 415 E HN 0.259 nan 8.360 nan 0.000 0.442 416 F N 3.855 123.771 119.950 -0.056 0.000 2.399 416 F HA 0.490 5.023 4.527 0.009 0.000 0.342 416 F C -1.112 174.752 175.800 0.107 0.000 1.106 416 F CA -0.454 57.635 58.000 0.149 0.000 1.196 416 F CB 1.245 40.306 39.000 0.102 0.000 1.163 416 F HN 0.146 nan 8.300 nan 0.000 0.547 417 V N 6.944 126.613 119.914 -0.409 0.000 2.623 417 V HA 0.305 4.443 4.120 0.029 0.000 0.304 417 V C -1.053 174.569 176.094 -0.786 0.000 1.054 417 V CA -0.833 61.135 62.300 -0.554 0.000 0.882 417 V CB 1.588 33.339 31.823 -0.119 0.000 1.002 417 V HN 0.836 nan 8.190 nan 0.000 0.424 418 N N 4.204 122.376 118.700 -0.879 0.000 2.807 418 N HA 0.244 5.001 4.740 0.029 0.000 0.259 418 N C -0.534 174.934 175.510 -0.070 0.000 1.149 418 N CA 0.068 52.905 53.050 -0.354 0.000 1.042 418 N CB 0.469 38.837 38.487 -0.198 0.000 1.367 418 N HN 0.691 nan 8.380 nan 0.000 0.516 419 T N 4.264 118.833 114.554 0.024 0.000 3.155 419 T HA 0.324 4.691 4.350 0.029 0.000 0.384 419 T C -2.467 172.280 174.700 0.079 0.000 1.351 419 T CA -1.084 61.041 62.100 0.041 0.000 1.198 419 T CB 1.216 70.108 68.868 0.039 0.000 1.106 419 T HN 0.313 nan 8.240 nan 0.000 0.564 420 P HA 0.091 nan 4.420 nan 0.000 0.267 420 P C -2.194 175.137 177.300 0.051 0.000 1.195 420 P CA -0.826 62.316 63.100 0.071 0.000 0.773 420 P CB -0.071 31.663 31.700 0.056 0.000 0.837 421 P HA 0.178 nan 4.420 nan 0.000 0.278 421 P C -0.626 176.718 177.300 0.074 0.000 1.238 421 P CA 0.014 63.144 63.100 0.051 0.000 0.794 421 P CB 0.782 32.506 31.700 0.040 0.000 0.955 422 L N 1.676 122.944 121.223 0.076 0.000 2.439 422 L HA 0.373 4.730 4.340 0.029 0.000 0.259 422 L C 0.857 177.751 176.870 0.039 0.000 1.129 422 L CA -1.187 53.713 54.840 0.100 0.000 0.803 422 L CB 1.262 43.384 42.059 0.106 0.000 1.161 422 L HN 0.249 nan 8.230 nan 0.000 0.462 423 V N 0.337 120.283 119.914 0.054 0.000 2.509 423 V HA 0.596 4.734 4.120 0.029 0.000 0.284 423 V C -0.383 175.655 176.094 -0.093 0.000 1.047 423 V CA -0.470 61.847 62.300 0.028 0.000 0.952 423 V CB 1.161 33.064 31.823 0.134 0.000 0.988 423 V HN 0.939 nan 8.190 nan 0.000 0.469 424 K N 4.416 124.684 120.400 -0.219 0.000 2.469 424 K HA 0.726 5.063 4.320 0.029 0.000 0.268 424 K C -1.406 174.939 176.600 -0.424 0.000 1.027 424 K CA -1.162 54.932 56.287 -0.321 0.000 0.893 424 K CB 1.980 34.232 32.500 -0.414 0.000 1.460 424 K HN 0.615 nan 8.250 nan 0.000 0.449 425 L N 1.649 122.677 121.223 -0.326 0.000 2.305 425 L HA 0.261 4.618 4.340 0.029 0.000 0.281 425 L C 0.015 176.680 176.870 -0.342 0.000 1.085 425 L CA -0.622 54.073 54.840 -0.240 0.000 0.813 425 L CB 0.384 42.377 42.059 -0.110 0.000 1.157 425 L HN 0.701 nan 8.230 nan 0.000 0.436 426 W N 2.887 124.143 121.300 -0.075 0.000 2.905 426 W HA 0.051 4.728 4.660 0.028 0.000 0.251 426 W C 0.143 176.762 176.519 0.167 0.000 1.305 426 W CA -0.042 57.333 57.345 0.049 0.000 1.465 426 W CB -0.185 29.348 29.460 0.122 0.000 1.122 426 W HN 0.523 nan 8.180 nan 0.000 0.659 427 Y N -3.254 117.167 120.300 0.201 0.000 2.851 427 Y HA 0.489 5.055 4.550 0.028 0.000 0.359 427 Y C -1.383 174.598 175.900 0.135 0.000 1.231 427 Y CA -2.128 56.061 58.100 0.149 0.000 1.106 427 Y CB 0.369 38.925 38.460 0.161 0.000 1.409 427 Y HN -0.151 nan 8.280 nan 0.000 0.454 428 Q N 2.280 122.279 119.800 0.331 0.000 2.334 428 Q HA 0.480 4.837 4.340 0.029 0.000 0.249 428 Q C -1.521 174.656 176.000 0.296 0.000 0.909 428 Q CA -0.730 55.207 55.803 0.224 0.000 0.823 428 Q CB 2.753 31.561 28.738 0.116 0.000 1.353 428 Q HN 0.668 nan 8.270 nan 0.000 0.433 429 L N 2.183 123.602 121.223 0.327 0.000 2.485 429 L HA 0.078 4.435 4.340 0.029 0.000 0.275 429 L C 0.824 177.818 176.870 0.207 0.000 1.207 429 L CA -0.087 54.899 54.840 0.243 0.000 0.855 429 L CB 0.188 42.365 42.059 0.198 0.000 1.114 429 L HN 0.454 nan 8.230 nan 0.000 0.485 430 E N 2.009 122.350 120.200 0.235 0.000 2.418 430 E HA -0.065 4.303 4.350 0.029 0.000 0.261 430 E C 0.455 177.239 176.600 0.307 0.000 1.070 430 E CA 0.078 56.627 56.400 0.249 0.000 0.931 430 E CB 0.696 30.551 29.700 0.259 0.000 0.954 430 E HN 0.330 nan 8.360 nan 0.000 0.439 431 K N 0.645 121.156 120.400 0.186 0.000 2.186 431 K HA 0.014 4.351 4.320 0.029 0.000 0.202 431 K C 0.115 176.810 176.600 0.158 0.000 1.052 431 K CA 0.951 57.335 56.287 0.163 0.000 0.965 431 K CB 0.487 33.032 32.500 0.074 0.000 0.746 431 K HN 0.278 nan 8.250 nan 0.000 0.457 432 E N -0.318 119.861 120.200 -0.035 0.000 2.343 432 E HA 0.323 4.691 4.350 0.029 0.000 0.270 432 E C -2.696 173.394 176.600 -0.850 0.000 0.895 432 E CA -2.675 53.510 56.400 -0.359 0.000 0.767 432 E CB 1.441 31.029 29.700 -0.187 0.000 1.248 432 E HN -0.222 nan 8.360 nan 0.000 0.440 433 P HA -0.009 nan 4.420 nan 0.000 0.266 433 P C -0.292 176.779 177.300 -0.381 0.000 1.180 433 P CA 0.547 63.031 63.100 -1.027 0.000 0.765 433 P CB 0.328 31.721 31.700 -0.513 0.000 0.806 434 I N 2.229 122.703 120.570 -0.161 0.000 2.312 434 I HA 0.094 4.281 4.170 0.029 0.000 0.291 434 I C 0.236 176.334 176.117 -0.032 0.000 1.031 434 I CA -0.732 60.534 61.300 -0.058 0.000 1.293 434 I CB 0.785 38.792 38.000 0.013 0.000 1.403 434 I HN 0.020 nan 8.210 nan 0.000 0.484 435 V N 6.762 126.656 119.914 -0.034 0.000 2.655 435 V HA 0.298 4.435 4.120 0.029 0.000 0.300 435 V C 1.238 177.336 176.094 0.005 0.000 1.044 435 V CA 1.346 63.638 62.300 -0.014 0.000 1.095 435 V CB 0.482 32.295 31.823 -0.017 0.000 0.952 435 V HN 1.161 nan 8.190 nan 0.000 0.485 436 G N 3.854 112.663 108.800 0.016 0.000 3.079 436 G HA2 -0.172 3.805 3.960 0.029 0.000 0.214 436 G HA3 -0.172 3.805 3.960 0.029 0.000 0.214 436 G C 0.671 175.595 174.900 0.040 0.000 1.335 436 G CA 0.131 45.245 45.100 0.025 0.000 0.822 436 G HN 1.691 nan 8.290 nan 0.000 0.545 437 A N 1.263 124.110 122.820 0.045 0.000 2.587 437 A HA 0.438 4.775 4.320 0.029 0.000 0.233 437 A C 0.575 178.218 177.584 0.099 0.000 1.049 437 A CA 1.335 53.413 52.037 0.068 0.000 0.754 437 A CB 0.019 19.057 19.000 0.063 0.000 0.977 437 A HN 0.949 nan 8.150 nan 0.000 0.509 438 E N 0.828 121.113 120.200 0.141 0.000 2.413 438 E HA 0.200 4.567 4.350 0.029 0.000 0.263 438 E C -0.484 176.279 176.600 0.272 0.000 1.015 438 E CA 0.204 56.717 56.400 0.187 0.000 0.916 438 E CB 0.429 30.278 29.700 0.248 0.000 0.947 438 E HN 0.592 nan 8.360 nan 0.000 0.440 439 T N 4.540 119.224 114.554 0.217 0.000 2.771 439 T HA 0.361 4.728 4.350 0.029 0.000 0.281 439 T C -1.049 173.825 174.700 0.291 0.000 0.982 439 T CA -0.359 61.888 62.100 0.246 0.000 0.978 439 T CB 0.131 69.121 68.868 0.204 0.000 0.930 439 T HN 0.224 nan 8.240 nan 0.000 0.447 440 F N 2.783 122.733 119.950 -0.000 0.000 2.402 440 F HA 0.420 4.966 4.527 0.030 0.000 0.355 440 F C -0.399 175.404 175.800 0.004 0.000 1.123 440 F CA -1.412 56.615 58.000 0.045 0.000 1.021 440 F CB 0.892 39.834 39.000 -0.096 0.000 1.160 440 F HN 0.508 nan 8.300 nan 0.000 0.451 441 Y N 3.445 123.863 120.300 0.196 0.000 2.454 441 Y HA 0.455 5.022 4.550 0.029 0.000 0.345 441 Y C 0.271 176.271 175.900 0.167 0.000 0.970 441 Y CA -1.025 57.152 58.100 0.129 0.000 1.204 441 Y CB 0.805 39.304 38.460 0.064 0.000 1.122 441 Y HN 0.391 nan 8.280 nan 0.000 0.514 442 V N 0.255 120.294 119.914 0.208 0.000 2.837 442 V HA 0.728 4.865 4.120 0.029 0.000 0.310 442 V C -0.568 175.605 176.094 0.131 0.000 1.059 442 V CA -0.508 61.913 62.300 0.201 0.000 1.004 442 V CB 2.155 34.068 31.823 0.150 0.000 1.045 442 V HN 0.629 nan 8.190 nan 0.000 0.465 443 D N 1.145 121.619 120.400 0.123 0.000 2.878 443 D HA 0.573 5.231 4.640 0.029 0.000 0.211 443 D C -0.670 175.672 176.300 0.070 0.000 1.271 443 D CA 0.082 54.130 54.000 0.080 0.000 0.845 443 D CB 2.160 43.002 40.800 0.070 0.000 1.679 443 D HN 1.171 nan 8.370 nan 0.000 0.536 444 G N 0.350 109.184 108.800 0.055 0.000 2.566 444 G HA2 0.760 4.737 3.960 0.029 0.000 0.311 444 G HA3 0.760 4.737 3.960 0.029 0.000 0.311 444 G C -1.376 173.549 174.900 0.042 0.000 1.322 444 G CA -0.559 44.569 45.100 0.047 0.000 0.969 444 G HN 0.458 nan 8.290 nan 0.000 0.490 445 A N 0.427 123.270 122.820 0.038 0.000 2.408 445 A HA 0.948 5.285 4.320 0.029 0.000 0.295 445 A C -0.343 177.259 177.584 0.030 0.000 1.040 445 A CA -0.037 52.023 52.037 0.038 0.000 0.707 445 A CB 1.540 20.563 19.000 0.039 0.000 1.235 445 A HN 2.133 nan 8.150 nan 0.000 0.418 446 A N 2.058 124.895 122.820 0.030 0.000 2.475 446 A HA 0.734 5.071 4.320 0.029 0.000 0.301 446 A C -0.740 176.857 177.584 0.023 0.000 1.059 446 A CA -0.712 51.339 52.037 0.023 0.000 0.710 446 A CB 1.191 20.203 19.000 0.020 0.000 1.288 446 A HN 0.765 nan 8.150 nan 0.000 0.408 447 N N 1.298 120.009 118.700 0.018 0.000 2.439 447 N HA 0.064 4.821 4.740 0.029 0.000 0.243 447 N C 0.759 176.279 175.510 0.016 0.000 1.088 447 N CA -0.367 52.693 53.050 0.016 0.000 0.940 447 N CB 0.611 39.106 38.487 0.012 0.000 1.180 447 N HN 0.574 nan 8.380 nan 0.000 0.505 448 R N 2.617 123.128 120.500 0.018 0.000 2.170 448 R HA -0.125 4.232 4.340 0.029 0.000 0.242 448 R C 1.046 177.354 176.300 0.013 0.000 1.145 448 R CA 1.260 57.370 56.100 0.017 0.000 0.984 448 R CB 0.087 30.399 30.300 0.020 0.000 0.869 448 R HN 0.704 nan 8.270 nan 0.000 0.455 449 E N -0.941 119.266 120.200 0.012 0.000 2.086 449 E HA -0.069 4.298 4.350 0.029 0.000 0.190 449 E C 1.619 178.224 176.600 0.009 0.000 0.975 449 E CA 1.523 57.929 56.400 0.010 0.000 0.813 449 E CB 0.058 29.764 29.700 0.009 0.000 0.768 449 E HN 0.415 nan 8.360 nan 0.000 0.457 450 T N -1.398 113.161 114.554 0.009 0.000 3.100 450 T HA 0.081 4.448 4.350 0.029 0.000 0.253 450 T C 0.654 175.359 174.700 0.008 0.000 1.118 450 T CA 0.003 62.108 62.100 0.008 0.000 1.058 450 T CB -0.135 68.738 68.868 0.007 0.000 0.953 450 T HN 0.033 nan 8.240 nan 0.000 0.515 451 K N 0.307 120.713 120.400 0.009 0.000 3.016 451 K HA -0.142 4.195 4.320 0.029 0.000 0.262 451 K C -0.550 176.055 176.600 0.009 0.000 1.043 451 K CA 0.233 56.525 56.287 0.009 0.000 0.761 451 K CB -2.054 30.450 32.500 0.008 0.000 1.230 451 K HN 0.483 nan 8.250 nan 0.000 0.485 452 L N 0.256 121.485 121.223 0.010 0.000 2.313 452 L HA 0.574 4.931 4.340 0.029 0.000 0.283 452 L C 0.696 177.573 176.870 0.012 0.000 1.013 452 L CA -0.239 54.607 54.840 0.010 0.000 0.816 452 L CB 1.640 43.704 42.059 0.008 0.000 1.236 452 L HN 0.253 nan 8.230 nan 0.000 0.419 453 G N 3.017 111.825 108.800 0.013 0.000 2.827 453 G HA2 0.658 4.635 3.960 0.029 0.000 0.296 453 G HA3 0.658 4.635 3.960 0.029 0.000 0.296 453 G C -1.745 173.164 174.900 0.016 0.000 1.362 453 G CA -0.528 44.581 45.100 0.016 0.000 0.809 453 G HN 0.407 nan 8.290 nan 0.000 0.522 454 K N -1.322 119.089 120.400 0.019 0.000 2.512 454 K HA 0.765 5.102 4.320 0.029 0.000 0.263 454 K C -1.214 175.403 176.600 0.028 0.000 0.966 454 K CA -0.702 55.596 56.287 0.018 0.000 0.851 454 K CB 2.775 35.281 32.500 0.011 0.000 1.395 454 K HN 0.920 nan 8.250 nan 0.000 0.440 455 A N 0.497 123.336 122.820 0.032 0.000 2.547 455 A HA 0.877 5.215 4.320 0.029 0.000 0.297 455 A C -0.946 176.672 177.584 0.055 0.000 1.056 455 A CA -0.175 51.894 52.037 0.053 0.000 0.688 455 A CB 1.970 21.010 19.000 0.066 0.000 1.282 455 A HN 0.793 nan 8.150 nan 0.000 0.400 456 G N -0.384 108.465 108.800 0.082 0.000 2.490 456 G HA2 0.761 4.738 3.960 0.029 0.000 0.308 456 G HA3 0.761 4.738 3.960 0.029 0.000 0.308 456 G C -1.403 173.603 174.900 0.177 0.000 1.286 456 G CA 0.330 45.464 45.100 0.057 0.000 0.825 456 G HN 2.161 nan 8.290 nan 0.000 0.479 457 Y N -2.621 117.731 120.300 0.086 0.000 2.689 457 Y HA 0.776 5.344 4.550 0.030 0.000 0.333 457 Y C -1.231 174.694 175.900 0.042 0.000 1.208 457 Y CA -1.668 56.502 58.100 0.117 0.000 1.055 457 Y CB 1.516 40.126 38.460 0.250 0.000 1.304 457 Y HN 0.777 nan 8.280 nan 0.000 0.455 458 V N 1.401 121.460 119.914 0.241 0.000 2.577 458 V HA 0.513 4.651 4.120 0.029 0.000 0.294 458 V C -0.257 175.889 176.094 0.086 0.000 1.052 458 V CA -0.226 62.115 62.300 0.069 0.000 0.891 458 V CB 1.091 32.916 31.823 0.002 0.000 1.017 458 V HN 1.110 nan 8.190 nan 0.000 0.436 459 T N 0.295 114.810 114.554 -0.064 0.000 2.918 459 T HA 0.234 4.601 4.350 0.029 0.000 0.283 459 T C 1.312 175.976 174.700 -0.060 0.000 1.001 459 T CA -0.087 61.912 62.100 -0.168 0.000 1.041 459 T CB 1.197 69.734 68.868 -0.551 0.000 1.028 459 T HN 0.719 nan 8.240 nan 0.000 0.511 460 N N 2.325 121.031 118.700 0.010 0.000 2.348 460 N HA -0.180 4.577 4.740 0.029 0.000 0.185 460 N C 1.310 176.806 175.510 -0.023 0.000 1.019 460 N CA 0.910 53.963 53.050 0.006 0.000 0.880 460 N CB -0.400 38.128 38.487 0.068 0.000 0.965 460 N HN 0.700 nan 8.380 nan 0.000 0.437 461 R N -0.508 119.967 120.500 -0.042 0.000 2.313 461 R HA 0.133 4.490 4.340 0.029 0.000 0.199 461 R C 1.010 177.283 176.300 -0.046 0.000 0.958 461 R CA 0.490 56.566 56.100 -0.039 0.000 1.047 461 R CB 0.035 30.313 30.300 -0.037 0.000 0.955 461 R HN 0.486 nan 8.270 nan 0.000 0.481 462 G N 1.309 110.074 108.800 -0.058 0.000 2.234 462 G HA2 -0.335 3.643 3.960 0.029 0.000 0.235 462 G HA3 -0.335 3.643 3.960 0.029 0.000 0.235 462 G C 0.279 175.145 174.900 -0.056 0.000 0.997 462 G CA -0.029 45.039 45.100 -0.053 0.000 0.623 462 G HN 0.370 nan 8.290 nan 0.000 0.514 463 R N 1.510 121.973 120.500 -0.061 0.000 2.734 463 R HA 0.456 4.814 4.340 0.029 0.000 0.266 463 R C 0.452 176.727 176.300 -0.041 0.000 1.044 463 R CA 1.088 57.174 56.100 -0.024 0.000 1.128 463 R CB 0.092 30.395 30.300 0.006 0.000 1.010 463 R HN 0.674 nan 8.270 nan 0.000 0.461 464 Q N 1.845 121.577 119.800 -0.112 0.000 2.575 464 Q HA 0.469 4.827 4.340 0.029 0.000 0.290 464 Q C -1.788 173.893 176.000 -0.532 0.000 0.963 464 Q CA -1.246 54.340 55.803 -0.361 0.000 0.783 464 Q CB 2.138 30.747 28.738 -0.214 0.000 1.467 464 Q HN 0.584 nan 8.270 nan 0.000 0.402 465 K N 0.245 120.199 120.400 -0.743 0.000 2.660 465 K HA 0.615 4.952 4.320 0.029 0.000 0.285 465 K C -2.171 174.216 176.600 -0.354 0.000 0.997 465 K CA -0.585 55.399 56.287 -0.504 0.000 0.861 465 K CB 2.413 34.619 32.500 -0.490 0.000 1.469 465 K HN 0.521 nan 8.250 nan 0.000 0.395 466 V N 1.548 121.361 119.914 -0.169 0.000 3.048 466 V HA 0.580 4.718 4.120 0.029 0.000 0.303 466 V C -1.303 174.767 176.094 -0.040 0.000 1.214 466 V CA -0.848 61.399 62.300 -0.087 0.000 0.984 466 V CB 2.134 33.914 31.823 -0.072 0.000 1.054 466 V HN 0.564 nan 8.190 nan 0.000 0.430 467 V N 1.455 121.363 119.914 -0.009 0.000 2.841 467 V HA 0.610 4.748 4.120 0.029 0.000 0.310 467 V C -0.260 175.839 176.094 0.010 0.000 1.090 467 V CA -0.451 61.852 62.300 0.006 0.000 0.930 467 V CB 2.734 34.572 31.823 0.024 0.000 1.014 467 V HN 0.952 nan 8.190 nan 0.000 0.425 468 T N 5.598 120.157 114.554 0.008 0.000 2.829 468 T HA 0.759 5.126 4.350 0.029 0.000 0.282 468 T C -0.555 174.153 174.700 0.014 0.000 0.990 468 T CA -0.294 61.812 62.100 0.009 0.000 1.028 468 T CB 0.821 69.692 68.868 0.005 0.000 0.951 468 T HN 0.399 nan 8.240 nan 0.000 0.460 469 L N 2.763 123.995 121.223 0.015 0.000 2.381 469 L HA 0.714 5.072 4.340 0.029 0.000 0.268 469 L C 0.448 177.325 176.870 0.013 0.000 0.997 469 L CA -1.113 53.737 54.840 0.016 0.000 0.818 469 L CB 2.178 44.249 42.059 0.021 0.000 1.310 469 L HN 0.684 nan 8.230 nan 0.000 0.416 470 T N -2.809 111.752 114.554 0.011 0.000 2.885 470 T HA 0.436 4.803 4.350 0.029 0.000 0.285 470 T C -0.083 174.622 174.700 0.008 0.000 1.019 470 T CA -0.494 61.611 62.100 0.009 0.000 1.010 470 T CB 1.665 70.538 68.868 0.008 0.000 1.022 470 T HN 0.702 nan 8.240 nan 0.000 0.466 471 D N 0.170 120.574 120.400 0.007 0.000 2.705 471 D HA -0.161 4.497 4.640 0.029 0.000 0.240 471 D C -0.137 176.166 176.300 0.005 0.000 1.137 471 D CA 1.644 55.647 54.000 0.006 0.000 0.677 471 D CB -1.103 39.700 40.800 0.005 0.000 1.049 471 D HN 0.929 nan 8.370 nan 0.000 0.427 472 T N -1.190 113.368 114.554 0.006 0.000 2.693 472 T HA 0.854 5.222 4.350 0.029 0.000 0.278 472 T C -0.411 174.292 174.700 0.005 0.000 0.994 472 T CA 0.429 62.531 62.100 0.004 0.000 1.033 472 T CB 1.604 70.476 68.868 0.007 0.000 1.342 472 T HN 0.353 nan 8.240 nan 0.000 0.538 473 T N -0.891 113.665 114.554 0.003 0.000 2.864 473 T HA 0.422 4.790 4.350 0.029 0.000 0.299 473 T C 0.792 175.496 174.700 0.008 0.000 1.166 473 T CA -0.718 61.386 62.100 0.006 0.000 1.007 473 T CB 1.330 70.201 68.868 0.005 0.000 1.219 473 T HN 0.562 nan 8.240 nan 0.000 0.506 474 N N 0.473 119.182 118.700 0.016 0.000 2.043 474 N HA -0.239 4.518 4.740 0.029 0.000 0.193 474 N C 2.123 177.641 175.510 0.012 0.000 1.037 474 N CA 2.316 55.379 53.050 0.021 0.000 0.851 474 N CB -0.267 38.240 38.487 0.034 0.000 1.027 474 N HN 0.836 nan 8.380 nan 0.000 0.422 475 Q N 0.866 120.671 119.800 0.008 0.000 2.077 475 Q HA -0.227 4.130 4.340 0.029 0.000 0.206 475 Q C 1.652 177.615 176.000 -0.062 0.000 0.989 475 Q CA 1.651 57.443 55.803 -0.018 0.000 0.853 475 Q CB -0.263 28.470 28.738 -0.009 0.000 0.907 475 Q HN 0.240 nan 8.270 nan 0.000 0.418 476 K N 0.448 120.817 120.400 -0.052 0.000 2.020 476 K HA -0.192 4.146 4.320 0.029 0.000 0.212 476 K C 2.504 179.085 176.600 -0.032 0.000 1.050 476 K CA 2.215 58.467 56.287 -0.058 0.000 0.929 476 K CB -0.595 31.883 32.500 -0.036 0.000 0.714 476 K HN 0.647 nan 8.250 nan 0.000 0.443 477 T N -0.221 114.330 114.554 -0.005 0.000 2.622 477 T HA -0.218 4.149 4.350 0.029 0.000 0.266 477 T C 1.715 176.426 174.700 0.018 0.000 1.047 477 T CA 1.540 63.650 62.100 0.017 0.000 1.159 477 T CB -0.638 68.245 68.868 0.024 0.000 0.863 477 T HN 0.301 nan 8.240 nan 0.000 0.422 478 E N 1.487 121.693 120.200 0.010 0.000 2.113 478 E HA -0.188 4.179 4.350 0.029 0.000 0.210 478 E C 2.303 178.901 176.600 -0.003 0.000 1.040 478 E CA 1.865 58.273 56.400 0.013 0.000 0.847 478 E CB -0.623 29.083 29.700 0.010 0.000 0.755 478 E HN 0.517 nan 8.360 nan 0.000 0.459 479 L N 0.312 121.504 121.223 -0.052 0.000 2.056 479 L HA -0.212 4.145 4.340 0.029 0.000 0.207 479 L C 2.761 179.636 176.870 0.009 0.000 1.078 479 L CA 1.145 55.938 54.840 -0.078 0.000 0.749 479 L CB -0.383 41.564 42.059 -0.187 0.000 0.901 479 L HN 0.129 nan 8.230 nan 0.000 0.433 480 Q N 0.494 120.318 119.800 0.038 0.000 2.170 480 Q HA -0.169 4.189 4.340 0.029 0.000 0.203 480 Q C 2.115 178.201 176.000 0.144 0.000 0.976 480 Q CA 1.810 57.692 55.803 0.132 0.000 0.858 480 Q CB -0.176 28.623 28.738 0.103 0.000 0.907 480 Q HN 0.438 nan 8.270 nan 0.000 0.433 481 A N 0.459 123.339 122.820 0.101 0.000 1.851 481 A HA -0.181 4.156 4.320 0.029 0.000 0.216 481 A C 2.106 179.754 177.584 0.106 0.000 1.195 481 A CA 1.711 53.822 52.037 0.124 0.000 0.622 481 A CB -0.896 18.166 19.000 0.105 0.000 0.831 481 A HN 0.482 nan 8.150 nan 0.000 0.444 482 I N -1.785 118.823 120.570 0.063 0.000 2.335 482 I HA -0.266 3.921 4.170 0.029 0.000 0.251 482 I C 2.481 178.614 176.117 0.028 0.000 1.129 482 I CA 1.570 62.878 61.300 0.012 0.000 1.402 482 I CB -0.402 37.597 38.000 -0.002 0.000 1.069 482 I HN 0.530 nan 8.210 nan 0.000 0.424 483 Y N 1.728 121.986 120.300 -0.069 0.000 2.163 483 Y HA -0.173 4.394 4.550 0.028 0.000 0.288 483 Y C 2.268 178.123 175.900 -0.074 0.000 1.136 483 Y CA 1.416 59.470 58.100 -0.076 0.000 1.147 483 Y CB -0.532 37.897 38.460 -0.052 0.000 0.987 483 Y HN 0.016 nan 8.280 nan 0.000 0.509 484 L N -0.447 120.688 121.223 -0.147 0.000 2.083 484 L HA -0.194 4.163 4.340 0.029 0.000 0.209 484 L C 2.738 179.457 176.870 -0.252 0.000 1.083 484 L CA 1.027 55.762 54.840 -0.176 0.000 0.752 484 L CB -1.012 41.111 42.059 0.106 0.000 0.899 484 L HN 0.270 nan 8.230 nan 0.000 0.433 485 A N 0.516 123.155 122.820 -0.301 0.000 1.865 485 A HA -0.203 4.134 4.320 0.029 0.000 0.217 485 A C 2.248 179.337 177.584 -0.825 0.000 1.191 485 A CA 1.639 53.240 52.037 -0.725 0.000 0.623 485 A CB -0.784 17.898 19.000 -0.530 0.000 0.826 485 A HN 0.349 nan 8.150 nan 0.000 0.444 486 L N -0.956 119.978 121.223 -0.481 0.000 2.046 486 L HA -0.259 4.098 4.340 0.029 0.000 0.208 486 L C 2.941 179.621 176.870 -0.316 0.000 1.077 486 L CA 1.645 56.268 54.840 -0.362 0.000 0.747 486 L CB -0.571 41.381 42.059 -0.179 0.000 0.896 486 L HN 0.492 nan 8.230 nan 0.000 0.432 487 Q N -0.207 119.388 119.800 -0.341 0.000 2.050 487 Q HA -0.204 4.153 4.340 0.029 0.000 0.202 487 Q C 1.270 177.163 176.000 -0.179 0.000 0.980 487 Q CA 1.555 57.188 55.803 -0.284 0.000 0.840 487 Q CB -0.026 28.473 28.738 -0.398 0.000 0.898 487 Q HN 0.498 nan 8.270 nan 0.000 0.424 488 D N 0.106 120.403 120.400 -0.172 0.000 2.340 488 D HA 0.003 4.660 4.640 0.029 0.000 0.220 488 D C 0.344 176.671 176.300 0.045 0.000 1.039 488 D CA 0.249 54.237 54.000 -0.021 0.000 0.866 488 D CB 0.184 41.052 40.800 0.114 0.000 0.913 488 D HN 0.125 nan 8.370 nan 0.000 0.523 489 S N -0.880 114.751 115.700 -0.114 0.000 2.722 489 S HA 0.688 5.175 4.470 0.029 0.000 0.292 489 S C 0.818 175.402 174.600 -0.026 0.000 1.135 489 S CA -0.784 57.399 58.200 -0.029 0.000 1.003 489 S CB 2.025 65.001 63.200 -0.373 0.000 1.067 489 S HN 0.048 nan 8.310 nan 0.000 0.546 490 G N -0.143 108.674 108.800 0.027 0.000 2.525 490 G HA2 0.347 4.324 3.960 0.029 0.000 0.276 490 G HA3 0.347 4.324 3.960 0.029 0.000 0.276 490 G C 0.401 175.296 174.900 -0.009 0.000 1.388 490 G CA -0.657 44.453 45.100 0.016 0.000 1.050 490 G HN 0.559 nan 8.290 nan 0.000 0.520 491 L N -0.338 120.888 121.223 0.004 0.000 2.456 491 L HA 0.137 4.494 4.340 0.029 0.000 0.224 491 L C 1.187 178.060 176.870 0.005 0.000 1.148 491 L CA 1.074 55.916 54.840 0.003 0.000 0.825 491 L CB -0.662 41.406 42.059 0.015 0.000 0.937 491 L HN 0.469 nan 8.230 nan 0.000 0.450 492 E N -1.268 118.938 120.200 0.009 0.000 2.224 492 E HA 0.608 4.975 4.350 0.029 0.000 0.265 492 E C -1.227 175.382 176.600 0.015 0.000 0.878 492 E CA -0.402 56.009 56.400 0.018 0.000 0.759 492 E CB 2.502 32.221 29.700 0.032 0.000 1.164 492 E HN -0.195 nan 8.360 nan 0.000 0.414 493 V N 1.680 121.594 119.914 -0.000 0.000 3.078 493 V HA 0.501 4.638 4.120 0.029 0.000 0.311 493 V C -0.590 175.526 176.094 0.038 0.000 1.138 493 V CA -1.182 61.108 62.300 -0.016 0.000 1.007 493 V CB 2.401 34.112 31.823 -0.186 0.000 1.045 493 V HN 0.599 nan 8.190 nan 0.000 0.432 494 N N 1.737 120.481 118.700 0.074 0.000 2.346 494 N HA 0.728 5.485 4.740 0.029 0.000 0.289 494 N C -1.466 174.076 175.510 0.053 0.000 1.027 494 N CA -0.252 52.871 53.050 0.122 0.000 0.864 494 N CB 2.585 41.165 38.487 0.155 0.000 1.370 494 N HN 0.630 nan 8.380 nan 0.000 0.481 495 I N 1.417 121.975 120.570 -0.019 0.000 2.512 495 I HA 0.272 4.459 4.170 0.029 0.000 0.287 495 I C -0.308 175.736 176.117 -0.122 0.000 1.069 495 I CA -1.070 60.186 61.300 -0.072 0.000 1.056 495 I CB 2.384 40.310 38.000 -0.123 0.000 1.229 495 I HN 0.092 nan 8.210 nan 0.000 0.429 496 V N 5.020 124.814 119.914 -0.201 0.000 2.547 496 V HA 0.814 4.951 4.120 0.029 0.000 0.299 496 V C -0.556 175.442 176.094 -0.159 0.000 1.040 496 V CA 0.317 62.473 62.300 -0.240 0.000 0.913 496 V CB 1.938 33.490 31.823 -0.451 0.000 0.992 496 V HN 0.867 nan 8.190 nan 0.000 0.449 497 T N 2.640 117.115 114.554 -0.132 0.000 2.843 497 T HA 0.470 4.837 4.350 0.029 0.000 0.302 497 T C -0.503 174.054 174.700 -0.237 0.000 1.232 497 T CA 0.259 62.302 62.100 -0.095 0.000 1.009 497 T CB 1.820 70.689 68.868 0.002 0.000 1.254 497 T HN 1.010 nan 8.240 nan 0.000 0.504 498 D N 0.244 120.522 120.400 -0.204 0.000 2.440 498 D HA 0.259 4.916 4.640 0.029 0.000 0.216 498 D C 0.327 176.667 176.300 0.067 0.000 1.150 498 D CA -0.257 53.520 54.000 -0.373 0.000 0.832 498 D CB 0.380 41.004 40.800 -0.294 0.000 0.992 498 D HN 0.265 nan 8.370 nan 0.000 0.502 499 S N 0.479 116.301 115.700 0.204 0.000 2.455 499 S HA -0.002 4.486 4.470 0.029 0.000 0.278 499 S C 1.189 176.041 174.600 0.418 0.000 1.216 499 S CA -0.443 57.923 58.200 0.277 0.000 1.055 499 S CB 0.779 64.077 63.200 0.163 0.000 0.939 499 S HN 0.170 nan 8.310 nan 0.000 0.494 500 Q N 3.728 123.711 119.800 0.305 0.000 2.170 500 Q HA -0.165 4.192 4.340 0.029 0.000 0.203 500 Q C 1.222 177.229 176.000 0.011 0.000 0.976 500 Q CA 1.610 57.451 55.803 0.063 0.000 0.858 500 Q CB -0.163 28.593 28.738 0.030 0.000 0.907 500 Q HN 1.006 nan 8.270 nan 0.000 0.433 501 Y N -0.070 120.213 120.300 -0.029 0.000 2.314 501 Y HA -0.116 4.451 4.550 0.028 0.000 0.293 501 Y C 2.086 177.963 175.900 -0.039 0.000 1.129 501 Y CA 0.871 58.937 58.100 -0.057 0.000 1.201 501 Y CB 0.144 38.574 38.460 -0.049 0.000 0.999 501 Y HN 0.135 nan 8.280 nan 0.000 0.541 502 A N -0.123 122.866 122.820 0.281 0.000 2.015 502 A HA -0.156 4.181 4.320 0.029 0.000 0.219 502 A C 1.932 179.583 177.584 0.113 0.000 1.163 502 A CA 1.237 53.395 52.037 0.201 0.000 0.646 502 A CB -0.826 18.271 19.000 0.161 0.000 0.806 502 A HN 0.516 nan 8.150 nan 0.000 0.448 503 L N -0.016 121.214 121.223 0.012 0.000 2.201 503 L HA 0.034 4.391 4.340 0.029 0.000 0.212 503 L C 2.221 178.996 176.870 -0.158 0.000 1.105 503 L CA 1.816 56.552 54.840 -0.173 0.000 0.775 503 L CB -0.907 40.809 42.059 -0.573 0.000 0.913 503 L HN 0.286 nan 8.230 nan 0.000 0.440 504 G N -0.382 108.342 108.800 -0.127 0.000 2.404 504 G HA2 -0.197 3.780 3.960 0.029 0.000 0.214 504 G HA3 -0.197 3.780 3.960 0.029 0.000 0.214 504 G C 1.625 176.520 174.900 -0.009 0.000 1.189 504 G CA 0.859 45.863 45.100 -0.160 0.000 0.789 504 G HN 0.418 nan 8.290 nan 0.000 0.533 505 I N 0.775 121.414 120.570 0.116 0.000 2.248 505 I HA -0.211 3.976 4.170 0.029 0.000 0.248 505 I C 2.616 178.836 176.117 0.172 0.000 1.107 505 I CA 0.867 62.291 61.300 0.207 0.000 1.373 505 I CB -0.206 37.931 38.000 0.228 0.000 1.055 505 I HN 0.170 nan 8.210 nan 0.000 0.418 506 I N 0.099 120.724 120.570 0.091 0.000 2.226 506 I HA -0.324 3.863 4.170 0.029 0.000 0.245 506 I C 2.673 178.830 176.117 0.065 0.000 1.100 506 I CA 1.503 62.842 61.300 0.066 0.000 1.374 506 I CB -0.363 37.637 38.000 0.001 0.000 1.057 506 I HN 0.326 nan 8.210 nan 0.000 0.413 507 Q N 0.615 120.420 119.800 0.008 0.000 2.137 507 Q HA -0.093 4.264 4.340 0.029 0.000 0.198 507 Q C 2.065 178.135 176.000 0.118 0.000 0.960 507 Q CA 1.482 57.277 55.803 -0.014 0.000 0.847 507 Q CB 0.087 28.704 28.738 -0.202 0.000 0.915 507 Q HN 0.531 nan 8.270 nan 0.000 0.448 508 A N -0.468 122.465 122.820 0.189 0.000 2.167 508 A HA 0.081 4.418 4.320 0.029 0.000 0.208 508 A C 0.256 178.110 177.584 0.450 0.000 1.198 508 A CA 0.064 52.352 52.037 0.419 0.000 0.863 508 A CB 0.279 19.522 19.000 0.405 0.000 0.904 508 A HN 0.457 nan 8.150 nan 0.000 0.484 509 Q N 0.025 120.034 119.800 0.348 0.000 2.431 509 Q HA -0.128 4.229 4.340 0.029 0.000 0.344 509 Q C -2.181 174.021 176.000 0.338 0.000 1.384 509 Q CA 0.391 56.415 55.803 0.369 0.000 0.984 509 Q CB -1.622 27.257 28.738 0.234 0.000 1.204 509 Q HN 0.592 nan 8.270 nan 0.000 0.392 510 P HA -0.066 nan 4.420 nan 0.000 0.266 510 P C -0.155 177.329 177.300 0.307 0.000 1.195 510 P CA 0.590 63.886 63.100 0.326 0.000 0.768 510 P CB 0.628 32.544 31.700 0.360 0.000 0.838 511 D N 0.844 121.368 120.400 0.206 0.000 2.538 511 D HA 0.099 4.756 4.640 0.029 0.000 0.231 511 D C -0.012 176.291 176.300 0.004 0.000 1.229 511 D CA -0.294 53.785 54.000 0.133 0.000 0.828 511 D CB 0.075 40.947 40.800 0.120 0.000 1.035 511 D HN 0.511 nan 8.370 nan 0.000 0.495 512 Q N -2.067 117.775 119.800 0.071 0.000 2.616 512 Q HA 0.440 4.798 4.340 0.029 0.000 0.254 512 Q C -1.740 174.325 176.000 0.109 0.000 0.975 512 Q CA -0.854 54.970 55.803 0.036 0.000 0.976 512 Q CB 0.786 29.524 28.738 0.001 0.000 1.594 512 Q HN -0.027 nan 8.270 nan 0.000 0.425 513 S N -0.185 115.569 115.700 0.090 0.000 2.685 513 S HA 0.308 4.796 4.470 0.029 0.000 0.282 513 S C 0.239 174.889 174.600 0.083 0.000 1.159 513 S CA 0.085 58.367 58.200 0.137 0.000 0.833 513 S CB 1.754 65.041 63.200 0.146 0.000 1.151 513 S HN 0.806 nan 8.310 nan 0.000 0.485 514 E N 0.352 120.609 120.200 0.096 0.000 2.158 514 E HA 0.055 4.422 4.350 0.029 0.000 0.191 514 E C 0.568 177.183 176.600 0.025 0.000 0.982 514 E CA 0.545 56.981 56.400 0.060 0.000 0.823 514 E CB -0.075 29.668 29.700 0.073 0.000 0.766 514 E HN 0.276 nan 8.360 nan 0.000 0.468 515 S N 0.435 116.144 115.700 0.016 0.000 2.489 515 S HA 0.077 4.565 4.470 0.029 0.000 0.277 515 S C 0.702 175.268 174.600 -0.056 0.000 1.230 515 S CA -0.485 57.700 58.200 -0.026 0.000 1.053 515 S CB 1.533 64.703 63.200 -0.050 0.000 0.955 515 S HN 0.296 nan 8.310 nan 0.000 0.488 516 E N 3.661 123.821 120.200 -0.067 0.000 2.118 516 E HA -0.153 4.214 4.350 0.029 0.000 0.195 516 E C 1.618 178.129 176.600 -0.149 0.000 0.992 516 E CA 1.516 57.862 56.400 -0.090 0.000 0.804 516 E CB -0.270 29.384 29.700 -0.078 0.000 0.741 516 E HN 0.733 nan 8.360 nan 0.000 0.458 517 L N -0.266 120.857 121.223 -0.166 0.000 1.989 517 L HA -0.173 4.185 4.340 0.029 0.000 0.211 517 L C 2.276 178.984 176.870 -0.270 0.000 1.071 517 L CA 1.659 56.350 54.840 -0.248 0.000 0.749 517 L CB -0.792 41.147 42.059 -0.199 0.000 0.890 517 L HN 0.129 nan 8.230 nan 0.000 0.431 518 V N 0.317 120.116 119.914 -0.193 0.000 2.332 518 V HA -0.323 3.814 4.120 0.029 0.000 0.248 518 V C 2.424 178.449 176.094 -0.115 0.000 1.055 518 V CA 1.882 64.094 62.300 -0.147 0.000 1.038 518 V CB -1.062 30.720 31.823 -0.069 0.000 0.651 518 V HN 0.510 nan 8.190 nan 0.000 0.450 519 N N 0.432 119.067 118.700 -0.109 0.000 2.036 519 N HA -0.224 4.534 4.740 0.029 0.000 0.195 519 N C 1.925 177.348 175.510 -0.146 0.000 1.037 519 N CA 1.827 54.817 53.050 -0.100 0.000 0.855 519 N CB -0.493 37.937 38.487 -0.095 0.000 1.033 519 N HN 0.636 nan 8.380 nan 0.000 0.423 520 Q N 0.235 119.889 119.800 -0.244 0.000 2.061 520 Q HA -0.074 4.283 4.340 0.029 0.000 0.204 520 Q C 2.171 178.001 176.000 -0.282 0.000 0.984 520 Q CA 1.061 56.658 55.803 -0.344 0.000 0.846 520 Q CB -0.244 28.067 28.738 -0.712 0.000 0.902 520 Q HN 0.438 nan 8.270 nan 0.000 0.421 521 I N 0.697 121.085 120.570 -0.303 0.000 2.264 521 I HA -0.286 3.901 4.170 0.029 0.000 0.248 521 I C 2.277 178.342 176.117 -0.085 0.000 1.111 521 I CA 1.102 62.334 61.300 -0.114 0.000 1.382 521 I CB -0.343 37.589 38.000 -0.113 0.000 1.060 521 I HN 0.237 nan 8.210 nan 0.000 0.418 522 I N 0.431 120.951 120.570 -0.084 0.000 2.142 522 I HA -0.253 3.935 4.170 0.029 0.000 0.240 522 I C 2.560 178.651 176.117 -0.043 0.000 1.078 522 I CA 1.262 62.533 61.300 -0.049 0.000 1.343 522 I CB -0.538 37.471 38.000 0.015 0.000 1.046 522 I HN 0.229 nan 8.210 nan 0.000 0.405 523 E N 0.663 120.839 120.200 -0.041 0.000 2.171 523 E HA -0.238 4.129 4.350 0.029 0.000 0.197 523 E C 2.155 178.764 176.600 0.014 0.000 0.997 523 E CA 1.157 57.549 56.400 -0.013 0.000 0.810 523 E CB -0.300 29.389 29.700 -0.018 0.000 0.738 523 E HN 0.529 nan 8.360 nan 0.000 0.467 524 Q N 0.077 119.887 119.800 0.017 0.000 2.049 524 Q HA 0.012 4.369 4.340 0.029 0.000 0.198 524 Q C 2.632 178.599 176.000 -0.054 0.000 0.971 524 Q CA 0.519 56.331 55.803 0.015 0.000 0.833 524 Q CB -0.354 28.426 28.738 0.070 0.000 0.896 524 Q HN 0.327 nan 8.270 nan 0.000 0.434 525 L N 0.405 121.544 121.223 -0.140 0.000 2.012 525 L HA -0.209 4.148 4.340 0.029 0.000 0.210 525 L C 2.424 179.199 176.870 -0.158 0.000 1.073 525 L CA 1.079 55.740 54.840 -0.297 0.000 0.748 525 L CB -0.502 41.127 42.059 -0.715 0.000 0.891 525 L HN 0.180 nan 8.230 nan 0.000 0.431 526 I N -0.387 120.174 120.570 -0.015 0.000 2.335 526 I HA -0.317 3.870 4.170 0.029 0.000 0.251 526 I C 2.402 178.600 176.117 0.134 0.000 1.129 526 I CA 1.399 62.813 61.300 0.191 0.000 1.402 526 I CB -0.245 37.912 38.000 0.261 0.000 1.069 526 I HN 0.264 nan 8.210 nan 0.000 0.424 527 K N 0.373 120.811 120.400 0.065 0.000 2.167 527 K HA -0.024 4.313 4.320 0.029 0.000 0.203 527 K C 0.669 177.289 176.600 0.034 0.000 1.052 527 K CA 0.495 56.813 56.287 0.052 0.000 0.956 527 K CB 0.124 32.643 32.500 0.031 0.000 0.735 527 K HN 0.114 nan 8.250 nan 0.000 0.451 528 K N 1.251 121.658 120.400 0.011 0.000 2.219 528 K HA 0.011 4.349 4.320 0.029 0.000 0.258 528 K C 0.833 177.455 176.600 0.037 0.000 1.008 528 K CA 0.422 56.712 56.287 0.005 0.000 0.928 528 K CB 0.662 33.146 32.500 -0.027 0.000 0.983 528 K HN 0.114 nan 8.250 nan 0.000 0.484 529 E N 0.920 121.141 120.200 0.034 0.000 2.140 529 E HA -0.020 4.347 4.350 0.029 0.000 0.191 529 E C -0.288 176.345 176.600 0.056 0.000 0.973 529 E CA 0.931 57.359 56.400 0.046 0.000 0.829 529 E CB 0.397 30.119 29.700 0.037 0.000 0.781 529 E HN 0.304 nan 8.360 nan 0.000 0.466 530 K N 0.469 120.898 120.400 0.047 0.000 2.550 530 K HA 0.416 4.753 4.320 0.029 0.000 0.252 530 K C -1.602 175.030 176.600 0.053 0.000 0.943 530 K CA -0.413 55.911 56.287 0.062 0.000 0.806 530 K CB 3.082 35.617 32.500 0.057 0.000 1.289 530 K HN -0.203 nan 8.250 nan 0.000 0.435 531 V N 2.583 122.543 119.914 0.076 0.000 2.686 531 V HA 0.366 4.504 4.120 0.029 0.000 0.306 531 V C -1.614 174.563 176.094 0.140 0.000 1.065 531 V CA -0.970 61.365 62.300 0.058 0.000 0.894 531 V CB 1.705 33.518 31.823 -0.017 0.000 1.004 531 V HN 0.750 nan 8.190 nan 0.000 0.424 532 Y N 5.065 125.365 120.300 -0.000 0.000 2.326 532 Y HA 0.774 5.341 4.550 0.028 0.000 0.329 532 Y C -1.251 174.652 175.900 0.004 0.000 0.973 532 Y CA -0.939 57.171 58.100 0.016 0.000 1.162 532 Y CB 1.621 40.091 38.460 0.016 0.000 1.147 532 Y HN 0.590 nan 8.280 nan 0.000 0.456 533 L N 5.662 126.597 121.223 -0.479 0.000 2.309 533 L HA 0.855 5.212 4.340 0.029 0.000 0.282 533 L C -0.621 175.896 176.870 -0.588 0.000 1.036 533 L CA -0.334 54.282 54.840 -0.373 0.000 0.806 533 L CB 1.575 43.531 42.059 -0.173 0.000 1.220 533 L HN 0.796 nan 8.230 nan 0.000 0.429 534 A N 3.508 126.126 122.820 -0.336 0.000 2.374 534 A HA 0.555 4.892 4.320 0.029 0.000 0.305 534 A C -1.920 175.654 177.584 -0.017 0.000 1.053 534 A CA -0.506 51.410 52.037 -0.202 0.000 0.726 534 A CB 0.674 19.610 19.000 -0.106 0.000 1.229 534 A HN 0.718 nan 8.150 nan 0.000 0.431 535 W N 3.636 124.870 121.300 -0.110 0.000 2.469 535 W HA 0.597 5.274 4.660 0.028 0.000 0.320 535 W C -0.724 175.769 176.519 -0.042 0.000 1.086 535 W CA -0.391 56.912 57.345 -0.069 0.000 1.211 535 W CB 1.689 31.112 29.460 -0.061 0.000 1.298 535 W HN 0.866 nan 8.180 nan 0.000 0.525 536 V N 4.319 123.556 119.914 -1.128 0.000 2.876 536 V HA 0.684 4.821 4.120 0.029 0.000 0.312 536 V C -2.430 172.670 176.094 -1.657 0.000 1.085 536 V CA -3.009 58.646 62.300 -1.074 0.000 0.945 536 V CB 1.592 33.136 31.823 -0.464 0.000 1.017 536 V HN 0.554 nan 8.190 nan 0.000 0.428 537 P HA 0.198 nan 4.420 nan 0.000 0.265 537 P C 0.090 177.132 177.300 -0.430 0.000 1.193 537 P CA 0.595 63.287 63.100 -0.680 0.000 0.765 537 P CB 0.782 32.354 31.700 -0.214 0.000 0.823 538 A N 4.123 126.737 122.820 -0.343 0.000 2.327 538 A HA 0.363 4.700 4.320 0.029 0.000 0.255 538 A C 0.222 177.615 177.584 -0.319 0.000 1.099 538 A CA 0.213 52.011 52.037 -0.398 0.000 0.801 538 A CB -0.601 18.053 19.000 -0.576 0.000 1.062 538 A HN 0.792 nan 8.150 nan 0.000 0.496 539 H N 0.000 119.054 119.070 -0.027 0.000 2.539 539 H HA 0.000 4.573 4.556 0.029 0.000 0.296 539 H CA 0.000 56.039 56.048 -0.014 0.000 1.023 539 H CB 0.000 29.762 29.762 -0.001 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496