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 2jle_1_B DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKKKDSTKWR KLVDFRELNK RTQDFWEVQL GIPHPAGLKK DATA SEQUENCE KKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFR KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPXXXXX XXXXXXXMGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLCKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWYQLE 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 0.000 174.638 174.600 0.064 0.000 1.055 3 S CA 0.000 58.232 58.200 0.054 0.000 1.107 3 S CB 0.000 63.235 63.200 0.058 0.000 0.593 4 P HA 0.091 nan 4.420 nan 0.000 0.191 4 P C -1.245 176.095 177.300 0.066 0.000 0.942 4 P CA 0.608 63.743 63.100 0.060 0.000 1.312 4 P CB -0.432 31.296 31.700 0.047 0.000 1.452 5 I N 3.696 124.316 120.570 0.083 0.000 2.405 5 I HA 0.058 4.228 4.170 0.001 0.000 0.280 5 I C 0.684 176.860 176.117 0.097 0.000 1.027 5 I CA -1.464 59.890 61.300 0.091 0.000 1.161 5 I CB 0.688 38.753 38.000 0.109 0.000 1.300 5 I HN 0.348 nan 8.210 nan 0.000 0.463 6 E N 5.109 125.359 120.200 0.083 0.000 3.655 6 E HA -0.206 4.145 4.350 0.001 0.000 0.282 6 E C -0.277 176.383 176.600 0.100 0.000 0.811 6 E CA 0.286 56.736 56.400 0.084 0.000 0.985 6 E CB -0.338 29.405 29.700 0.072 0.000 0.926 6 E HN 0.632 nan 8.360 nan 0.000 0.560 7 T N 0.345 114.961 114.554 0.102 0.000 2.916 7 T HA 0.268 4.618 4.350 0.001 0.000 0.303 7 T C 0.508 175.280 174.700 0.120 0.000 1.025 7 T CA -0.577 61.593 62.100 0.116 0.000 1.142 7 T CB 0.933 69.869 68.868 0.113 0.000 0.947 7 T HN 0.338 nan 8.240 nan 0.000 0.544 8 V N 6.665 126.663 119.914 0.140 0.000 2.341 8 V HA 0.216 4.337 4.120 0.001 0.000 0.248 8 V C -1.751 174.442 176.094 0.164 0.000 1.107 8 V CA -1.806 60.593 62.300 0.165 0.000 1.069 8 V CB -0.606 31.348 31.823 0.218 0.000 1.177 8 V HN 0.837 nan 8.190 nan 0.000 0.492 9 P HA -0.072 nan 4.420 nan 0.000 0.238 9 P C -0.146 177.240 177.300 0.143 0.000 1.090 9 P CA 0.562 63.741 63.100 0.132 0.000 0.944 9 P CB -0.084 31.690 31.700 0.123 0.000 0.881 10 V N 4.866 124.788 119.914 0.015 0.000 2.498 10 V HA 0.252 4.372 4.120 0.001 0.000 0.279 10 V C 0.960 177.073 176.094 0.031 0.000 1.048 10 V CA -0.275 61.865 62.300 -0.265 0.000 0.967 10 V CB 0.970 32.300 31.823 -0.822 0.000 0.988 10 V HN 0.447 nan 8.190 nan 0.000 0.473 11 K N 5.058 125.496 120.400 0.063 0.000 2.413 11 K HA 0.621 4.942 4.320 0.001 0.000 0.257 11 K C -0.852 175.831 176.600 0.138 0.000 0.946 11 K CA -0.767 55.607 56.287 0.145 0.000 0.823 11 K CB 2.062 34.647 32.500 0.142 0.000 1.109 11 K HN 0.467 nan 8.250 nan 0.000 0.427 12 L N 2.297 123.571 121.223 0.085 0.000 2.472 12 L HA 0.035 4.376 4.340 0.001 0.000 0.273 12 L C 0.762 177.641 176.870 0.015 0.000 1.254 12 L CA 0.196 55.026 54.840 -0.016 0.000 0.823 12 L CB 0.378 42.256 42.059 -0.301 0.000 1.096 12 L HN 0.565 nan 8.230 nan 0.000 0.521 13 K N 1.924 122.328 120.400 0.007 0.000 2.319 13 K HA 0.156 4.476 4.320 0.001 0.000 0.265 13 K C -2.176 174.424 176.600 0.001 0.000 1.000 13 K CA -1.388 54.906 56.287 0.011 0.000 0.943 13 K CB -0.075 32.430 32.500 0.007 0.000 0.950 13 K HN 0.343 nan 8.250 nan 0.000 0.485 14 P HA -0.062 nan 4.420 nan 0.000 0.266 14 P C 0.684 177.990 177.300 0.009 0.000 1.215 14 P CA 0.626 63.732 63.100 0.010 0.000 0.763 14 P CB 0.585 32.291 31.700 0.010 0.000 0.806 15 G N 3.150 111.958 108.800 0.014 0.000 2.396 15 G HA2 -0.344 3.616 3.960 0.001 0.000 0.242 15 G HA3 -0.344 3.616 3.960 0.001 0.000 0.242 15 G C 0.305 175.216 174.900 0.020 0.000 1.069 15 G CA 0.275 45.386 45.100 0.018 0.000 0.633 15 G HN 0.550 nan 8.290 nan 0.000 0.517 16 M N 1.605 121.211 119.600 0.009 0.000 2.239 16 M HA 0.395 4.876 4.480 0.001 0.000 0.348 16 M C -0.121 176.178 176.300 -0.002 0.000 1.239 16 M CA 0.008 55.313 55.300 0.009 0.000 1.114 16 M CB 0.553 33.155 32.600 0.004 0.000 1.641 16 M HN 0.267 nan 8.290 nan 0.000 0.453 17 D N 2.561 122.984 120.400 0.039 0.000 2.217 17 D HA 0.447 5.087 4.640 0.001 0.000 0.248 17 D C 0.037 176.391 176.300 0.091 0.000 1.008 17 D CA -0.046 54.013 54.000 0.098 0.000 0.914 17 D CB 1.444 42.350 40.800 0.177 0.000 1.182 17 D HN 0.714 nan 8.370 nan 0.000 0.451 18 G N 1.795 110.684 108.800 0.147 0.000 2.825 18 G HA2 0.159 4.119 3.960 0.001 0.000 0.241 18 G HA3 0.159 4.119 3.960 0.001 0.000 0.241 18 G C -2.308 172.736 174.900 0.239 0.000 1.239 18 G CA -0.670 44.464 45.100 0.057 0.000 0.859 18 G HN 0.391 nan 8.290 nan 0.000 0.598 19 P HA 0.322 nan 4.420 nan 0.000 0.279 19 P C -0.601 176.873 177.300 0.291 0.000 1.239 19 P CA -0.269 62.961 63.100 0.216 0.000 0.789 19 P CB 0.963 32.776 31.700 0.189 0.000 0.933 20 K N 1.316 121.834 120.400 0.197 0.000 3.271 20 K HA 0.271 4.592 4.320 0.001 0.000 0.192 20 K C -0.910 175.741 176.600 0.086 0.000 1.108 20 K CA -0.362 56.008 56.287 0.138 0.000 0.902 20 K CB 0.714 33.272 32.500 0.096 0.000 0.889 20 K HN 0.176 nan 8.250 nan 0.000 0.520 21 V N 2.490 122.463 119.914 0.097 0.000 2.530 21 V HA 0.094 4.214 4.120 0.001 0.000 0.282 21 V C 0.396 176.503 176.094 0.022 0.000 1.048 21 V CA -0.675 61.670 62.300 0.075 0.000 0.997 21 V CB 0.594 32.485 31.823 0.113 0.000 0.987 21 V HN 0.431 nan 8.190 nan 0.000 0.477 22 K N 3.568 123.950 120.400 -0.031 0.000 2.276 22 K HA 0.354 4.674 4.320 0.001 0.000 0.259 22 K C -0.256 176.224 176.600 -0.199 0.000 1.001 22 K CA -0.577 55.628 56.287 -0.136 0.000 0.927 22 K CB 0.466 32.833 32.500 -0.222 0.000 0.969 22 K HN 0.545 nan 8.250 nan 0.000 0.490 23 Q N 1.193 120.851 119.800 -0.236 0.000 2.256 23 Q HA 0.202 4.543 4.340 0.001 0.000 0.257 23 Q C -1.704 174.054 176.000 -0.403 0.000 0.936 23 Q CA -0.418 55.248 55.803 -0.229 0.000 0.903 23 Q CB 0.746 29.413 28.738 -0.118 0.000 1.263 23 Q HN 0.532 nan 8.270 nan 0.000 0.440 24 W N 5.895 127.179 121.300 -0.026 0.000 2.238 24 W HA 0.310 4.970 4.660 0.000 0.000 0.321 24 W C -1.699 174.830 176.519 0.017 0.000 1.293 24 W CA -1.519 55.860 57.345 0.056 0.000 1.204 24 W CB 0.620 30.210 29.460 0.218 0.000 1.167 24 W HN 0.546 nan 8.180 nan 0.000 0.553 25 P HA 0.069 nan 4.420 nan 0.000 0.267 25 P C -0.663 176.725 177.300 0.146 0.000 1.205 25 P CA 0.442 63.600 63.100 0.096 0.000 0.765 25 P CB 0.990 32.732 31.700 0.069 0.000 0.828 26 L N 2.322 123.588 121.223 0.072 0.000 2.303 26 L HA 0.412 4.753 4.340 0.001 0.000 0.266 26 L C 1.388 178.254 176.870 -0.006 0.000 1.011 26 L CA -0.813 54.054 54.840 0.046 0.000 0.818 26 L CB 2.051 44.118 42.059 0.014 0.000 1.326 26 L HN 0.390 nan 8.230 nan 0.000 0.435 27 T N -2.771 111.762 114.554 -0.034 0.000 2.701 27 T HA 0.025 4.375 4.350 0.001 0.000 0.303 27 T C 0.780 175.446 174.700 -0.057 0.000 1.030 27 T CA -0.342 61.734 62.100 -0.040 0.000 1.010 27 T CB 0.695 69.543 68.868 -0.033 0.000 1.007 27 T HN 0.828 nan 8.240 nan 0.000 0.532 28 E N -0.805 119.370 120.200 -0.041 0.000 2.478 28 E HA 0.003 4.353 4.350 0.001 0.000 0.194 28 E C 1.704 178.259 176.600 -0.075 0.000 1.045 28 E CA 0.229 56.601 56.400 -0.047 0.000 0.868 28 E CB -0.000 29.687 29.700 -0.021 0.000 0.885 28 E HN 0.825 nan 8.360 nan 0.000 0.505 29 E N 1.235 121.383 120.200 -0.086 0.000 2.112 29 E HA -0.076 4.274 4.350 0.001 0.000 0.190 29 E C 1.507 177.875 176.600 -0.386 0.000 0.979 29 E CA 0.746 57.082 56.400 -0.107 0.000 0.814 29 E CB 0.266 29.986 29.700 0.033 0.000 0.762 29 E HN 0.231 nan 8.360 nan 0.000 0.460 30 K N -0.134 120.005 120.400 -0.436 0.000 2.323 30 K HA 0.099 4.419 4.320 0.001 0.000 0.197 30 K C 2.057 178.434 176.600 -0.372 0.000 1.043 30 K CA 0.210 56.114 56.287 -0.639 0.000 0.997 30 K CB 0.352 32.550 32.500 -0.503 0.000 0.807 30 K HN 0.145 nan 8.250 nan 0.000 0.497 31 I N 1.467 121.905 120.570 -0.220 0.000 2.163 31 I HA -0.249 3.922 4.170 0.001 0.000 0.240 31 I C 2.190 178.229 176.117 -0.131 0.000 1.081 31 I CA 1.190 62.412 61.300 -0.129 0.000 1.353 31 I CB -0.102 37.852 38.000 -0.076 0.000 1.054 31 I HN -0.008 nan 8.210 nan 0.000 0.407 32 K N 1.186 121.505 120.400 -0.135 0.000 2.020 32 K HA -0.162 4.159 4.320 0.001 0.000 0.212 32 K C 2.112 178.632 176.600 -0.132 0.000 1.050 32 K CA 1.844 58.071 56.287 -0.101 0.000 0.929 32 K CB -0.580 31.876 32.500 -0.074 0.000 0.714 32 K HN 0.335 nan 8.250 nan 0.000 0.443 33 A N 0.238 122.900 122.820 -0.265 0.000 2.019 33 A HA -0.118 4.203 4.320 0.001 0.000 0.219 33 A C 2.086 179.550 177.584 -0.199 0.000 1.164 33 A CA 1.252 53.105 52.037 -0.306 0.000 0.644 33 A CB -0.486 17.998 19.000 -0.860 0.000 0.805 33 A HN 0.226 nan 8.150 nan 0.000 0.449 34 L N -1.455 119.653 121.223 -0.192 0.000 2.049 34 L HA -0.075 4.266 4.340 0.001 0.000 0.203 34 L C 2.516 179.353 176.870 -0.055 0.000 1.074 34 L CA 0.939 55.711 54.840 -0.113 0.000 0.749 34 L CB -0.654 41.349 42.059 -0.094 0.000 0.907 34 L HN 0.265 nan 8.230 nan 0.000 0.439 35 V N 0.492 120.388 119.914 -0.029 0.000 2.317 35 V HA -0.370 3.751 4.120 0.001 0.000 0.251 35 V C 2.472 178.566 176.094 -0.000 0.000 1.065 35 V CA 2.367 64.676 62.300 0.016 0.000 1.049 35 V CB -0.161 31.669 31.823 0.011 0.000 0.651 35 V HN 0.523 nan 8.190 nan 0.000 0.450 36 E N -0.332 119.855 120.200 -0.021 0.000 2.006 36 E HA -0.195 4.155 4.350 0.001 0.000 0.192 36 E C 2.092 178.678 176.600 -0.025 0.000 0.993 36 E CA 1.787 58.180 56.400 -0.012 0.000 0.808 36 E CB -0.313 29.385 29.700 -0.003 0.000 0.764 36 E HN 0.618 nan 8.360 nan 0.000 0.449 37 I N 0.712 121.263 120.570 -0.032 0.000 2.479 37 I HA -0.361 3.809 4.170 0.001 0.000 0.258 37 I C 2.114 178.177 176.117 -0.089 0.000 1.165 37 I CA 0.665 61.943 61.300 -0.037 0.000 1.422 37 I CB -0.148 37.836 38.000 -0.027 0.000 1.087 37 I HN 0.372 nan 8.210 nan 0.000 0.441 38 C N -0.420 118.809 119.300 -0.119 0.000 2.611 38 C HA 0.008 4.469 4.460 0.001 0.000 0.282 38 C C 2.878 177.753 174.990 -0.192 0.000 1.321 38 C CA 1.024 59.888 59.018 -0.257 0.000 1.747 38 C CB -0.747 26.778 27.740 -0.358 0.000 2.124 38 C HN 0.593 nan 8.230 nan 0.000 0.531 39 T N -1.796 112.728 114.554 -0.050 0.000 3.043 39 T HA -0.042 4.309 4.350 0.001 0.000 0.263 39 T C 1.568 176.256 174.700 -0.020 0.000 1.094 39 T CA 0.989 63.095 62.100 0.010 0.000 1.127 39 T CB -0.109 68.782 68.868 0.038 0.000 0.905 39 T HN 0.319 nan 8.240 nan 0.000 0.490 40 E N 1.615 121.790 120.200 -0.042 0.000 2.051 40 E HA 0.122 4.472 4.350 0.001 0.000 0.189 40 E C 2.105 178.663 176.600 -0.070 0.000 0.979 40 E CA 0.820 57.197 56.400 -0.038 0.000 0.803 40 E CB -0.305 29.379 29.700 -0.026 0.000 0.761 40 E HN 0.546 nan 8.360 nan 0.000 0.451 41 M N 0.505 120.030 119.600 -0.124 0.000 2.358 41 M HA -0.150 4.330 4.480 0.001 0.000 0.264 41 M C 2.075 178.273 176.300 -0.170 0.000 1.064 41 M CA 1.306 56.491 55.300 -0.192 0.000 1.093 41 M CB -0.210 32.219 32.600 -0.285 0.000 1.401 41 M HN 0.102 nan 8.290 nan 0.000 0.440 42 E N 1.017 121.149 120.200 -0.114 0.000 2.190 42 E HA -0.107 4.243 4.350 0.001 0.000 0.191 42 E C 1.574 178.158 176.600 -0.027 0.000 0.978 42 E CA 0.617 56.987 56.400 -0.051 0.000 0.839 42 E CB 0.058 29.785 29.700 0.045 0.000 0.787 42 E HN 0.408 nan 8.360 nan 0.000 0.473 43 K N 0.668 121.054 120.400 -0.023 0.000 2.283 43 K HA -0.067 4.254 4.320 0.001 0.000 0.202 43 K C 1.369 177.959 176.600 -0.017 0.000 1.048 43 K CA 1.342 57.622 56.287 -0.013 0.000 0.948 43 K CB 0.085 32.581 32.500 -0.007 0.000 0.742 43 K HN 0.274 nan 8.250 nan 0.000 0.458 44 E N 0.070 120.250 120.200 -0.034 0.000 2.476 44 E HA 0.059 4.409 4.350 0.001 0.000 0.191 44 E C 0.745 177.325 176.600 -0.033 0.000 1.064 44 E CA 0.187 56.569 56.400 -0.030 0.000 0.866 44 E CB 0.290 29.964 29.700 -0.045 0.000 0.952 44 E HN 0.380 nan 8.360 nan 0.000 0.492 45 G N 2.470 111.248 108.800 -0.037 0.000 2.212 45 G HA2 -0.381 3.579 3.960 0.001 0.000 0.267 45 G HA3 -0.381 3.579 3.960 0.001 0.000 0.267 45 G C 0.916 175.786 174.900 -0.050 0.000 1.002 45 G CA 1.010 46.092 45.100 -0.030 0.000 0.729 45 G HN 0.284 nan 8.290 nan 0.000 0.517 46 K N -0.578 119.753 120.400 -0.115 0.000 2.148 46 K HA 0.151 4.472 4.320 0.001 0.000 0.204 46 K C 1.663 178.132 176.600 -0.219 0.000 1.050 46 K CA 1.458 57.639 56.287 -0.175 0.000 0.942 46 K CB 0.103 32.378 32.500 -0.375 0.000 0.724 46 K HN 0.832 nan 8.250 nan 0.000 0.446 47 I N -2.773 117.650 120.570 -0.246 0.000 3.239 47 I HA 0.380 4.550 4.170 0.001 0.000 0.314 47 I C -1.347 174.734 176.117 -0.060 0.000 1.126 47 I CA -0.977 60.171 61.300 -0.253 0.000 0.973 47 I CB 2.606 40.348 38.000 -0.429 0.000 1.252 47 I HN -0.228 nan 8.210 nan 0.000 0.463 48 S N 1.140 116.844 115.700 0.006 0.000 2.546 48 S HA 0.443 4.913 4.470 0.001 0.000 0.272 48 S C -0.909 173.671 174.600 -0.035 0.000 1.140 48 S CA -1.149 57.063 58.200 0.021 0.000 0.920 48 S CB 1.611 64.798 63.200 -0.023 0.000 1.083 48 S HN 0.630 nan 8.310 nan 0.000 0.476 49 K N 1.718 122.025 120.400 -0.156 0.000 2.397 49 K HA 0.319 4.639 4.320 0.001 0.000 0.265 49 K C 0.038 176.493 176.600 -0.242 0.000 0.982 49 K CA 0.127 56.180 56.287 -0.390 0.000 0.931 49 K CB 0.091 32.350 32.500 -0.402 0.000 0.943 49 K HN 0.752 nan 8.250 nan 0.000 0.501 50 I N -3.024 117.389 120.570 -0.262 0.000 2.865 50 I HA 0.520 4.690 4.170 0.001 0.000 0.302 50 I C 0.017 176.031 176.117 -0.172 0.000 1.140 50 I CA -1.190 60.003 61.300 -0.178 0.000 1.021 50 I CB 2.130 40.040 38.000 -0.150 0.000 1.233 50 I HN 0.530 nan 8.210 nan 0.000 0.427 51 G N 2.155 110.875 108.800 -0.133 0.000 2.477 51 G HA2 0.513 4.474 3.960 0.001 0.000 0.304 51 G HA3 0.513 4.474 3.960 0.001 0.000 0.304 51 G C -1.621 173.209 174.900 -0.117 0.000 1.175 51 G CA -1.507 43.521 45.100 -0.120 0.000 0.907 51 G HN 0.610 nan 8.290 nan 0.000 0.509 52 P HA -0.167 nan 4.420 nan 0.000 0.222 52 P C 1.337 178.571 177.300 -0.109 0.000 1.142 52 P CA 1.093 64.130 63.100 -0.106 0.000 0.788 52 P CB 0.179 31.824 31.700 -0.092 0.000 0.767 53 E N -0.436 119.702 120.200 -0.103 0.000 2.455 53 E HA -0.148 4.202 4.350 0.001 0.000 0.202 53 E C 0.308 176.831 176.600 -0.128 0.000 1.045 53 E CA 0.602 56.939 56.400 -0.104 0.000 0.872 53 E CB -0.891 28.758 29.700 -0.086 0.000 0.792 53 E HN 0.226 nan 8.360 nan 0.000 0.542 54 N N 1.821 120.440 118.700 -0.135 0.000 2.422 54 N HA 0.141 4.881 4.740 0.001 0.000 0.266 54 N C -1.924 173.455 175.510 -0.219 0.000 1.007 54 N CA -1.481 51.475 53.050 -0.157 0.000 0.941 54 N CB 1.787 40.217 38.487 -0.096 0.000 1.115 54 N HN -0.011 nan 8.380 nan 0.000 0.492 55 P HA 0.139 nan 4.420 nan 0.000 0.267 55 P C -0.706 176.339 177.300 -0.425 0.000 1.289 55 P CA 0.255 63.087 63.100 -0.447 0.000 0.866 55 P CB 0.313 31.649 31.700 -0.606 0.000 1.309 56 Y N 0.677 120.935 120.300 -0.070 0.000 2.453 56 Y HA 0.605 5.155 4.550 0.000 0.000 0.326 56 Y C 0.701 176.597 175.900 -0.006 0.000 1.186 56 Y CA -0.834 57.248 58.100 -0.030 0.000 1.200 56 Y CB 0.839 39.270 38.460 -0.048 0.000 1.247 56 Y HN -0.200 nan 8.280 nan 0.000 0.482 57 N N -0.741 118.093 118.700 0.223 0.000 2.635 57 N HA 0.280 5.021 4.740 0.001 0.000 0.260 57 N C -1.800 173.802 175.510 0.153 0.000 1.078 57 N CA -0.299 52.841 53.050 0.150 0.000 1.012 57 N CB 1.690 40.220 38.487 0.072 0.000 1.677 57 N HN 0.595 nan 8.380 nan 0.000 0.514 58 T N 2.776 117.423 114.554 0.155 0.000 2.856 58 T HA 0.649 4.999 4.350 0.001 0.000 0.283 58 T C -2.634 172.069 174.700 0.006 0.000 1.008 58 T CA -1.481 60.672 62.100 0.089 0.000 0.997 58 T CB 1.522 70.435 68.868 0.076 0.000 0.992 58 T HN 0.281 nan 8.240 nan 0.000 0.454 59 P HA 0.445 nan 4.420 nan 0.000 0.274 59 P C -1.154 175.958 177.300 -0.315 0.000 1.246 59 P CA -0.439 62.579 63.100 -0.136 0.000 0.795 59 P CB 0.785 32.465 31.700 -0.033 0.000 1.006 60 V N 1.837 121.464 119.914 -0.478 0.000 3.040 60 V HA 0.725 4.845 4.120 0.001 0.000 0.312 60 V C -1.328 174.362 176.094 -0.674 0.000 1.115 60 V CA -0.541 61.477 62.300 -0.470 0.000 0.998 60 V CB 1.346 32.985 31.823 -0.305 0.000 1.042 60 V HN 0.414 nan 8.190 nan 0.000 0.433 61 F N 1.647 121.564 119.950 -0.054 0.000 2.831 61 F HA 0.830 5.357 4.527 0.000 0.000 0.318 61 F C -0.109 175.617 175.800 -0.123 0.000 1.174 61 F CA -0.427 57.525 58.000 -0.080 0.000 0.918 61 F CB 1.813 40.747 39.000 -0.110 0.000 1.364 61 F HN 0.616 nan 8.300 nan 0.000 0.475 62 A N 1.775 124.637 122.820 0.070 0.000 2.332 62 A HA 0.757 5.078 4.320 0.001 0.000 0.300 62 A C -0.677 176.965 177.584 0.097 0.000 1.153 62 A CA -0.557 51.472 52.037 -0.012 0.000 0.764 62 A CB 0.546 19.368 19.000 -0.296 0.000 1.174 62 A HN 0.776 nan 8.150 nan 0.000 0.467 63 I N -0.326 120.337 120.570 0.155 0.000 3.640 63 I HA 0.633 4.803 4.170 0.001 0.000 0.288 63 I C 0.236 176.499 176.117 0.244 0.000 1.248 63 I CA -0.884 60.507 61.300 0.151 0.000 0.911 63 I CB 1.434 39.496 38.000 0.104 0.000 1.533 63 I HN 0.514 nan 8.210 nan 0.000 0.686 64 K N 1.354 121.789 120.400 0.057 0.000 3.084 64 K HA 0.275 4.595 4.320 0.001 0.000 0.210 64 K C -0.871 175.676 176.600 -0.088 0.000 1.137 64 K CA -0.448 55.798 56.287 -0.068 0.000 1.010 64 K CB -0.010 32.317 32.500 -0.289 0.000 0.806 64 K HN 0.615 nan 8.250 nan 0.000 0.460 65 K N 1.759 122.137 120.400 -0.036 0.000 5.728 65 K HA -0.192 4.128 4.320 0.001 0.000 0.427 65 K C -0.867 175.684 176.600 -0.081 0.000 1.056 65 K CA 0.373 56.630 56.287 -0.051 0.000 1.274 65 K CB -0.444 32.030 32.500 -0.042 0.000 1.831 65 K HN 0.283 nan 8.250 nan 0.000 0.384 66 K N 2.524 122.865 120.400 -0.100 0.000 2.401 66 K HA -0.240 4.080 4.320 0.001 0.000 0.267 66 K C 0.326 176.875 176.600 -0.086 0.000 1.140 66 K CA 1.602 57.822 56.287 -0.111 0.000 1.199 66 K CB 0.062 32.475 32.500 -0.145 0.000 0.822 66 K HN 0.647 nan 8.250 nan 0.000 0.488 67 D N 0.693 121.047 120.400 -0.078 0.000 3.260 67 D HA -0.227 4.413 4.640 0.001 0.000 0.205 67 D C 0.177 176.439 176.300 -0.064 0.000 1.300 67 D CA 2.234 56.197 54.000 -0.061 0.000 2.160 67 D CB -1.028 39.742 40.800 -0.050 0.000 1.288 67 D HN 0.595 nan 8.370 nan 0.000 0.490 68 S N 0.635 116.297 115.700 -0.064 0.000 3.456 68 S HA 0.242 4.712 4.470 0.001 0.000 0.229 68 S C 0.267 174.820 174.600 -0.078 0.000 1.416 68 S CA 0.768 58.931 58.200 -0.061 0.000 1.197 68 S CB -0.425 62.747 63.200 -0.048 0.000 1.201 68 S HN 0.454 nan 8.310 nan 0.000 0.479 69 T N 2.306 116.798 114.554 -0.104 0.000 2.576 69 T HA 0.009 4.360 4.350 0.001 0.000 0.251 69 T C -0.237 174.358 174.700 -0.174 0.000 1.050 69 T CA 0.448 62.454 62.100 -0.158 0.000 1.286 69 T CB -1.007 67.751 68.868 -0.185 0.000 1.028 69 T HN 0.884 nan 8.240 nan 0.000 0.509 70 K N 4.504 124.799 120.400 -0.176 0.000 2.589 70 K HA 0.121 4.442 4.320 0.001 0.000 0.298 70 K C -0.959 175.639 176.600 -0.002 0.000 1.136 70 K CA -1.018 55.190 56.287 -0.131 0.000 1.020 70 K CB -0.271 32.202 32.500 -0.045 0.000 1.345 70 K HN 0.535 nan 8.250 nan 0.000 0.478 71 W N 3.889 125.177 121.300 -0.021 0.000 2.560 71 W HA -0.183 4.477 4.660 -0.000 0.000 0.338 71 W C 0.799 177.312 176.519 -0.010 0.000 0.931 71 W CA -0.003 57.330 57.345 -0.020 0.000 1.018 71 W CB 0.256 29.706 29.460 -0.017 0.000 1.056 71 W HN 0.485 nan 8.180 nan 0.000 0.560 72 R N 3.846 124.525 120.500 0.299 0.000 2.740 72 R HA 0.331 4.671 4.340 0.001 0.000 0.282 72 R C -0.363 176.013 176.300 0.127 0.000 0.969 72 R CA -1.009 55.191 56.100 0.168 0.000 0.918 72 R CB 1.319 31.689 30.300 0.115 0.000 1.175 72 R HN 0.294 nan 8.270 nan 0.000 0.464 73 K N 3.148 123.598 120.400 0.082 0.000 2.249 73 K HA 0.200 4.520 4.320 0.001 0.000 0.280 73 K C -0.997 175.635 176.600 0.054 0.000 1.033 73 K CA -0.457 55.846 56.287 0.028 0.000 0.946 73 K CB 0.838 33.331 32.500 -0.012 0.000 1.005 73 K HN 0.376 nan 8.250 nan 0.000 0.469 74 L N 4.564 125.819 121.223 0.054 0.000 2.406 74 L HA 0.273 4.613 4.340 0.001 0.000 0.270 74 L C -1.279 175.620 176.870 0.048 0.000 0.982 74 L CA -0.622 54.277 54.840 0.099 0.000 0.843 74 L CB 1.670 43.825 42.059 0.160 0.000 1.225 74 L HN 0.214 nan 8.230 nan 0.000 0.412 75 V N 3.299 123.162 119.914 -0.085 0.000 2.465 75 V HA 0.286 4.406 4.120 0.001 0.000 0.279 75 V C -0.142 175.791 176.094 -0.268 0.000 1.045 75 V CA -0.514 61.578 62.300 -0.347 0.000 0.938 75 V CB 1.346 32.730 31.823 -0.731 0.000 0.986 75 V HN 0.719 nan 8.190 nan 0.000 0.467 76 D N 3.760 124.053 120.400 -0.178 0.000 2.453 76 D HA 0.230 4.870 4.640 0.001 0.000 0.223 76 D C -0.034 176.222 176.300 -0.074 0.000 1.183 76 D CA -0.289 53.720 54.000 0.016 0.000 0.933 76 D CB 0.189 41.135 40.800 0.244 0.000 1.038 76 D HN 0.362 nan 8.370 nan 0.000 0.513 77 F N 2.259 122.281 119.950 0.120 0.000 2.713 77 F HA 0.267 4.794 4.527 0.001 0.000 0.294 77 F C 1.902 177.763 175.800 0.102 0.000 1.152 77 F CA -0.342 57.725 58.000 0.113 0.000 1.385 77 F CB 0.063 39.148 39.000 0.141 0.000 0.981 77 F HN 0.257 nan 8.300 nan 0.000 0.514 78 R N -0.193 120.428 120.500 0.202 0.000 2.096 78 R HA -0.140 4.201 4.340 0.001 0.000 0.235 78 R C 1.854 178.241 176.300 0.145 0.000 1.127 78 R CA 1.146 57.316 56.100 0.117 0.000 0.968 78 R CB -0.151 30.144 30.300 -0.008 0.000 0.861 78 R HN 0.216 nan 8.270 nan 0.000 0.440 79 E N 1.062 121.359 120.200 0.163 0.000 2.006 79 E HA -0.145 4.205 4.350 0.001 0.000 0.192 79 E C 1.986 178.704 176.600 0.197 0.000 0.993 79 E CA 0.801 57.296 56.400 0.158 0.000 0.808 79 E CB -0.396 29.398 29.700 0.157 0.000 0.764 79 E HN 0.080 nan 8.360 nan 0.000 0.449 80 L N 2.226 123.594 121.223 0.242 0.000 2.081 80 L HA -0.205 4.136 4.340 0.001 0.000 0.212 80 L C 1.523 178.568 176.870 0.292 0.000 1.080 80 L CA 1.753 56.722 54.840 0.215 0.000 0.754 80 L CB -0.856 41.322 42.059 0.198 0.000 0.893 80 L HN 0.046 nan 8.230 nan 0.000 0.433 81 N N -0.362 118.538 118.700 0.333 0.000 2.381 81 N HA -0.138 4.603 4.740 0.001 0.000 0.182 81 N C 1.682 177.488 175.510 0.493 0.000 1.025 81 N CA 1.007 54.268 53.050 0.352 0.000 0.888 81 N CB -0.085 38.457 38.487 0.091 0.000 0.965 81 N HN 0.505 nan 8.380 nan 0.000 0.438 82 K N 0.312 120.917 120.400 0.342 0.000 2.098 82 K HA 0.139 4.459 4.320 0.001 0.000 0.203 82 K C 1.637 178.391 176.600 0.257 0.000 1.051 82 K CA 0.479 56.950 56.287 0.306 0.000 0.957 82 K CB 0.164 32.773 32.500 0.182 0.000 0.738 82 K HN 0.144 nan 8.250 nan 0.000 0.447 83 R N 0.210 120.836 120.500 0.210 0.000 2.235 83 R HA -0.009 4.332 4.340 0.001 0.000 0.213 83 R C 1.290 177.691 176.300 0.169 0.000 1.059 83 R CA 0.954 57.131 56.100 0.130 0.000 0.997 83 R CB -0.210 30.124 30.300 0.056 0.000 0.884 83 R HN 0.065 nan 8.270 nan 0.000 0.462 84 T N 0.994 115.756 114.554 0.347 0.000 3.040 84 T HA -0.035 4.315 4.350 0.001 0.000 0.250 84 T C 1.488 176.395 174.700 0.344 0.000 1.058 84 T CA 0.140 62.518 62.100 0.464 0.000 0.988 84 T CB 0.299 69.635 68.868 0.780 0.000 0.993 84 T HN 0.233 nan 8.240 nan 0.000 0.519 85 Q N 2.132 122.047 119.800 0.191 0.000 2.344 85 Q HA -0.241 4.099 4.340 0.001 0.000 0.212 85 Q C 1.622 177.128 176.000 -0.823 0.000 0.991 85 Q CA 2.344 57.751 55.803 -0.661 0.000 0.897 85 Q CB -0.231 28.360 28.738 -0.245 0.000 0.915 85 Q HN 0.639 nan 8.270 nan 0.000 0.438 86 D N -1.023 119.182 120.400 -0.326 0.000 2.120 86 D HA -0.187 4.454 4.640 0.001 0.000 0.202 86 D C 1.556 177.733 176.300 -0.205 0.000 0.972 86 D CA 1.116 54.979 54.000 -0.228 0.000 0.837 86 D CB -0.498 40.255 40.800 -0.077 0.000 0.989 86 D HN 0.369 nan 8.370 nan 0.000 0.469 87 F N 1.247 121.080 119.950 -0.196 0.000 2.026 87 F HA -0.139 4.388 4.527 0.001 0.000 0.296 87 F C 2.190 177.912 175.800 -0.131 0.000 1.133 87 F CA 2.550 60.486 58.000 -0.107 0.000 1.188 87 F CB -0.557 38.447 39.000 0.008 0.000 0.968 87 F HN 0.247 nan 8.300 nan 0.000 0.476 88 W N 0.700 121.985 121.300 -0.025 0.000 2.418 88 W HA -0.103 4.557 4.660 0.001 0.000 0.319 88 W C 2.052 178.469 176.519 -0.170 0.000 1.183 88 W CA 1.200 58.430 57.345 -0.192 0.000 1.327 88 W CB -1.633 27.699 29.460 -0.213 0.000 1.163 88 W HN 0.210 nan 8.180 nan 0.000 0.479 89 E N 0.933 120.715 120.200 -0.698 0.000 2.110 89 E HA -0.170 4.181 4.350 0.001 0.000 0.193 89 E C 2.099 178.521 176.600 -0.296 0.000 0.988 89 E CA 2.320 58.414 56.400 -0.509 0.000 0.804 89 E CB 0.154 29.273 29.700 -0.968 0.000 0.745 89 E HN 0.179 nan 8.360 nan 0.000 0.458 90 V N -0.109 119.600 119.914 -0.342 0.000 2.502 90 V HA -0.096 4.024 4.120 0.001 0.000 0.234 90 V C 2.295 178.274 176.094 -0.191 0.000 1.072 90 V CA 0.847 63.013 62.300 -0.225 0.000 1.094 90 V CB -0.968 30.729 31.823 -0.209 0.000 0.761 90 V HN 0.118 nan 8.190 nan 0.000 0.489 91 Q N 0.598 120.256 119.800 -0.236 0.000 1.975 91 Q HA -0.048 4.293 4.340 0.001 0.000 0.205 91 Q C 1.648 177.501 176.000 -0.246 0.000 0.990 91 Q CA 1.628 57.287 55.803 -0.239 0.000 0.845 91 Q CB -0.182 28.354 28.738 -0.337 0.000 0.913 91 Q HN 0.519 nan 8.270 nan 0.000 0.420 92 L N 0.714 121.731 121.223 -0.343 0.000 2.848 92 L HA 0.338 4.679 4.340 0.001 0.000 0.240 92 L C 0.641 177.421 176.870 -0.150 0.000 1.232 92 L CA -0.708 53.968 54.840 -0.272 0.000 1.031 92 L CB -0.282 41.538 42.059 -0.397 0.000 1.338 92 L HN 0.063 nan 8.230 nan 0.000 0.509 93 G N 1.361 110.099 108.800 -0.104 0.000 2.265 93 G HA2 0.249 4.210 3.960 0.001 0.000 0.240 93 G HA3 0.249 4.210 3.960 0.001 0.000 0.240 93 G C -0.271 174.645 174.900 0.027 0.000 1.270 93 G CA -0.122 44.970 45.100 -0.013 0.000 0.901 93 G HN 0.150 nan 8.290 nan 0.000 0.507 94 I N 4.075 124.694 120.570 0.081 0.000 2.312 94 I HA 0.283 4.453 4.170 0.001 0.000 0.290 94 I C -1.884 174.370 176.117 0.230 0.000 1.008 94 I CA -2.383 58.987 61.300 0.117 0.000 1.226 94 I CB 1.308 39.355 38.000 0.079 0.000 1.371 94 I HN 0.229 nan 8.210 nan 0.000 0.468 95 P HA 0.120 nan 4.420 nan 0.000 0.271 95 P C -0.725 176.706 177.300 0.219 0.000 1.220 95 P CA -0.110 63.101 63.100 0.186 0.000 0.768 95 P CB 0.263 32.025 31.700 0.104 0.000 0.848 96 H N 4.585 123.651 119.070 -0.007 0.000 2.782 96 H HA 0.218 4.774 4.556 0.000 0.000 0.285 96 H C -1.756 173.429 175.328 -0.238 0.000 1.093 96 H CA -1.774 54.087 56.048 -0.310 0.000 1.410 96 H CB 0.090 29.652 29.762 -0.333 0.000 1.439 96 H HN 0.278 nan 8.280 nan 0.000 0.469 97 P HA 0.044 nan 4.420 nan 0.000 0.267 97 P C 0.142 177.161 177.300 -0.469 0.000 1.209 97 P CA -0.112 62.737 63.100 -0.419 0.000 0.763 97 P CB 1.355 32.860 31.700 -0.326 0.000 0.816 98 A N 3.885 126.587 122.820 -0.196 0.000 2.067 98 A HA 0.008 4.329 4.320 0.001 0.000 0.219 98 A C 2.186 179.699 177.584 -0.117 0.000 1.158 98 A CA 1.606 53.580 52.037 -0.104 0.000 0.661 98 A CB -1.094 17.884 19.000 -0.037 0.000 0.801 98 A HN 0.622 nan 8.150 nan 0.000 0.452 99 G N -0.425 108.297 108.800 -0.130 0.000 2.430 99 G HA2 -0.013 3.947 3.960 0.001 0.000 0.216 99 G HA3 -0.013 3.947 3.960 0.001 0.000 0.216 99 G C 1.362 176.197 174.900 -0.109 0.000 1.146 99 G CA 0.854 45.898 45.100 -0.094 0.000 0.793 99 G HN 0.392 nan 8.290 nan 0.000 0.537 100 L N 1.784 122.910 121.223 -0.162 0.000 2.051 100 L HA -0.153 4.187 4.340 0.001 0.000 0.214 100 L C 2.761 179.555 176.870 -0.127 0.000 1.076 100 L CA 2.473 57.233 54.840 -0.134 0.000 0.758 100 L CB -0.500 41.442 42.059 -0.195 0.000 0.890 100 L HN 0.455 nan 8.230 nan 0.000 0.433 101 K N -1.366 118.960 120.400 -0.124 0.000 2.519 101 K HA -0.144 4.177 4.320 0.001 0.000 0.196 101 K C 1.708 178.221 176.600 -0.146 0.000 1.041 101 K CA 1.426 57.638 56.287 -0.125 0.000 0.954 101 K CB -0.251 32.195 32.500 -0.090 0.000 0.774 101 K HN 0.253 nan 8.250 nan 0.000 0.480 102 K N 0.525 120.854 120.400 -0.119 0.000 2.360 102 K HA 0.135 4.455 4.320 0.001 0.000 0.196 102 K C -0.235 176.302 176.600 -0.106 0.000 1.049 102 K CA -0.234 55.993 56.287 -0.099 0.000 1.049 102 K CB 0.456 32.919 32.500 -0.061 0.000 0.881 102 K HN -0.067 nan 8.250 nan 0.000 0.542 103 K N 1.323 121.654 120.400 -0.116 0.000 2.518 103 K HA -0.076 4.244 4.320 0.001 0.000 0.276 103 K C 0.656 177.187 176.600 -0.115 0.000 0.974 103 K CA 0.522 56.752 56.287 -0.096 0.000 0.986 103 K CB 0.466 32.915 32.500 -0.085 0.000 0.901 103 K HN -0.106 nan 8.250 nan 0.000 0.497 104 K N 0.291 120.646 120.400 -0.076 0.000 2.283 104 K HA -0.050 4.270 4.320 0.001 0.000 0.202 104 K C 0.009 176.594 176.600 -0.026 0.000 1.048 104 K CA 0.867 57.120 56.287 -0.057 0.000 0.948 104 K CB 0.171 32.648 32.500 -0.038 0.000 0.742 104 K HN 0.671 nan 8.250 nan 0.000 0.458 105 S N -1.251 114.358 115.700 -0.151 0.000 2.535 105 S HA 0.481 4.952 4.470 0.001 0.000 0.272 105 S C -1.191 173.180 174.600 -0.382 0.000 1.149 105 S CA -1.106 56.892 58.200 -0.337 0.000 0.888 105 S CB 1.827 64.807 63.200 -0.366 0.000 1.110 105 S HN -0.193 nan 8.310 nan 0.000 0.463 106 V N 2.428 122.149 119.914 -0.322 0.000 2.638 106 V HA 0.726 4.847 4.120 0.001 0.000 0.306 106 V C -0.513 175.569 176.094 -0.020 0.000 1.052 106 V CA -0.343 61.915 62.300 -0.070 0.000 0.885 106 V CB 2.291 34.112 31.823 -0.004 0.000 0.999 106 V HN 1.078 nan 8.190 nan 0.000 0.424 107 T N 3.804 118.416 114.554 0.098 0.000 2.824 107 T HA 0.580 4.930 4.350 0.001 0.000 0.282 107 T C -0.571 174.065 174.700 -0.107 0.000 0.993 107 T CA -0.447 61.673 62.100 0.034 0.000 0.967 107 T CB 1.752 70.700 68.868 0.132 0.000 0.960 107 T HN 0.334 nan 8.240 nan 0.000 0.441 108 V N 4.682 124.483 119.914 -0.188 0.000 2.370 108 V HA 0.500 4.620 4.120 0.001 0.000 0.279 108 V C -0.793 175.160 176.094 -0.235 0.000 1.029 108 V CA -0.805 61.268 62.300 -0.379 0.000 0.870 108 V CB 1.052 32.658 31.823 -0.361 0.000 0.984 108 V HN 0.570 nan 8.190 nan 0.000 0.451 109 L N 3.946 125.029 121.223 -0.234 0.000 2.385 109 L HA 0.537 4.878 4.340 0.001 0.000 0.273 109 L C -0.344 176.441 176.870 -0.143 0.000 0.990 109 L CA -0.532 54.215 54.840 -0.155 0.000 0.821 109 L CB 1.714 43.691 42.059 -0.135 0.000 1.279 109 L HN 0.713 nan 8.230 nan 0.000 0.412 110 D N 1.841 122.167 120.400 -0.123 0.000 2.317 110 D HA 0.308 4.948 4.640 0.001 0.000 0.252 110 D C 0.438 176.650 176.300 -0.147 0.000 1.174 110 D CA -0.118 53.811 54.000 -0.118 0.000 0.866 110 D CB 1.246 41.980 40.800 -0.110 0.000 1.127 110 D HN 0.291 nan 8.370 nan 0.000 0.467 111 V N 1.817 121.622 119.914 -0.182 0.000 3.070 111 V HA 0.493 4.614 4.120 0.001 0.000 0.345 111 V C 1.327 177.092 176.094 -0.549 0.000 1.403 111 V CA 0.205 62.345 62.300 -0.267 0.000 1.155 111 V CB 0.421 32.131 31.823 -0.189 0.000 1.140 111 V HN 0.496 nan 8.190 nan 0.000 0.505 112 G N 0.284 108.777 108.800 -0.512 0.000 2.650 112 G HA2 -0.085 3.876 3.960 0.001 0.000 0.214 112 G HA3 -0.085 3.876 3.960 0.001 0.000 0.214 112 G C 0.770 175.105 174.900 -0.941 0.000 1.136 112 G CA 0.839 45.492 45.100 -0.744 0.000 0.789 112 G HN 0.560 nan 8.290 nan 0.000 0.536 113 D N 0.094 120.081 120.400 -0.688 0.000 2.355 113 D HA 0.243 4.883 4.640 0.001 0.000 0.218 113 D C 2.539 178.545 176.300 -0.490 0.000 1.004 113 D CA 0.650 54.280 54.000 -0.617 0.000 0.880 113 D CB 0.201 40.846 40.800 -0.257 0.000 0.911 113 D HN 0.262 nan 8.370 nan 0.000 0.528 114 A N 0.098 122.535 122.820 -0.639 0.000 1.855 114 A HA -0.208 4.113 4.320 0.001 0.000 0.215 114 A C 1.496 178.715 177.584 -0.607 0.000 1.191 114 A CA 1.074 52.804 52.037 -0.512 0.000 0.613 114 A CB -0.956 17.622 19.000 -0.702 0.000 0.829 114 A HN 0.222 nan 8.150 nan 0.000 0.442 115 Y N -0.442 119.471 120.300 -0.646 0.000 2.069 115 Y HA -0.264 4.287 4.550 0.000 0.000 0.278 115 Y C 2.215 178.120 175.900 0.008 0.000 1.175 115 Y CA 0.731 58.571 58.100 -0.433 0.000 1.134 115 Y CB -1.660 36.599 38.460 -0.336 0.000 0.965 115 Y HN 0.306 nan 8.280 nan 0.000 0.498 116 F N 0.488 120.497 119.950 0.099 0.000 2.135 116 F HA -0.354 4.174 4.527 0.001 0.000 0.300 116 F C 2.755 178.640 175.800 0.143 0.000 1.074 116 F CA 1.205 59.290 58.000 0.141 0.000 1.262 116 F CB -1.794 37.270 39.000 0.106 0.000 1.013 116 F HN 0.220 nan 8.300 nan 0.000 0.489 117 S N 0.022 115.918 115.700 0.326 0.000 2.349 117 S HA -0.126 4.344 4.470 0.001 0.000 0.216 117 S C 1.295 176.058 174.600 0.271 0.000 1.033 117 S CA 0.832 59.193 58.200 0.269 0.000 1.021 117 S CB -1.045 62.317 63.200 0.271 0.000 0.968 117 S HN 0.002 nan 8.310 nan 0.000 0.426 118 V N 4.437 124.544 119.914 0.322 0.000 3.032 118 V HA 0.274 4.394 4.120 0.001 0.000 0.307 118 V C -1.945 174.307 176.094 0.263 0.000 1.097 118 V CA -0.865 61.624 62.300 0.315 0.000 1.191 118 V CB 0.845 32.924 31.823 0.426 0.000 0.964 118 V HN 0.614 nan 8.190 nan 0.000 0.494 119 P HA 0.396 nan 4.420 nan 0.000 0.292 119 P C -1.551 175.864 177.300 0.190 0.000 1.313 119 P CA -0.948 62.271 63.100 0.199 0.000 0.965 119 P CB 2.222 34.017 31.700 0.158 0.000 1.303 120 L N 1.524 122.860 121.223 0.188 0.000 2.307 120 L HA 0.390 4.730 4.340 0.001 0.000 0.282 120 L C 0.040 176.999 176.870 0.148 0.000 1.051 120 L CA -0.244 54.702 54.840 0.177 0.000 0.804 120 L CB 0.110 42.291 42.059 0.204 0.000 1.197 120 L HN 0.310 nan 8.230 nan 0.000 0.431 121 D N 2.528 123.011 120.400 0.138 0.000 2.662 121 D HA -0.099 4.542 4.640 0.001 0.000 0.237 121 D C 0.873 177.253 176.300 0.133 0.000 1.154 121 D CA 0.532 54.611 54.000 0.131 0.000 0.861 121 D CB 0.864 41.744 40.800 0.133 0.000 1.146 121 D HN 0.620 nan 8.370 nan 0.000 0.518 122 E N 2.449 122.709 120.200 0.100 0.000 2.147 122 E HA -0.205 4.145 4.350 0.001 0.000 0.199 122 E C 1.192 177.828 176.600 0.061 0.000 1.005 122 E CA 1.473 57.917 56.400 0.074 0.000 0.810 122 E CB -0.000 29.733 29.700 0.056 0.000 0.736 122 E HN 0.567 nan 8.360 nan 0.000 0.460 123 D N -0.853 119.595 120.400 0.081 0.000 2.234 123 D HA -0.059 4.581 4.640 0.001 0.000 0.205 123 D C 1.462 177.809 176.300 0.078 0.000 0.962 123 D CA 0.450 54.490 54.000 0.068 0.000 0.855 123 D CB -0.173 40.675 40.800 0.080 0.000 0.951 123 D HN 0.174 nan 8.370 nan 0.000 0.500 124 F N 2.340 122.293 119.950 0.006 0.000 2.367 124 F HA -0.012 4.515 4.527 0.001 0.000 0.298 124 F C 2.078 177.847 175.800 -0.052 0.000 1.094 124 F CA 0.479 58.481 58.000 0.003 0.000 1.409 124 F CB 0.130 39.052 39.000 -0.129 0.000 1.064 124 F HN -0.152 nan 8.300 nan 0.000 0.528 125 R N 1.112 121.636 120.500 0.040 0.000 2.316 125 R HA -0.191 4.149 4.340 0.001 0.000 0.232 125 R C 1.760 177.971 176.300 -0.149 0.000 1.137 125 R CA 1.526 57.626 56.100 -0.000 0.000 1.012 125 R CB -1.042 29.303 30.300 0.076 0.000 0.859 125 R HN 0.402 nan 8.270 nan 0.000 0.474 126 K N 0.328 120.502 120.400 -0.377 0.000 2.116 126 K HA -0.112 4.208 4.320 0.001 0.000 0.203 126 K C 1.201 177.448 176.600 -0.589 0.000 1.052 126 K CA 1.045 57.070 56.287 -0.436 0.000 0.952 126 K CB -0.449 31.760 32.500 -0.484 0.000 0.729 126 K HN 0.138 nan 8.250 nan 0.000 0.446 127 Y N 3.193 123.108 120.300 -0.643 0.000 2.446 127 Y HA -0.146 4.405 4.550 0.001 0.000 0.287 127 Y C 2.320 178.043 175.900 -0.295 0.000 1.159 127 Y CA 1.567 59.216 58.100 -0.751 0.000 1.297 127 Y CB -0.777 36.994 38.460 -1.148 0.000 0.974 127 Y HN 0.342 nan 8.280 nan 0.000 0.557 128 T N -2.408 112.122 114.554 -0.040 0.000 3.235 128 T HA 0.559 4.909 4.350 0.001 0.000 0.251 128 T C 0.666 175.642 174.700 0.459 0.000 1.060 128 T CA -0.030 62.237 62.100 0.278 0.000 0.949 128 T CB -0.639 68.387 68.868 0.264 0.000 1.020 128 T HN 0.208 nan 8.240 nan 0.000 0.564 129 A N 1.677 124.656 122.820 0.265 0.000 2.386 129 A HA 0.666 4.986 4.320 0.001 0.000 0.248 129 A C -0.187 177.581 177.584 0.307 0.000 1.082 129 A CA -0.729 51.420 52.037 0.187 0.000 0.789 129 A CB -0.072 18.969 19.000 0.070 0.000 1.025 129 A HN 0.810 nan 8.150 nan 0.000 0.490 130 F N -1.593 118.436 119.950 0.131 0.000 2.668 130 F HA 0.746 5.274 4.527 0.000 0.000 0.309 130 F C -0.458 175.386 175.800 0.072 0.000 1.117 130 F CA -0.768 57.276 58.000 0.074 0.000 0.951 130 F CB 1.266 40.301 39.000 0.058 0.000 1.323 130 F HN 0.399 nan 8.300 nan 0.000 0.451 131 T N 2.502 117.194 114.554 0.230 0.000 2.856 131 T HA 0.601 4.951 4.350 0.001 0.000 0.283 131 T C -0.293 174.508 174.700 0.170 0.000 1.008 131 T CA -0.543 61.618 62.100 0.102 0.000 0.997 131 T CB 1.721 70.600 68.868 0.018 0.000 0.992 131 T HN 0.613 nan 8.240 nan 0.000 0.454 132 I N 3.853 124.504 120.570 0.136 0.000 2.578 132 I HA 0.239 4.409 4.170 0.001 0.000 0.284 132 I C -1.999 174.140 176.117 0.037 0.000 1.156 132 I CA -2.149 59.220 61.300 0.115 0.000 1.165 132 I CB 0.174 38.279 38.000 0.176 0.000 1.567 132 I HN 0.357 nan 8.210 nan 0.000 0.546 133 P HA -0.150 nan 4.420 nan 0.000 0.277 133 P C 0.051 177.340 177.300 -0.018 0.000 1.221 133 P CA 0.632 63.723 63.100 -0.016 0.000 0.802 133 P CB 0.517 32.205 31.700 -0.020 0.000 0.806 134 S N 0.196 115.881 115.700 -0.025 0.000 2.753 134 S HA 0.711 5.181 4.470 0.001 0.000 0.302 134 S C 0.206 174.792 174.600 -0.023 0.000 1.104 134 S CA -0.960 57.226 58.200 -0.024 0.000 0.968 134 S CB 0.774 63.958 63.200 -0.026 0.000 1.278 134 S HN 0.395 nan 8.310 nan 0.000 0.549 135 I N 1.516 122.074 120.570 -0.020 0.000 2.382 135 I HA 0.427 4.598 4.170 0.001 0.000 0.286 135 I C 0.009 176.116 176.117 -0.017 0.000 1.002 135 I CA -0.196 61.093 61.300 -0.017 0.000 1.135 135 I CB 0.973 38.965 38.000 -0.014 0.000 1.288 135 I HN 0.799 nan 8.210 nan 0.000 0.448 136 N N 4.873 123.562 118.700 -0.017 0.000 2.829 136 N HA -0.230 4.510 4.740 0.001 0.000 0.250 136 N C -0.481 175.017 175.510 -0.021 0.000 1.090 136 N CA 0.778 53.818 53.050 -0.017 0.000 0.781 136 N CB -0.981 37.499 38.487 -0.013 0.000 1.124 136 N HN 0.781 nan 8.380 nan 0.000 0.559 137 N N -0.878 117.807 118.700 -0.025 0.000 2.696 137 N HA -0.219 4.522 4.740 0.001 0.000 0.256 137 N C 0.614 176.108 175.510 -0.028 0.000 1.031 137 N CA 1.466 54.499 53.050 -0.029 0.000 0.730 137 N CB -1.117 37.350 38.487 -0.033 0.000 0.894 137 N HN 0.807 nan 8.380 nan 0.000 0.544 138 E N -1.077 119.107 120.200 -0.026 0.000 2.057 138 E HA 0.030 4.380 4.350 0.001 0.000 0.191 138 E C 0.308 176.891 176.600 -0.030 0.000 0.959 138 E CA 0.375 56.760 56.400 -0.025 0.000 0.828 138 E CB -0.186 29.501 29.700 -0.021 0.000 0.800 138 E HN 0.198 nan 8.360 nan 0.000 0.460 139 T N 3.213 117.748 114.554 -0.031 0.000 2.898 139 T HA 0.199 4.550 4.350 0.001 0.000 0.301 139 T C -2.218 172.457 174.700 -0.042 0.000 1.049 139 T CA -1.043 61.036 62.100 -0.036 0.000 1.095 139 T CB 0.999 69.848 68.868 -0.032 0.000 0.976 139 T HN -0.025 nan 8.240 nan 0.000 0.539 140 P HA 0.350 nan 4.420 nan 0.000 0.284 140 P C 0.175 177.438 177.300 -0.061 0.000 1.292 140 P CA -0.469 62.597 63.100 -0.058 0.000 0.800 140 P CB 0.335 31.994 31.700 -0.067 0.000 1.188 141 G N -0.088 108.673 108.800 -0.065 0.000 2.554 141 G HA2 0.251 4.211 3.960 0.001 0.000 0.238 141 G HA3 0.251 4.211 3.960 0.001 0.000 0.238 141 G C -0.281 174.566 174.900 -0.089 0.000 1.259 141 G CA -0.353 44.711 45.100 -0.060 0.000 0.843 141 G HN 0.347 nan 8.290 nan 0.000 0.582 142 I N 2.169 122.697 120.570 -0.070 0.000 2.301 142 I HA 0.217 4.387 4.170 0.001 0.000 0.292 142 I C 0.513 176.503 176.117 -0.211 0.000 1.046 142 I CA -0.433 60.779 61.300 -0.147 0.000 1.282 142 I CB 0.649 38.630 38.000 -0.032 0.000 1.409 142 I HN 0.182 nan 8.210 nan 0.000 0.484 143 R N 6.037 126.319 120.500 -0.363 0.000 2.428 143 R HA 0.566 4.906 4.340 0.001 0.000 0.294 143 R C -1.134 174.781 176.300 -0.642 0.000 1.000 143 R CA -0.539 55.340 56.100 -0.369 0.000 0.960 143 R CB 1.709 31.848 30.300 -0.270 0.000 1.076 143 R HN 0.447 nan 8.270 nan 0.000 0.475 144 Y N -0.248 119.672 120.300 -0.633 0.000 2.805 144 Y HA 0.354 4.904 4.550 0.000 0.000 0.323 144 Y C 0.065 175.574 175.900 -0.651 0.000 1.279 144 Y CA -0.665 56.986 58.100 -0.748 0.000 1.103 144 Y CB 2.056 39.800 38.460 -1.194 0.000 1.324 144 Y HN 0.429 nan 8.280 nan 0.000 0.498 145 Q N 0.048 119.721 119.800 -0.212 0.000 2.594 145 Q HA 0.309 4.649 4.340 0.001 0.000 0.278 145 Q C -2.325 173.676 176.000 0.002 0.000 0.961 145 Q CA -0.723 55.069 55.803 -0.018 0.000 0.844 145 Q CB 1.775 30.496 28.738 -0.029 0.000 1.475 145 Q HN 0.714 nan 8.270 nan 0.000 0.389 146 Y N 1.393 121.789 120.300 0.160 0.000 2.335 146 Y HA 0.335 4.886 4.550 0.001 0.000 0.323 146 Y C 0.623 176.591 175.900 0.113 0.000 1.224 146 Y CA 0.434 58.639 58.100 0.175 0.000 1.241 146 Y CB 1.489 40.087 38.460 0.231 0.000 1.235 146 Y HN 0.761 nan 8.280 nan 0.000 0.492 147 N N -0.202 118.612 118.700 0.189 0.000 2.143 147 N HA 0.224 4.964 4.740 0.001 0.000 0.222 147 N C -1.763 173.878 175.510 0.218 0.000 1.264 147 N CA 0.040 53.188 53.050 0.163 0.000 0.897 147 N CB 1.294 39.831 38.487 0.082 0.000 1.092 147 N HN 0.227 nan 8.380 nan 0.000 0.516 148 V N -0.926 119.187 119.914 0.333 0.000 2.752 148 V HA 0.384 4.504 4.120 0.001 0.000 0.302 148 V C -0.071 176.282 176.094 0.432 0.000 1.133 148 V CA -1.405 61.100 62.300 0.343 0.000 0.919 148 V CB 1.349 33.368 31.823 0.328 0.000 1.026 148 V HN -0.004 nan 8.190 nan 0.000 0.429 149 L N 4.736 126.155 121.223 0.327 0.000 3.184 149 L HA -0.021 4.319 4.340 0.001 0.000 0.355 149 L C -1.853 175.181 176.870 0.274 0.000 1.167 149 L CA 0.042 55.039 54.840 0.261 0.000 0.816 149 L CB -0.204 41.931 42.059 0.125 0.000 1.165 149 L HN 0.469 nan 8.230 nan 0.000 0.603 150 P HA 0.146 nan 4.420 nan 0.000 0.279 150 P C -0.849 176.531 177.300 0.134 0.000 1.252 150 P CA -0.543 62.501 63.100 -0.095 0.000 0.811 150 P CB 0.759 32.201 31.700 -0.430 0.000 1.035 151 Q N -0.056 119.902 119.800 0.263 0.000 2.340 151 Q HA 0.391 4.732 4.340 0.001 0.000 0.249 151 Q C 1.163 177.336 176.000 0.289 0.000 0.957 151 Q CA 0.449 56.400 55.803 0.246 0.000 0.882 151 Q CB 0.405 29.262 28.738 0.199 0.000 1.235 151 Q HN 0.844 nan 8.270 nan 0.000 0.439 152 G N 1.428 110.378 108.800 0.251 0.000 2.320 152 G HA2 -0.276 3.684 3.960 0.001 0.000 0.242 152 G HA3 -0.276 3.684 3.960 0.001 0.000 0.242 152 G C -0.589 174.549 174.900 0.397 0.000 1.033 152 G CA 0.110 45.433 45.100 0.372 0.000 0.620 152 G HN 0.670 nan 8.290 nan 0.000 0.517 153 W N 2.839 124.091 121.300 -0.081 0.000 2.322 153 W HA 0.764 5.424 4.660 0.001 0.000 0.307 153 W C 0.958 177.240 176.519 -0.394 0.000 1.220 153 W CA -0.995 56.086 57.345 -0.441 0.000 1.210 153 W CB 0.893 29.838 29.460 -0.859 0.000 1.223 153 W HN 0.045 nan 8.180 nan 0.000 0.511 154 K N 3.209 123.087 120.400 -0.870 0.000 2.442 154 K HA 0.000 4.321 4.320 0.001 0.000 0.198 154 K C 2.096 177.991 176.600 -1.176 0.000 1.042 154 K CA 1.149 56.809 56.287 -1.045 0.000 0.958 154 K CB -0.040 31.623 32.500 -1.395 0.000 0.766 154 K HN 0.741 nan 8.250 nan 0.000 0.474 155 G N 0.191 107.683 108.800 -2.179 0.000 2.408 155 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 155 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 155 G C 1.406 175.655 174.900 -1.085 0.000 1.150 155 G CA 0.665 44.706 45.100 -1.766 0.000 0.776 155 G HN 0.201 nan 8.290 nan 0.000 0.542 156 S N 1.913 116.889 115.700 -1.205 0.000 2.369 156 S HA -0.131 4.339 4.470 0.001 0.000 0.225 156 S C 0.104 174.312 174.600 -0.653 0.000 1.043 156 S CA 1.790 59.517 58.200 -0.788 0.000 1.074 156 S CB -1.086 61.519 63.200 -0.992 0.000 0.962 156 S HN 0.297 nan 8.310 nan 0.000 0.433 157 P HA 0.027 nan 4.420 nan 0.000 0.218 157 P C 1.313 178.540 177.300 -0.123 0.000 1.149 157 P CA 1.373 64.312 63.100 -0.269 0.000 0.817 157 P CB -0.178 31.379 31.700 -0.238 0.000 0.785 158 A N -1.319 121.380 122.820 -0.200 0.000 1.969 158 A HA -0.115 4.205 4.320 0.001 0.000 0.218 158 A C 2.142 179.676 177.584 -0.084 0.000 1.169 158 A CA 1.112 53.066 52.037 -0.139 0.000 0.635 158 A CB -1.306 17.591 19.000 -0.170 0.000 0.810 158 A HN 0.114 nan 8.150 nan 0.000 0.445 159 I N -2.556 117.996 120.570 -0.031 0.000 2.315 159 I HA -0.077 4.093 4.170 0.001 0.000 0.233 159 I C 2.064 178.270 176.117 0.148 0.000 1.067 159 I CA 0.894 62.245 61.300 0.085 0.000 1.376 159 I CB -0.397 37.680 38.000 0.129 0.000 1.143 159 I HN 0.306 nan 8.210 nan 0.000 0.421 160 F N 1.772 121.717 119.950 -0.008 0.000 2.257 160 F HA -0.350 4.177 4.527 0.001 0.000 0.302 160 F C 2.534 178.347 175.800 0.022 0.000 1.056 160 F CA 1.676 59.711 58.000 0.058 0.000 1.353 160 F CB -0.570 38.535 39.000 0.176 0.000 1.064 160 F HN 0.179 nan 8.300 nan 0.000 0.520 161 Q N -0.102 119.770 119.800 0.120 0.000 2.124 161 Q HA -0.369 3.971 4.340 0.001 0.000 0.215 161 Q C 2.465 178.422 176.000 -0.071 0.000 1.015 161 Q CA 3.108 58.918 55.803 0.012 0.000 0.890 161 Q CB -0.375 28.358 28.738 -0.008 0.000 0.966 161 Q HN 0.557 nan 8.270 nan 0.000 0.412 162 S N -1.146 114.510 115.700 -0.073 0.000 2.399 162 S HA -0.099 4.371 4.470 0.001 0.000 0.231 162 S C 1.871 176.363 174.600 -0.180 0.000 1.022 162 S CA 1.423 59.566 58.200 -0.095 0.000 0.983 162 S CB -0.131 63.040 63.200 -0.049 0.000 0.803 162 S HN 0.317 nan 8.310 nan 0.000 0.480 163 S N 0.917 116.421 115.700 -0.328 0.000 2.478 163 S HA 0.253 4.723 4.470 0.001 0.000 0.222 163 S C 1.608 175.811 174.600 -0.661 0.000 1.008 163 S CA 0.685 58.580 58.200 -0.508 0.000 0.928 163 S CB -0.260 62.492 63.200 -0.746 0.000 0.781 163 S HN 0.479 nan 8.310 nan 0.000 0.518 164 M N 2.284 121.563 119.600 -0.534 0.000 2.236 164 M HA -0.006 4.474 4.480 0.001 0.000 0.266 164 M C 2.266 178.391 176.300 -0.291 0.000 1.070 164 M CA 1.493 56.572 55.300 -0.368 0.000 1.137 164 M CB -0.901 31.628 32.600 -0.119 0.000 1.378 164 M HN 0.293 nan 8.290 nan 0.000 0.426 165 T N -1.126 113.301 114.554 -0.211 0.000 2.962 165 T HA -0.119 4.232 4.350 0.001 0.000 0.270 165 T C 1.764 176.351 174.700 -0.187 0.000 1.088 165 T CA 1.668 63.675 62.100 -0.155 0.000 1.127 165 T CB -0.094 68.720 68.868 -0.091 0.000 0.883 165 T HN 0.379 nan 8.240 nan 0.000 0.493 166 K N 0.542 120.789 120.400 -0.256 0.000 2.031 166 K HA 0.249 4.569 4.320 0.001 0.000 0.205 166 K C 2.200 178.576 176.600 -0.374 0.000 1.049 166 K CA 1.288 57.434 56.287 -0.237 0.000 0.939 166 K CB -0.299 32.098 32.500 -0.171 0.000 0.717 166 K HN 0.369 nan 8.250 nan 0.000 0.438 167 I N 0.991 121.136 120.570 -0.709 0.000 2.118 167 I HA -0.328 3.842 4.170 0.001 0.000 0.241 167 I C 1.815 177.673 176.117 -0.431 0.000 1.070 167 I CA 1.569 62.355 61.300 -0.858 0.000 1.327 167 I CB -0.455 36.932 38.000 -1.021 0.000 1.034 167 I HN 0.133 nan 8.210 nan 0.000 0.405 168 L N 0.342 121.376 121.223 -0.314 0.000 2.554 168 L HA -0.049 4.291 4.340 0.001 0.000 0.226 168 L C 2.448 179.247 176.870 -0.118 0.000 1.137 168 L CA 0.341 55.066 54.840 -0.193 0.000 0.863 168 L CB -0.689 41.301 42.059 -0.114 0.000 0.985 168 L HN 0.349 nan 8.230 nan 0.000 0.451 169 E N 1.994 122.116 120.200 -0.129 0.000 2.160 169 E HA -0.209 4.142 4.350 0.001 0.000 0.195 169 E C -0.729 175.832 176.600 -0.066 0.000 0.991 169 E CA 1.290 57.643 56.400 -0.077 0.000 0.810 169 E CB -0.575 29.086 29.700 -0.065 0.000 0.742 169 E HN 0.369 nan 8.360 nan 0.000 0.466 170 P HA -0.003 nan 4.420 nan 0.000 0.220 170 P C 1.143 178.386 177.300 -0.095 0.000 1.154 170 P CA 0.647 63.700 63.100 -0.078 0.000 0.830 170 P CB -0.234 31.426 31.700 -0.066 0.000 0.803 171 F N 1.083 120.800 119.950 -0.387 0.000 2.146 171 F HA -0.072 4.455 4.527 0.001 0.000 0.298 171 F C 2.246 177.970 175.800 -0.125 0.000 1.096 171 F CA 1.298 59.133 58.000 -0.275 0.000 1.275 171 F CB -0.155 38.635 39.000 -0.350 0.000 1.008 171 F HN -0.332 nan 8.300 nan 0.000 0.480 172 R N 0.455 120.997 120.500 0.070 0.000 2.073 172 R HA -0.186 4.154 4.340 0.001 0.000 0.234 172 R C 2.215 178.463 176.300 -0.087 0.000 1.134 172 R CA 1.575 57.677 56.100 0.004 0.000 0.952 172 R CB -0.673 29.644 30.300 0.028 0.000 0.850 172 R HN 0.167 nan 8.270 nan 0.000 0.433 173 K N 1.160 121.517 120.400 -0.072 0.000 2.074 173 K HA -0.197 4.124 4.320 0.001 0.000 0.209 173 K C 2.004 178.546 176.600 -0.097 0.000 1.048 173 K CA 1.634 57.880 56.287 -0.069 0.000 0.926 173 K CB -0.046 32.427 32.500 -0.046 0.000 0.713 173 K HN 0.115 nan 8.250 nan 0.000 0.444 174 Q N -0.570 119.145 119.800 -0.142 0.000 2.389 174 Q HA 0.037 4.377 4.340 0.001 0.000 0.204 174 Q C -0.584 175.274 176.000 -0.236 0.000 0.944 174 Q CA 0.853 56.559 55.803 -0.162 0.000 0.908 174 Q CB 0.366 29.015 28.738 -0.149 0.000 1.002 174 Q HN 0.310 nan 8.270 nan 0.000 0.493 175 N N -0.665 117.839 118.700 -0.328 0.000 2.726 175 N HA 0.127 4.868 4.740 0.001 0.000 0.253 175 N C -2.519 172.871 175.510 -0.199 0.000 1.530 175 N CA -0.963 51.901 53.050 -0.311 0.000 0.772 175 N CB 1.116 39.296 38.487 -0.512 0.000 1.220 175 N HN -0.078 nan 8.380 nan 0.000 0.508 176 P HA -0.023 nan 4.420 nan 0.000 0.231 176 P C -0.204 177.069 177.300 -0.044 0.000 1.158 176 P CA 0.978 64.038 63.100 -0.068 0.000 0.763 176 P CB 0.358 32.025 31.700 -0.054 0.000 0.805 177 D N -0.963 119.408 120.400 -0.048 0.000 2.368 177 D HA 0.153 4.794 4.640 0.001 0.000 0.218 177 D C 0.508 176.809 176.300 0.002 0.000 1.112 177 D CA 0.070 54.057 54.000 -0.022 0.000 0.834 177 D CB 0.061 40.849 40.800 -0.021 0.000 0.953 177 D HN 0.213 nan 8.370 nan 0.000 0.505 178 I N 1.588 122.161 120.570 0.004 0.000 2.331 178 I HA 0.179 4.349 4.170 0.001 0.000 0.292 178 I C -0.025 176.143 176.117 0.085 0.000 0.998 178 I CA -0.767 60.573 61.300 0.067 0.000 1.267 178 I CB 1.700 39.759 38.000 0.098 0.000 1.386 178 I HN -0.334 nan 8.210 nan 0.000 0.476 179 V N 7.032 127.003 119.914 0.095 0.000 2.383 179 V HA 0.409 4.530 4.120 0.001 0.000 0.275 179 V C 0.269 176.443 176.094 0.135 0.000 1.036 179 V CA -0.478 61.873 62.300 0.085 0.000 0.889 179 V CB 1.477 33.326 31.823 0.043 0.000 0.985 179 V HN 0.428 nan 8.190 nan 0.000 0.459 180 I N 5.337 125.990 120.570 0.138 0.000 2.433 180 I HA 0.479 4.650 4.170 0.001 0.000 0.292 180 I C -1.082 175.166 176.117 0.218 0.000 1.001 180 I CA -0.579 60.815 61.300 0.157 0.000 1.119 180 I CB 1.883 39.946 38.000 0.104 0.000 1.289 180 I HN 0.722 nan 8.210 nan 0.000 0.438 181 Y N 6.084 126.464 120.300 0.134 0.000 2.396 181 Y HA 0.361 4.911 4.550 0.001 0.000 0.332 181 Y C -0.733 175.322 175.900 0.258 0.000 1.034 181 Y CA -1.052 57.126 58.100 0.131 0.000 1.057 181 Y CB 1.654 40.146 38.460 0.053 0.000 1.220 181 Y HN 0.641 nan 8.280 nan 0.000 0.440 182 Q N 6.250 125.772 119.800 -0.463 0.000 2.325 182 Q HA 0.391 4.731 4.340 0.001 0.000 0.262 182 Q C -2.309 173.413 176.000 -0.464 0.000 0.968 182 Q CA -0.744 54.895 55.803 -0.274 0.000 0.877 182 Q CB 1.293 29.990 28.738 -0.068 0.000 1.253 182 Q HN 0.738 nan 8.270 nan 0.000 0.448 183 Y N 7.040 127.180 120.300 -0.267 0.000 2.447 183 Y HA 0.375 4.925 4.550 0.000 0.000 0.325 183 Y C 0.140 176.097 175.900 0.095 0.000 0.976 183 Y CA -0.416 57.605 58.100 -0.133 0.000 1.280 183 Y CB 0.489 38.917 38.460 -0.053 0.000 1.104 183 Y HN 1.059 nan 8.280 nan 0.000 0.486 184 M N 1.451 120.862 119.600 -0.314 0.000 7.319 184 M HA -0.400 4.080 4.480 0.001 0.000 0.289 184 M C -0.056 176.301 176.300 0.095 0.000 0.480 184 M CA 2.156 57.361 55.300 -0.159 0.000 1.311 184 M CB -0.987 31.578 32.600 -0.057 0.000 0.421 184 M HN 0.572 nan 8.290 nan 0.000 0.505 185 D N 1.017 121.533 120.400 0.194 0.000 2.349 185 D HA 0.192 4.832 4.640 0.001 0.000 0.214 185 D C -0.606 175.739 176.300 0.075 0.000 1.063 185 D CA 0.555 54.654 54.000 0.165 0.000 0.847 185 D CB 0.123 40.992 40.800 0.115 0.000 0.933 185 D HN 0.291 nan 8.370 nan 0.000 0.513 186 D N 0.181 120.673 120.400 0.153 0.000 2.340 186 D HA 0.332 4.972 4.640 0.001 0.000 0.240 186 D C -0.087 176.259 176.300 0.077 0.000 1.001 186 D CA -0.488 53.555 54.000 0.072 0.000 0.888 186 D CB 2.402 43.250 40.800 0.080 0.000 1.310 186 D HN -0.073 nan 8.370 nan 0.000 0.474 187 L N 1.461 122.650 121.223 -0.057 0.000 2.329 187 L HA 0.353 4.693 4.340 0.001 0.000 0.279 187 L C -1.011 175.788 176.870 -0.119 0.000 1.014 187 L CA -0.870 53.968 54.840 -0.003 0.000 0.814 187 L CB 1.171 43.202 42.059 -0.047 0.000 1.257 187 L HN 0.284 nan 8.230 nan 0.000 0.424 188 Y N 2.596 122.940 120.300 0.073 0.000 2.335 188 Y HA 0.363 4.914 4.550 0.001 0.000 0.339 188 Y C -0.036 175.930 175.900 0.110 0.000 0.987 188 Y CA -0.694 57.484 58.100 0.129 0.000 1.140 188 Y CB 1.674 40.278 38.460 0.239 0.000 1.173 188 Y HN 0.132 nan 8.280 nan 0.000 0.486 189 V N 3.904 123.900 119.914 0.137 0.000 2.293 189 V HA 0.592 4.712 4.120 0.001 0.000 0.275 189 V C 0.351 176.576 176.094 0.218 0.000 1.021 189 V CA -0.728 61.658 62.300 0.143 0.000 0.815 189 V CB 0.915 32.767 31.823 0.048 0.000 1.025 189 V HN 0.921 nan 8.190 nan 0.000 0.448 190 G N 3.027 111.948 108.800 0.202 0.000 2.400 190 G HA2 0.761 4.721 3.960 0.001 0.000 0.333 190 G HA3 0.761 4.721 3.960 0.001 0.000 0.333 190 G C -0.414 174.605 174.900 0.197 0.000 1.143 190 G CA -0.168 45.044 45.100 0.187 0.000 0.914 190 G HN 0.933 nan 8.290 nan 0.000 0.480 191 S N -0.271 115.551 115.700 0.204 0.000 2.588 191 S HA 0.440 4.910 4.470 0.001 0.000 0.269 191 S C -0.762 173.888 174.600 0.085 0.000 1.157 191 S CA -0.749 57.557 58.200 0.177 0.000 0.824 191 S CB 2.263 65.641 63.200 0.296 0.000 1.126 191 S HN 0.324 nan 8.310 nan 0.000 0.464 192 D N 0.651 121.089 120.400 0.063 0.000 2.369 192 D HA 0.308 4.948 4.640 0.001 0.000 0.211 192 D C 0.684 177.008 176.300 0.041 0.000 1.077 192 D CA -0.009 54.006 54.000 0.026 0.000 0.842 192 D CB 0.076 40.881 40.800 0.008 0.000 0.947 192 D HN 0.458 nan 8.370 nan 0.000 0.509 193 L N 1.394 122.670 121.223 0.088 0.000 2.473 193 L HA -0.069 4.272 4.340 0.001 0.000 0.280 193 L C 1.161 178.077 176.870 0.076 0.000 1.266 193 L CA 0.153 55.048 54.840 0.092 0.000 0.824 193 L CB 0.180 42.325 42.059 0.144 0.000 1.091 193 L HN 0.047 nan 8.230 nan 0.000 0.534 194 E N 0.049 120.288 120.200 0.066 0.000 2.371 194 E HA 0.070 4.421 4.350 0.001 0.000 0.257 194 E C 0.738 177.391 176.600 0.089 0.000 1.134 194 E CA -0.465 55.965 56.400 0.050 0.000 0.919 194 E CB 0.658 30.379 29.700 0.036 0.000 1.025 194 E HN 0.409 nan 8.360 nan 0.000 0.438 195 I N 1.779 122.392 120.570 0.071 0.000 2.163 195 I HA -0.139 4.031 4.170 0.001 0.000 0.243 195 I C 1.969 178.165 176.117 0.131 0.000 1.085 195 I CA 2.436 63.803 61.300 0.112 0.000 1.347 195 I CB -0.682 37.367 38.000 0.083 0.000 1.044 195 I HN 0.827 nan 8.210 nan 0.000 0.408 196 G N -1.122 107.727 108.800 0.082 0.000 2.422 196 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 196 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 196 G C 1.619 176.560 174.900 0.069 0.000 1.146 196 G CA 0.694 45.833 45.100 0.066 0.000 0.769 196 G HN 0.471 nan 8.290 nan 0.000 0.547 197 Q N -0.985 118.861 119.800 0.077 0.000 2.083 197 Q HA -0.078 4.262 4.340 0.001 0.000 0.198 197 Q C 2.216 178.266 176.000 0.084 0.000 0.969 197 Q CA 1.258 57.101 55.803 0.067 0.000 0.838 197 Q CB -0.143 28.634 28.738 0.064 0.000 0.900 197 Q HN 0.718 nan 8.270 nan 0.000 0.436 198 H N 0.614 119.711 119.070 0.045 0.000 2.253 198 H HA -0.071 4.485 4.556 0.000 0.000 0.296 198 H C 1.971 177.333 175.328 0.057 0.000 1.074 198 H CA 1.859 57.941 56.048 0.056 0.000 1.263 198 H CB 0.186 29.981 29.762 0.055 0.000 1.363 198 H HN 0.016 nan 8.280 nan 0.000 0.489 199 R N -0.473 120.095 120.500 0.114 0.000 2.153 199 R HA -0.161 4.179 4.340 0.001 0.000 0.252 199 R C 2.292 178.590 176.300 -0.003 0.000 1.158 199 R CA 1.879 58.011 56.100 0.054 0.000 0.975 199 R CB -1.102 29.245 30.300 0.079 0.000 0.871 199 R HN 0.451 nan 8.270 nan 0.000 0.450 200 T N 0.945 115.505 114.554 0.011 0.000 2.770 200 T HA -0.080 4.270 4.350 0.001 0.000 0.263 200 T C 1.788 176.498 174.700 0.018 0.000 1.039 200 T CA 1.204 63.311 62.100 0.013 0.000 1.142 200 T CB -0.081 68.801 68.868 0.024 0.000 0.868 200 T HN 0.051 nan 8.240 nan 0.000 0.435 201 K N 0.970 121.378 120.400 0.013 0.000 2.152 201 K HA 0.061 4.381 4.320 0.001 0.000 0.206 201 K C 1.857 178.516 176.600 0.099 0.000 1.048 201 K CA 0.819 57.168 56.287 0.104 0.000 0.933 201 K CB -0.400 32.144 32.500 0.073 0.000 0.721 201 K HN 0.291 nan 8.250 nan 0.000 0.447 202 I N 0.389 120.909 120.570 -0.084 0.000 2.761 202 I HA -0.112 4.058 4.170 0.001 0.000 0.261 202 I C 1.943 178.001 176.117 -0.098 0.000 1.198 202 I CA 0.837 62.057 61.300 -0.134 0.000 1.482 202 I CB -0.425 37.469 38.000 -0.177 0.000 1.100 202 I HN 0.240 nan 8.210 nan 0.000 0.445 203 E N 1.393 121.562 120.200 -0.052 0.000 2.028 203 E HA -0.165 4.186 4.350 0.001 0.000 0.190 203 E C 1.963 178.530 176.600 -0.054 0.000 0.984 203 E CA 1.052 57.424 56.400 -0.046 0.000 0.800 203 E CB 0.061 29.746 29.700 -0.024 0.000 0.758 203 E HN 0.477 nan 8.360 nan 0.000 0.448 204 E N 0.726 120.921 120.200 -0.008 0.000 2.049 204 E HA -0.237 4.114 4.350 0.001 0.000 0.198 204 E C 2.204 178.753 176.600 -0.086 0.000 1.007 204 E CA 1.221 57.618 56.400 -0.004 0.000 0.809 204 E CB -0.374 29.438 29.700 0.186 0.000 0.749 204 E HN 0.108 nan 8.360 nan 0.000 0.450 205 L N 1.534 122.664 121.223 -0.155 0.000 2.187 205 L HA -0.153 4.187 4.340 0.001 0.000 0.213 205 L C 2.146 178.867 176.870 -0.248 0.000 1.100 205 L CA 1.602 56.139 54.840 -0.505 0.000 0.765 205 L CB -0.239 41.279 42.059 -0.901 0.000 0.904 205 L HN -0.035 nan 8.230 nan 0.000 0.437 206 R N -0.785 119.614 120.500 -0.169 0.000 2.092 206 R HA -0.104 4.237 4.340 0.001 0.000 0.231 206 R C 2.133 178.388 176.300 -0.074 0.000 1.119 206 R CA 1.297 57.330 56.100 -0.112 0.000 0.970 206 R CB -0.277 29.971 30.300 -0.087 0.000 0.864 206 R HN 0.536 nan 8.270 nan 0.000 0.440 207 Q N -0.293 119.447 119.800 -0.100 0.000 2.079 207 Q HA -0.129 4.211 4.340 0.001 0.000 0.200 207 Q C 2.009 177.992 176.000 -0.028 0.000 0.974 207 Q CA 1.198 56.950 55.803 -0.083 0.000 0.840 207 Q CB -0.550 28.099 28.738 -0.149 0.000 0.898 207 Q HN 0.490 nan 8.270 nan 0.000 0.430 208 H N 0.700 119.771 119.070 0.002 0.000 2.357 208 H HA -0.105 4.451 4.556 0.000 0.000 0.296 208 H C 2.267 177.633 175.328 0.064 0.000 1.108 208 H CA 1.110 57.178 56.048 0.033 0.000 1.273 208 H CB -0.253 29.475 29.762 -0.057 0.000 1.367 208 H HN 0.167 nan 8.280 nan 0.000 0.498 209 L N -0.171 121.116 121.223 0.107 0.000 2.005 209 L HA -0.178 4.162 4.340 0.001 0.000 0.207 209 L C 2.533 179.502 176.870 0.167 0.000 1.072 209 L CA 0.554 55.431 54.840 0.061 0.000 0.744 209 L CB -0.368 41.677 42.059 -0.024 0.000 0.895 209 L HN 0.182 nan 8.230 nan 0.000 0.433 210 L N 0.050 121.338 121.223 0.109 0.000 2.270 210 L HA -0.227 4.113 4.340 0.001 0.000 0.217 210 L C 2.325 179.286 176.870 0.151 0.000 1.107 210 L CA 1.637 56.536 54.840 0.099 0.000 0.772 210 L CB -0.720 41.366 42.059 0.045 0.000 0.902 210 L HN 0.092 nan 8.230 nan 0.000 0.439 211 R N -2.102 118.554 120.500 0.259 0.000 2.276 211 R HA -0.063 4.277 4.340 0.001 0.000 0.203 211 R C 1.266 177.630 176.300 0.107 0.000 1.017 211 R CA 0.816 57.048 56.100 0.220 0.000 1.010 211 R CB -0.492 29.997 30.300 0.315 0.000 0.900 211 R HN 0.509 nan 8.270 nan 0.000 0.469 212 W N -1.966 119.354 121.300 0.034 0.000 2.940 212 W HA 0.404 5.064 4.660 0.000 0.000 0.297 212 W C 0.822 177.373 176.519 0.053 0.000 1.149 212 W CA 0.426 57.798 57.345 0.046 0.000 1.564 212 W CB 0.521 30.011 29.460 0.050 0.000 1.010 212 W HN 0.148 nan 8.180 nan 0.000 0.578 213 G N 0.488 109.424 108.800 0.226 0.000 2.151 213 G HA2 -0.168 3.793 3.960 0.001 0.000 0.140 213 G HA3 -0.168 3.793 3.960 0.001 0.000 0.140 213 G C -0.304 174.654 174.900 0.096 0.000 1.020 213 G CA -0.397 44.783 45.100 0.133 0.000 0.688 213 G HN 0.097 nan 8.290 nan 0.000 0.500 214 L N 2.061 123.341 121.223 0.095 0.000 2.360 214 L HA 0.547 4.887 4.340 0.001 0.000 0.265 214 L C 0.413 177.283 176.870 -0.001 0.000 1.066 214 L CA -0.735 54.114 54.840 0.016 0.000 0.929 214 L CB 0.182 42.231 42.059 -0.017 0.000 1.306 214 L HN 0.075 nan 8.230 nan 0.000 0.434 215 T N -0.460 114.092 114.554 -0.004 0.000 2.884 215 T HA 0.635 4.985 4.350 0.001 0.000 0.277 215 T C 0.755 175.439 174.700 -0.027 0.000 0.976 215 T CA -0.432 61.663 62.100 -0.008 0.000 0.956 215 T CB 1.654 70.526 68.868 0.006 0.000 1.113 215 T HN 0.589 nan 8.240 nan 0.000 0.554 216 T N -0.852 113.687 114.554 -0.024 0.000 4.824 216 T HA 0.178 4.529 4.350 0.001 0.000 0.323 216 T C -2.177 172.509 174.700 -0.024 0.000 0.887 216 T CA -0.825 61.258 62.100 -0.029 0.000 0.781 216 T CB -0.817 68.024 68.868 -0.044 0.000 0.884 216 T HN 0.621 nan 8.240 nan 0.000 0.399 231 G N -0.967 107.808 108.800 -0.040 0.000 2.569 231 G HA2 0.492 4.453 3.960 0.001 0.000 0.259 231 G HA3 0.492 4.453 3.960 0.001 0.000 0.259 231 G C 1.311 176.185 174.900 -0.043 0.000 1.263 231 G CA 2.136 47.208 45.100 -0.046 0.000 0.928 231 G HN 3.436 nan 8.290 nan 0.000 0.572 232 Y N -0.374 119.910 120.300 -0.027 0.000 2.609 232 Y HA 0.074 4.625 4.550 0.001 0.000 0.261 232 Y C 0.717 176.606 175.900 -0.018 0.000 1.670 232 Y CA 1.879 59.977 58.100 -0.004 0.000 1.328 232 Y CB -1.062 37.413 38.460 0.024 0.000 1.910 232 Y HN 0.943 nan 8.280 nan 0.000 0.283 233 E N 3.884 124.072 120.200 -0.021 0.000 1.993 233 E HA 0.502 4.853 4.350 0.001 0.000 0.271 233 E C -0.815 175.632 176.600 -0.255 0.000 1.008 233 E CA -0.498 55.844 56.400 -0.096 0.000 0.814 233 E CB 0.954 30.647 29.700 -0.012 0.000 1.098 233 E HN 0.622 nan 8.360 nan 0.000 0.407 234 L N 2.975 124.006 121.223 -0.321 0.000 2.360 234 L HA 0.242 4.583 4.340 0.001 0.000 0.271 234 L C 0.161 176.570 176.870 -0.768 0.000 1.057 234 L CA -0.342 54.310 54.840 -0.312 0.000 0.803 234 L CB 0.821 42.851 42.059 -0.048 0.000 1.207 234 L HN 0.369 nan 8.230 nan 0.000 0.445 235 H N 2.574 121.524 119.070 -0.201 0.000 2.953 235 H HA 0.245 4.802 4.556 0.001 0.000 0.290 235 H C -2.025 172.845 175.328 -0.764 0.000 1.113 235 H CA -1.472 54.371 56.048 -0.341 0.000 1.454 235 H CB 1.465 31.113 29.762 -0.191 0.000 1.525 235 H HN 0.375 nan 8.280 nan 0.000 0.505 236 P HA -0.100 nan 4.420 nan 0.000 0.222 236 P C 1.347 178.246 177.300 -0.668 0.000 1.153 236 P CA 0.798 63.049 63.100 -1.415 0.000 0.798 236 P CB 0.610 31.760 31.700 -0.917 0.000 0.796 237 D N 0.512 120.697 120.400 -0.358 0.000 2.157 237 D HA -0.193 4.447 4.640 0.001 0.000 0.191 237 D C 1.200 177.444 176.300 -0.093 0.000 1.004 237 D CA 1.308 55.211 54.000 -0.161 0.000 0.854 237 D CB -0.153 40.582 40.800 -0.108 0.000 0.936 237 D HN 0.014 nan 8.370 nan 0.000 0.446 238 K N -0.308 120.032 120.400 -0.100 0.000 2.520 238 K HA 0.008 4.328 4.320 0.001 0.000 0.205 238 K C -0.294 176.421 176.600 0.192 0.000 1.035 238 K CA -0.186 56.119 56.287 0.029 0.000 1.188 238 K CB -0.127 32.395 32.500 0.037 0.000 0.894 238 K HN 0.272 nan 8.250 nan 0.000 0.497 239 W N 3.314 124.646 121.300 0.053 0.000 2.226 239 W HA 0.123 4.783 4.660 0.000 0.000 0.379 239 W C 0.448 176.996 176.519 0.048 0.000 0.923 239 W CA -0.869 56.510 57.345 0.058 0.000 1.524 239 W CB -0.448 29.041 29.460 0.047 0.000 1.552 239 W HN -0.054 nan 8.180 nan 0.000 0.337 240 T N -1.275 113.436 114.554 0.262 0.000 2.923 240 T HA 0.607 4.958 4.350 0.001 0.000 0.281 240 T C 0.830 175.609 174.700 0.132 0.000 0.995 240 T CA -0.805 61.393 62.100 0.163 0.000 0.985 240 T CB 1.273 70.213 68.868 0.120 0.000 1.114 240 T HN 0.118 nan 8.240 nan 0.000 0.548 241 V N -0.464 119.513 119.914 0.105 0.000 3.923 241 V HA 0.529 4.650 4.120 0.001 0.000 0.264 241 V C -0.346 175.788 176.094 0.067 0.000 0.897 241 V CA -0.279 62.074 62.300 0.088 0.000 0.882 241 V CB -0.301 31.585 31.823 0.105 0.000 1.206 241 V HN 1.206 nan 8.190 nan 0.000 0.396 242 Q N -1.203 118.643 119.800 0.078 0.000 3.025 242 Q HA 0.578 4.919 4.340 0.001 0.000 0.216 242 Q C -3.056 173.016 176.000 0.120 0.000 0.828 242 Q CA -1.200 54.653 55.803 0.083 0.000 0.806 242 Q CB 0.761 29.539 28.738 0.066 0.000 1.423 242 Q HN 0.578 nan 8.270 nan 0.000 0.455 243 P HA 0.030 nan 4.420 nan 0.000 0.267 243 P C 0.468 177.828 177.300 0.100 0.000 1.201 243 P CA -0.275 62.863 63.100 0.062 0.000 0.775 243 P CB 0.664 32.373 31.700 0.016 0.000 0.854 244 I N 1.828 122.453 120.570 0.091 0.000 2.530 244 I HA -0.195 3.976 4.170 0.001 0.000 0.257 244 I C 0.355 176.534 176.117 0.104 0.000 1.179 244 I CA 1.325 62.714 61.300 0.149 0.000 1.440 244 I CB -0.812 37.265 38.000 0.127 0.000 1.087 244 I HN 0.314 nan 8.210 nan 0.000 0.440 245 V N -1.349 118.599 119.914 0.056 0.000 3.677 245 V HA -0.232 3.888 4.120 0.001 0.000 0.479 245 V C -0.526 175.606 176.094 0.064 0.000 0.682 245 V CA -0.233 62.099 62.300 0.053 0.000 1.977 245 V CB -2.491 29.369 31.823 0.061 0.000 2.402 245 V HN 0.150 nan 8.190 nan 0.000 0.501 246 L N 5.444 126.703 121.223 0.060 0.000 2.344 246 L HA 0.907 5.248 4.340 0.001 0.000 0.272 246 L C -1.337 175.605 176.870 0.121 0.000 1.035 246 L CA -1.973 52.927 54.840 0.099 0.000 0.807 246 L CB 1.250 43.361 42.059 0.086 0.000 1.237 246 L HN 0.524 nan 8.230 nan 0.000 0.442 247 P HA 0.183 nan 4.420 nan 0.000 0.277 247 P C -0.966 176.441 177.300 0.178 0.000 1.240 247 P CA -0.475 62.693 63.100 0.113 0.000 0.798 247 P CB 1.095 32.814 31.700 0.030 0.000 0.979 248 E N 1.504 121.741 120.200 0.062 0.000 2.316 248 E HA 0.078 4.428 4.350 0.001 0.000 0.275 248 E C 0.738 177.364 176.600 0.044 0.000 1.029 248 E CA -0.308 56.145 56.400 0.089 0.000 0.871 248 E CB 0.457 30.177 29.700 0.034 0.000 1.022 248 E HN 0.305 nan 8.360 nan 0.000 0.418 249 K N 3.263 123.844 120.400 0.303 0.000 2.610 249 K HA -0.163 4.157 4.320 0.001 0.000 0.261 249 K C 0.375 176.929 176.600 -0.077 0.000 0.673 249 K CA 1.202 57.783 56.287 0.490 0.000 0.841 249 K CB -0.424 32.394 32.500 0.529 0.000 0.275 249 K HN 0.660 nan 8.250 nan 0.000 1.061 250 D N -3.445 117.039 120.400 0.139 0.000 5.051 250 D HA -0.128 4.512 4.640 0.001 0.000 0.132 250 D C -1.374 174.963 176.300 0.061 0.000 0.634 250 D CA 2.001 55.992 54.000 -0.015 0.000 0.956 250 D CB -1.567 39.138 40.800 -0.159 0.000 0.698 250 D HN 0.822 nan 8.370 nan 0.000 0.595 251 S N -0.005 115.637 115.700 -0.097 0.000 2.532 251 S HA 0.643 5.113 4.470 0.001 0.000 0.318 251 S C -1.060 173.498 174.600 -0.070 0.000 1.083 251 S CA -0.656 57.549 58.200 0.008 0.000 1.131 251 S CB 0.090 63.276 63.200 -0.023 0.000 0.973 251 S HN 0.352 nan 8.310 nan 0.000 0.468 252 W N 2.736 124.035 121.300 -0.002 0.000 2.361 252 W HA 0.474 5.134 4.660 0.001 0.000 0.309 252 W C 1.069 177.588 176.519 -0.000 0.000 1.122 252 W CA -0.599 56.745 57.345 -0.001 0.000 1.208 252 W CB 0.914 30.373 29.460 -0.001 0.000 1.246 252 W HN 0.732 nan 8.180 nan 0.000 0.490 253 T N -1.652 113.021 114.554 0.198 0.000 2.729 253 T HA 0.176 4.526 4.350 0.001 0.000 0.298 253 T C 1.040 175.821 174.700 0.136 0.000 1.013 253 T CA -0.597 61.577 62.100 0.124 0.000 0.957 253 T CB 0.459 69.368 68.868 0.069 0.000 1.130 253 T HN 0.214 nan 8.240 nan 0.000 0.526 254 V N 1.057 121.023 119.914 0.087 0.000 2.323 254 V HA -0.123 3.998 4.120 0.001 0.000 0.244 254 V C 2.866 179.006 176.094 0.077 0.000 1.041 254 V CA 1.910 64.253 62.300 0.071 0.000 1.025 254 V CB -1.397 30.454 31.823 0.047 0.000 0.656 254 V HN 0.887 nan 8.190 nan 0.000 0.451 255 N N 1.205 119.948 118.700 0.071 0.000 2.091 255 N HA -0.217 4.523 4.740 0.001 0.000 0.193 255 N C 1.396 176.966 175.510 0.100 0.000 1.021 255 N CA 2.137 55.228 53.050 0.069 0.000 0.862 255 N CB -0.323 38.194 38.487 0.050 0.000 1.018 255 N HN 0.546 nan 8.380 nan 0.000 0.429 256 D N -0.416 120.069 120.400 0.143 0.000 2.234 256 D HA 0.002 4.643 4.640 0.001 0.000 0.205 256 D C 2.014 178.482 176.300 0.280 0.000 0.962 256 D CA 0.424 54.561 54.000 0.228 0.000 0.855 256 D CB -0.091 40.871 40.800 0.269 0.000 0.951 256 D HN 0.446 nan 8.370 nan 0.000 0.500 257 I N 0.620 121.308 120.570 0.196 0.000 2.233 257 I HA -0.214 3.956 4.170 0.001 0.000 0.243 257 I C 2.344 178.491 176.117 0.050 0.000 1.093 257 I CA 0.889 62.233 61.300 0.074 0.000 1.380 257 I CB -0.319 37.692 38.000 0.019 0.000 1.067 257 I HN -0.125 nan 8.210 nan 0.000 0.413 258 Q N 0.949 120.789 119.800 0.066 0.000 2.234 258 Q HA -0.182 4.158 4.340 0.001 0.000 0.206 258 Q C 1.791 177.843 176.000 0.087 0.000 0.980 258 Q CA 1.272 57.112 55.803 0.061 0.000 0.869 258 Q CB 0.053 28.827 28.738 0.061 0.000 0.912 258 Q HN 0.470 nan 8.270 nan 0.000 0.436 259 K N -0.483 119.986 120.400 0.115 0.000 2.393 259 K HA 0.014 4.335 4.320 0.001 0.000 0.193 259 K C 1.354 178.051 176.600 0.162 0.000 1.026 259 K CA 0.132 56.509 56.287 0.150 0.000 1.064 259 K CB 0.429 33.011 32.500 0.137 0.000 0.833 259 K HN 0.080 nan 8.250 nan 0.000 0.521 260 L N -0.256 121.037 121.223 0.116 0.000 2.500 260 L HA 0.061 4.401 4.340 0.001 0.000 0.219 260 L C 1.630 178.499 176.870 -0.002 0.000 1.057 260 L CA 0.680 55.566 54.840 0.077 0.000 0.854 260 L CB 0.411 42.496 42.059 0.043 0.000 1.078 260 L HN -0.224 nan 8.230 nan 0.000 0.480 261 V N 0.276 120.182 119.914 -0.013 0.000 2.626 261 V HA -0.118 4.002 4.120 0.001 0.000 0.252 261 V C 2.464 178.525 176.094 -0.055 0.000 1.067 261 V CA 1.688 63.961 62.300 -0.045 0.000 1.081 261 V CB -1.314 30.489 31.823 -0.034 0.000 0.686 261 V HN 0.598 nan 8.190 nan 0.000 0.468 262 G N -0.597 108.198 108.800 -0.009 0.000 2.404 262 G HA2 -0.231 3.729 3.960 0.001 0.000 0.214 262 G HA3 -0.231 3.729 3.960 0.001 0.000 0.214 262 G C 1.644 176.332 174.900 -0.354 0.000 1.189 262 G CA 0.813 45.887 45.100 -0.044 0.000 0.789 262 G HN 0.432 nan 8.290 nan 0.000 0.533 263 K N -0.256 120.038 120.400 -0.177 0.000 2.002 263 K HA 0.037 4.357 4.320 0.001 0.000 0.209 263 K C 2.599 179.015 176.600 -0.306 0.000 1.048 263 K CA 0.938 57.052 56.287 -0.288 0.000 0.930 263 K CB -0.294 32.255 32.500 0.083 0.000 0.714 263 K HN 0.264 nan 8.250 nan 0.000 0.438 264 L N 1.192 122.314 121.223 -0.169 0.000 2.079 264 L HA -0.253 4.087 4.340 0.001 0.000 0.210 264 L C 2.276 179.039 176.870 -0.179 0.000 1.081 264 L CA 1.639 56.392 54.840 -0.145 0.000 0.752 264 L CB -0.604 41.388 42.059 -0.112 0.000 0.896 264 L HN 0.367 nan 8.230 nan 0.000 0.433 265 N N -0.654 117.928 118.700 -0.197 0.000 2.025 265 N HA -0.306 4.435 4.740 0.001 0.000 0.194 265 N C 1.757 177.116 175.510 -0.251 0.000 1.044 265 N CA 1.821 54.759 53.050 -0.187 0.000 0.851 265 N CB -0.557 37.843 38.487 -0.145 0.000 1.036 265 N HN 0.323 nan 8.380 nan 0.000 0.422 266 W N 0.863 121.803 121.300 -0.600 0.000 2.335 266 W HA -0.069 4.591 4.660 0.001 0.000 0.311 266 W C 2.467 178.634 176.519 -0.587 0.000 1.213 266 W CA 2.580 59.501 57.345 -0.707 0.000 1.274 266 W CB -0.689 27.971 29.460 -1.332 0.000 1.148 266 W HN 0.280 nan 8.180 nan 0.000 0.498 267 A N -0.600 122.079 122.820 -0.234 0.000 2.019 267 A HA -0.220 4.101 4.320 0.001 0.000 0.219 267 A C 2.022 179.493 177.584 -0.189 0.000 1.164 267 A CA 2.154 54.111 52.037 -0.133 0.000 0.644 267 A CB -1.411 17.594 19.000 0.008 0.000 0.805 267 A HN 0.337 nan 8.150 nan 0.000 0.449 268 S N -0.729 114.824 115.700 -0.244 0.000 2.419 268 S HA -0.252 4.218 4.470 0.001 0.000 0.233 268 S C 1.924 176.335 174.600 -0.315 0.000 1.016 268 S CA 1.646 59.722 58.200 -0.208 0.000 0.974 268 S CB -0.380 62.707 63.200 -0.188 0.000 0.786 268 S HN 0.644 nan 8.310 nan 0.000 0.492 269 Q N -0.262 119.198 119.800 -0.566 0.000 2.297 269 Q HA 0.215 4.555 4.340 0.001 0.000 0.204 269 Q C 1.665 177.174 176.000 -0.819 0.000 0.962 269 Q CA 1.400 56.706 55.803 -0.828 0.000 0.879 269 Q CB -0.012 27.751 28.738 -1.625 0.000 0.947 269 Q HN 0.718 nan 8.270 nan 0.000 0.462 270 I N -2.243 117.921 120.570 -0.677 0.000 3.565 270 I HA 0.031 4.201 4.170 0.001 0.000 0.287 270 I C -0.245 175.605 176.117 -0.445 0.000 1.193 270 I CA -0.072 60.898 61.300 -0.550 0.000 1.402 270 I CB 0.541 38.214 38.000 -0.544 0.000 1.284 270 I HN -0.048 nan 8.210 nan 0.000 0.454 271 Y N 1.865 122.039 120.300 -0.210 0.000 2.320 271 Y HA 0.253 4.803 4.550 0.000 0.000 0.334 271 Y C -1.701 174.134 175.900 -0.108 0.000 1.055 271 Y CA -1.850 56.179 58.100 -0.119 0.000 1.143 271 Y CB 0.648 39.053 38.460 -0.091 0.000 1.193 271 Y HN -0.153 nan 8.280 nan 0.000 0.477 272 P HA -0.122 nan 4.420 nan 0.000 0.205 272 P C 1.405 178.721 177.300 0.027 0.000 1.203 272 P CA 1.772 64.897 63.100 0.042 0.000 0.926 272 P CB -0.019 31.729 31.700 0.079 0.000 0.767 273 G N -0.077 108.744 108.800 0.034 0.000 2.736 273 G HA2 -0.139 3.821 3.960 0.001 0.000 0.206 273 G HA3 -0.139 3.821 3.960 0.001 0.000 0.206 273 G C 0.647 175.535 174.900 -0.020 0.000 1.158 273 G CA 0.018 45.119 45.100 0.002 0.000 0.801 273 G HN 0.177 nan 8.290 nan 0.000 0.528 274 I N 0.553 121.110 120.570 -0.021 0.000 2.754 274 I HA 0.208 4.378 4.170 0.001 0.000 0.285 274 I C 0.103 176.185 176.117 -0.058 0.000 1.166 274 I CA 0.726 61.996 61.300 -0.049 0.000 1.417 274 I CB 0.842 38.808 38.000 -0.056 0.000 1.382 274 I HN 0.167 nan 8.210 nan 0.000 0.588 275 K N 4.738 125.097 120.400 -0.069 0.000 2.557 275 K HA 0.373 4.694 4.320 0.001 0.000 0.261 275 K C -0.712 175.842 176.600 -0.078 0.000 0.932 275 K CA -0.509 55.737 56.287 -0.067 0.000 0.829 275 K CB 2.450 34.916 32.500 -0.058 0.000 1.358 275 K HN 0.288 nan 8.250 nan 0.000 0.430 276 V N 2.516 122.384 119.914 -0.076 0.000 3.486 276 V HA 0.052 4.173 4.120 0.001 0.000 0.335 276 V C 0.965 177.016 176.094 -0.073 0.000 1.506 276 V CA 0.106 62.356 62.300 -0.082 0.000 1.206 276 V CB 0.008 31.778 31.823 -0.088 0.000 1.049 276 V HN 0.733 nan 8.190 nan 0.000 0.502 277 R N -0.711 119.751 120.500 -0.063 0.000 2.073 277 R HA -0.081 4.260 4.340 0.001 0.000 0.229 277 R C 1.991 178.256 176.300 -0.058 0.000 1.120 277 R CA 1.274 57.342 56.100 -0.054 0.000 0.967 277 R CB -0.249 30.024 30.300 -0.045 0.000 0.862 277 R HN 0.373 nan 8.270 nan 0.000 0.436 278 Q N 1.399 121.159 119.800 -0.066 0.000 2.014 278 Q HA -0.137 4.204 4.340 0.001 0.000 0.207 278 Q C 2.231 178.180 176.000 -0.084 0.000 0.993 278 Q CA 1.853 57.613 55.803 -0.072 0.000 0.850 278 Q CB -0.415 28.275 28.738 -0.080 0.000 0.916 278 Q HN 0.417 nan 8.270 nan 0.000 0.417 279 L N -1.896 119.264 121.223 -0.105 0.000 2.179 279 L HA -0.011 4.330 4.340 0.001 0.000 0.208 279 L C 2.632 179.448 176.870 -0.090 0.000 1.096 279 L CA 0.698 55.462 54.840 -0.125 0.000 0.779 279 L CB -0.984 40.968 42.059 -0.178 0.000 0.922 279 L HN 0.143 nan 8.230 nan 0.000 0.443 280 C N 0.584 119.841 119.300 -0.073 0.000 2.411 280 C HA -0.135 4.325 4.460 0.001 0.000 0.279 280 C C 2.946 177.911 174.990 -0.041 0.000 1.288 280 C CA 0.901 59.888 59.018 -0.051 0.000 1.764 280 C CB -0.643 27.069 27.740 -0.046 0.000 1.974 280 C HN 0.470 nan 8.230 nan 0.000 0.498 281 K N 0.185 120.559 120.400 -0.045 0.000 1.990 281 K HA -0.240 4.080 4.320 0.001 0.000 0.225 281 K C 1.539 178.121 176.600 -0.030 0.000 1.053 281 K CA 1.994 58.260 56.287 -0.036 0.000 0.982 281 K CB -0.526 31.951 32.500 -0.039 0.000 0.734 281 K HN 0.364 nan 8.250 nan 0.000 0.448 282 L N 0.962 122.163 121.223 -0.037 0.000 2.386 282 L HA -0.221 4.119 4.340 0.001 0.000 0.220 282 L C 1.896 178.757 176.870 -0.015 0.000 1.115 282 L CA 1.392 56.215 54.840 -0.027 0.000 0.780 282 L CB -0.700 41.337 42.059 -0.037 0.000 0.902 282 L HN 0.205 nan 8.230 nan 0.000 0.442 283 L N -0.582 120.631 121.223 -0.015 0.000 2.592 283 L HA 0.074 4.414 4.340 0.001 0.000 0.227 283 L C 1.501 178.371 176.870 -0.001 0.000 1.127 283 L CA -0.101 54.736 54.840 -0.005 0.000 0.884 283 L CB -0.303 41.754 42.059 -0.004 0.000 1.065 283 L HN 0.230 nan 8.230 nan 0.000 0.457 284 R N 1.241 121.738 120.500 -0.005 0.000 2.609 284 R HA 0.367 4.707 4.340 0.001 0.000 0.271 284 R C -0.169 176.132 176.300 0.000 0.000 1.403 284 R CA 0.450 56.548 56.100 -0.002 0.000 1.138 284 R CB -0.198 30.099 30.300 -0.006 0.000 1.142 284 R HN 0.149 nan 8.270 nan 0.000 0.559 285 G N 0.464 109.266 108.800 0.004 0.000 2.677 285 G HA2 0.336 4.296 3.960 0.001 0.000 0.283 285 G HA3 0.336 4.296 3.960 0.001 0.000 0.283 285 G C -0.982 173.923 174.900 0.008 0.000 1.221 285 G CA -0.224 44.879 45.100 0.006 0.000 0.851 285 G HN 0.219 nan 8.290 nan 0.000 0.504 286 T N 0.019 114.578 114.554 0.009 0.000 4.713 286 T HA 0.259 4.610 4.350 0.001 0.000 0.291 286 T C -0.291 174.415 174.700 0.011 0.000 0.916 286 T CA -0.533 61.574 62.100 0.010 0.000 0.980 286 T CB -0.030 68.843 68.868 0.009 0.000 0.915 286 T HN 0.414 nan 8.240 nan 0.000 0.429 287 K N 1.732 122.139 120.400 0.012 0.000 2.144 287 K HA 0.759 5.079 4.320 0.001 0.000 0.270 287 K C 0.510 177.120 176.600 0.016 0.000 1.005 287 K CA -0.531 55.764 56.287 0.014 0.000 0.932 287 K CB 1.155 33.664 32.500 0.016 0.000 1.021 287 K HN 0.430 nan 8.250 nan 0.000 0.462 288 A N 2.281 125.111 122.820 0.016 0.000 2.425 288 A HA 0.119 4.440 4.320 0.001 0.000 0.249 288 A C 0.874 178.470 177.584 0.021 0.000 1.084 288 A CA -0.272 51.775 52.037 0.016 0.000 0.781 288 A CB -0.089 18.919 19.000 0.014 0.000 1.019 288 A HN 0.713 nan 8.150 nan 0.000 0.490 289 L N 2.173 123.409 121.223 0.023 0.000 2.478 289 L HA 0.039 4.379 4.340 0.001 0.000 0.223 289 L C 2.192 179.080 176.870 0.030 0.000 1.140 289 L CA 1.622 56.480 54.840 0.030 0.000 0.842 289 L CB -1.436 40.641 42.059 0.031 0.000 0.953 289 L HN 0.798 nan 8.230 nan 0.000 0.452 290 T N -2.924 111.643 114.554 0.022 0.000 3.023 290 T HA -0.077 4.273 4.350 0.001 0.000 0.266 290 T C 0.844 175.558 174.700 0.023 0.000 1.093 290 T CA 0.080 62.192 62.100 0.019 0.000 1.129 290 T CB -0.377 68.498 68.868 0.011 0.000 0.899 290 T HN 0.437 nan 8.240 nan 0.000 0.491 291 E N 1.417 121.633 120.200 0.026 0.000 2.415 291 E HA 0.224 4.574 4.350 0.001 0.000 0.263 291 E C -0.451 176.172 176.600 0.039 0.000 0.995 291 E CA -0.271 56.145 56.400 0.027 0.000 0.915 291 E CB 0.950 30.665 29.700 0.024 0.000 0.951 291 E HN 0.214 nan 8.360 nan 0.000 0.449 292 V N 5.509 125.446 119.914 0.039 0.000 3.003 292 V HA 0.284 4.404 4.120 0.001 0.000 0.305 292 V C 0.571 176.700 176.094 0.059 0.000 1.078 292 V CA 0.029 62.362 62.300 0.056 0.000 1.083 292 V CB 0.951 32.804 31.823 0.048 0.000 1.039 292 V HN 0.573 nan 8.190 nan 0.000 0.481 293 I N 3.723 124.343 120.570 0.083 0.000 2.644 293 I HA 0.359 4.530 4.170 0.001 0.000 0.291 293 I C -2.500 173.666 176.117 0.080 0.000 1.180 293 I CA -1.652 59.688 61.300 0.066 0.000 1.040 293 I CB 3.027 41.058 38.000 0.051 0.000 1.255 293 I HN 0.503 nan 8.210 nan 0.000 0.422 294 P HA 0.202 nan 4.420 nan 0.000 0.272 294 P C -1.212 176.099 177.300 0.017 0.000 1.223 294 P CA -0.443 62.687 63.100 0.048 0.000 0.784 294 P CB 0.551 32.268 31.700 0.029 0.000 0.923 295 L N 0.820 122.049 121.223 0.010 0.000 2.272 295 L HA 0.335 4.675 4.340 0.001 0.000 0.284 295 L C 0.522 177.365 176.870 -0.044 0.000 1.045 295 L CA -0.334 54.472 54.840 -0.056 0.000 0.842 295 L CB -0.918 41.076 42.059 -0.109 0.000 1.224 295 L HN 0.161 nan 8.230 nan 0.000 0.430 296 T N 1.157 115.682 114.554 -0.048 0.000 2.792 296 T HA 0.011 4.362 4.350 0.001 0.000 0.286 296 T C 1.312 175.984 174.700 -0.047 0.000 0.970 296 T CA 0.013 62.090 62.100 -0.038 0.000 1.187 296 T CB 0.176 69.023 68.868 -0.036 0.000 0.915 296 T HN 0.688 nan 8.240 nan 0.000 0.529 297 E N 2.670 122.850 120.200 -0.033 0.000 2.217 297 E HA -0.338 4.013 4.350 0.001 0.000 0.219 297 E C 1.887 178.462 176.600 -0.042 0.000 1.070 297 E CA 2.255 58.636 56.400 -0.032 0.000 0.889 297 E CB -0.250 29.438 29.700 -0.019 0.000 0.768 297 E HN 0.829 nan 8.360 nan 0.000 0.465 298 E N 0.409 120.584 120.200 -0.041 0.000 2.219 298 E HA -0.223 4.128 4.350 0.001 0.000 0.198 298 E C 1.914 178.477 176.600 -0.062 0.000 0.998 298 E CA 1.122 57.495 56.400 -0.045 0.000 0.818 298 E CB -0.205 29.470 29.700 -0.040 0.000 0.741 298 E HN 0.390 nan 8.360 nan 0.000 0.477 299 A N 1.294 124.067 122.820 -0.079 0.000 2.030 299 A HA -0.082 4.238 4.320 0.001 0.000 0.215 299 A C 1.873 179.379 177.584 -0.129 0.000 1.164 299 A CA 0.444 52.413 52.037 -0.114 0.000 0.697 299 A CB 0.042 18.957 19.000 -0.142 0.000 0.827 299 A HN 0.055 nan 8.150 nan 0.000 0.457 300 E N -0.151 119.989 120.200 -0.100 0.000 2.274 300 E HA -0.095 4.255 4.350 0.001 0.000 0.194 300 E C 1.459 178.023 176.600 -0.061 0.000 0.996 300 E CA 0.553 56.905 56.400 -0.081 0.000 0.840 300 E CB -0.169 29.505 29.700 -0.042 0.000 0.772 300 E HN 0.434 nan 8.360 nan 0.000 0.491 301 L N 1.216 122.404 121.223 -0.058 0.000 2.068 301 L HA -0.077 4.263 4.340 0.001 0.000 0.204 301 L C 2.408 179.245 176.870 -0.056 0.000 1.076 301 L CA 1.517 56.329 54.840 -0.047 0.000 0.753 301 L CB -0.791 41.244 42.059 -0.041 0.000 0.910 301 L HN 0.110 nan 8.230 nan 0.000 0.439 302 E N -0.222 119.936 120.200 -0.070 0.000 2.047 302 E HA -0.231 4.120 4.350 0.001 0.000 0.191 302 E C 2.395 178.943 176.600 -0.087 0.000 0.987 302 E CA 1.017 57.372 56.400 -0.076 0.000 0.799 302 E CB -0.112 29.536 29.700 -0.086 0.000 0.752 302 E HN 0.372 nan 8.360 nan 0.000 0.449 303 L N 0.578 121.736 121.223 -0.108 0.000 1.990 303 L HA -0.255 4.085 4.340 0.001 0.000 0.213 303 L C 2.506 179.332 176.870 -0.074 0.000 1.072 303 L CA 1.974 56.744 54.840 -0.116 0.000 0.755 303 L CB -0.366 41.599 42.059 -0.157 0.000 0.889 303 L HN 0.244 nan 8.230 nan 0.000 0.432 304 A N -0.446 122.341 122.820 -0.056 0.000 1.898 304 A HA -0.284 4.036 4.320 0.001 0.000 0.216 304 A C 2.139 179.697 177.584 -0.044 0.000 1.181 304 A CA 1.681 53.696 52.037 -0.037 0.000 0.620 304 A CB -0.747 18.239 19.000 -0.024 0.000 0.819 304 A HN 0.676 nan 8.150 nan 0.000 0.442 305 E N 0.348 120.518 120.200 -0.049 0.000 2.097 305 E HA -0.279 4.071 4.350 0.001 0.000 0.196 305 E C 1.620 178.183 176.600 -0.062 0.000 1.000 305 E CA 1.770 58.140 56.400 -0.049 0.000 0.804 305 E CB -0.286 29.386 29.700 -0.047 0.000 0.740 305 E HN 0.582 nan 8.360 nan 0.000 0.454 306 N N 0.568 119.224 118.700 -0.073 0.000 2.106 306 N HA -0.124 4.617 4.740 0.001 0.000 0.188 306 N C 1.870 177.314 175.510 -0.110 0.000 1.029 306 N CA 1.113 54.105 53.050 -0.096 0.000 0.848 306 N CB -0.389 38.039 38.487 -0.098 0.000 1.007 306 N HN 0.228 nan 8.380 nan 0.000 0.423 307 R N 0.906 121.360 120.500 -0.078 0.000 2.103 307 R HA -0.134 4.206 4.340 0.001 0.000 0.242 307 R C 1.799 178.056 176.300 -0.073 0.000 1.142 307 R CA 1.167 57.229 56.100 -0.064 0.000 0.960 307 R CB -0.107 30.176 30.300 -0.027 0.000 0.858 307 R HN 0.192 nan 8.270 nan 0.000 0.439 308 E N 0.615 120.777 120.200 -0.063 0.000 2.031 308 E HA -0.140 4.211 4.350 0.001 0.000 0.193 308 E C 1.954 178.507 176.600 -0.079 0.000 0.994 308 E CA 1.143 57.511 56.400 -0.054 0.000 0.800 308 E CB -0.328 29.347 29.700 -0.041 0.000 0.752 308 E HN 0.295 nan 8.360 nan 0.000 0.447 309 I N 0.610 121.116 120.570 -0.106 0.000 2.118 309 I HA -0.323 3.848 4.170 0.001 0.000 0.241 309 I C 2.241 178.196 176.117 -0.269 0.000 1.070 309 I CA 1.084 62.298 61.300 -0.143 0.000 1.327 309 I CB -0.549 37.366 38.000 -0.141 0.000 1.034 309 I HN 0.080 nan 8.210 nan 0.000 0.405 310 L N 0.589 121.592 121.223 -0.366 0.000 2.369 310 L HA -0.223 4.117 4.340 0.001 0.000 0.220 310 L C 0.938 177.665 176.870 -0.238 0.000 1.119 310 L CA 1.403 55.962 54.840 -0.469 0.000 0.780 310 L CB -0.748 41.138 42.059 -0.289 0.000 0.906 310 L HN 0.390 nan 8.230 nan 0.000 0.442 311 K N -0.351 119.982 120.400 -0.111 0.000 3.010 311 K HA 0.313 4.633 4.320 0.001 0.000 0.211 311 K C -0.568 176.052 176.600 0.033 0.000 1.146 311 K CA 0.005 56.288 56.287 -0.007 0.000 1.070 311 K CB 0.558 33.058 32.500 0.000 0.000 0.908 311 K HN -0.119 nan 8.250 nan 0.000 0.463 312 E N 1.154 121.398 120.200 0.072 0.000 2.551 312 E HA 0.129 4.479 4.350 0.001 0.000 0.321 312 E C -2.601 174.151 176.600 0.254 0.000 0.975 312 E CA -1.975 54.497 56.400 0.119 0.000 0.784 312 E CB 1.320 31.052 29.700 0.054 0.000 1.493 312 E HN -0.106 nan 8.360 nan 0.000 0.385 313 P HA -0.261 nan 4.420 nan 0.000 0.020 313 P C 0.900 178.251 177.300 0.084 0.000 0.571 313 P CA 0.835 64.025 63.100 0.150 0.000 1.026 313 P CB -0.643 31.120 31.700 0.105 0.000 1.881 314 V N -2.757 117.175 119.914 0.030 0.000 0.665 314 V HA -0.464 3.656 4.120 0.001 0.000 0.092 314 V C 1.608 177.714 176.094 0.020 0.000 1.156 314 V CA 2.559 64.684 62.300 -0.292 0.000 3.182 314 V CB -1.668 29.940 31.823 -0.358 0.000 0.390 314 V HN 0.779 nan 8.190 nan 0.000 0.374 315 H N -2.102 116.883 119.070 -0.141 0.000 1.796 315 H HA -0.089 4.467 4.556 0.000 0.000 0.115 315 H C 1.339 176.557 175.328 -0.184 0.000 1.077 315 H CA 0.741 56.727 56.048 -0.105 0.000 0.412 315 H CB -0.914 28.828 29.762 -0.033 0.000 0.313 315 H HN 0.850 nan 8.280 nan 0.000 0.206 316 G N 2.375 110.938 108.800 -0.395 0.000 3.448 316 G HA2 0.367 4.327 3.960 0.001 0.000 0.261 316 G HA3 0.367 4.327 3.960 0.001 0.000 0.261 316 G C 0.155 174.827 174.900 -0.380 0.000 1.173 316 G CA 0.634 45.478 45.100 -0.427 0.000 0.835 316 G HN 0.359 nan 8.290 nan 0.000 0.534 317 V N -1.050 118.564 119.914 -0.501 0.000 2.350 317 V HA 0.762 4.882 4.120 0.001 0.000 0.276 317 V C -1.416 174.350 176.094 -0.546 0.000 1.028 317 V CA -1.288 60.786 62.300 -0.375 0.000 0.860 317 V CB 0.261 31.968 31.823 -0.193 0.000 0.990 317 V HN 0.196 nan 8.190 nan 0.000 0.453 318 Y N 4.114 124.430 120.300 0.028 0.000 2.477 318 Y HA 0.439 4.989 4.550 0.000 0.000 0.347 318 Y C -0.401 175.533 175.900 0.057 0.000 0.981 318 Y CA -1.059 57.085 58.100 0.074 0.000 1.033 318 Y CB 2.055 40.542 38.460 0.045 0.000 1.245 318 Y HN 0.769 nan 8.280 nan 0.000 0.455 319 Y N 3.414 123.846 120.300 0.221 0.000 2.713 319 Y HA 0.049 4.599 4.550 0.000 0.000 0.341 319 Y C -0.254 175.673 175.900 0.044 0.000 1.167 319 Y CA -0.220 57.927 58.100 0.079 0.000 1.503 319 Y CB 0.067 38.646 38.460 0.198 0.000 1.199 319 Y HN 0.508 nan 8.280 nan 0.000 0.525 320 D N 8.902 128.893 120.400 -0.681 0.000 2.427 320 D HA 0.306 4.946 4.640 0.001 0.000 0.226 320 D C -2.239 173.596 176.300 -0.775 0.000 1.076 320 D CA -2.749 50.946 54.000 -0.508 0.000 0.849 320 D CB 1.856 42.492 40.800 -0.274 0.000 1.052 320 D HN 0.281 nan 8.370 nan 0.000 0.515 321 P HA -0.146 nan 4.420 nan 0.000 0.219 321 P C 1.271 178.492 177.300 -0.132 0.000 1.146 321 P CA 1.046 64.020 63.100 -0.210 0.000 0.808 321 P CB 0.176 31.933 31.700 0.095 0.000 0.779 322 S N -1.685 113.919 115.700 -0.159 0.000 2.406 322 S HA -0.042 4.428 4.470 0.001 0.000 0.228 322 S C 0.987 175.508 174.600 -0.132 0.000 1.020 322 S CA 0.654 58.786 58.200 -0.113 0.000 0.965 322 S CB -0.663 62.477 63.200 -0.100 0.000 0.798 322 S HN 0.081 nan 8.310 nan 0.000 0.488 323 K N 1.855 122.132 120.400 -0.206 0.000 2.144 323 K HA 0.310 4.630 4.320 0.001 0.000 0.270 323 K C -0.785 175.692 176.600 -0.204 0.000 1.005 323 K CA -0.637 55.529 56.287 -0.203 0.000 0.932 323 K CB 0.517 32.883 32.500 -0.224 0.000 1.021 323 K HN 0.199 nan 8.250 nan 0.000 0.462 324 D N 1.067 121.370 120.400 -0.161 0.000 2.354 324 D HA 0.075 4.715 4.640 0.001 0.000 0.238 324 D C -0.216 175.940 176.300 -0.241 0.000 1.250 324 D CA -0.014 53.891 54.000 -0.158 0.000 0.911 324 D CB 0.437 41.152 40.800 -0.141 0.000 1.163 324 D HN -0.005 nan 8.370 nan 0.000 0.456 325 L N 0.689 121.752 121.223 -0.267 0.000 2.330 325 L HA 0.562 4.903 4.340 0.001 0.000 0.271 325 L C -0.326 176.272 176.870 -0.453 0.000 1.013 325 L CA -0.577 54.029 54.840 -0.390 0.000 0.816 325 L CB 1.426 43.255 42.059 -0.383 0.000 1.287 325 L HN 0.349 nan 8.230 nan 0.000 0.435 326 I N 1.260 121.457 120.570 -0.623 0.000 2.730 326 I HA 0.726 4.896 4.170 0.001 0.000 0.298 326 I C -0.734 174.925 176.117 -0.764 0.000 1.089 326 I CA -0.446 60.426 61.300 -0.714 0.000 1.041 326 I CB 2.212 39.704 38.000 -0.847 0.000 1.235 326 I HN 0.661 nan 8.210 nan 0.000 0.423 327 A N 5.103 127.539 122.820 -0.641 0.000 2.381 327 A HA 0.722 5.042 4.320 0.001 0.000 0.299 327 A C -1.071 176.414 177.584 -0.165 0.000 1.049 327 A CA -0.534 51.223 52.037 -0.468 0.000 0.715 327 A CB 1.004 19.498 19.000 -0.844 0.000 1.222 327 A HN 0.688 nan 8.150 nan 0.000 0.428 328 E N 1.512 121.758 120.200 0.077 0.000 2.212 328 E HA 0.701 5.051 4.350 0.001 0.000 0.270 328 E C -1.029 175.709 176.600 0.229 0.000 0.956 328 E CA -0.603 55.903 56.400 0.177 0.000 0.825 328 E CB 2.187 32.035 29.700 0.246 0.000 1.167 328 E HN 0.575 nan 8.360 nan 0.000 0.400 329 I N 2.160 122.874 120.570 0.240 0.000 2.571 329 I HA 0.192 4.362 4.170 0.001 0.000 0.289 329 I C -0.969 175.325 176.117 0.295 0.000 1.115 329 I CA -0.764 60.720 61.300 0.306 0.000 1.045 329 I CB 1.961 40.141 38.000 0.300 0.000 1.238 329 I HN 0.401 nan 8.210 nan 0.000 0.424 330 Q N 4.405 124.374 119.800 0.283 0.000 2.274 330 Q HA 0.394 4.734 4.340 0.001 0.000 0.260 330 Q C -0.513 175.535 176.000 0.079 0.000 0.974 330 Q CA -0.686 55.218 55.803 0.168 0.000 0.876 330 Q CB 2.692 31.482 28.738 0.087 0.000 1.297 330 Q HN 0.353 nan 8.270 nan 0.000 0.446 331 K N 1.950 122.264 120.400 -0.144 0.000 2.276 331 K HA 0.105 4.425 4.320 0.001 0.000 0.285 331 K C -0.057 176.270 176.600 -0.456 0.000 1.062 331 K CA -0.074 55.810 56.287 -0.671 0.000 0.918 331 K CB 0.703 32.772 32.500 -0.718 0.000 1.055 331 K HN 0.605 nan 8.250 nan 0.000 0.477 332 Q N 2.462 121.959 119.800 -0.505 0.000 2.319 332 Q HA 0.135 4.475 4.340 0.001 0.000 0.209 332 Q C 0.564 176.404 176.000 -0.266 0.000 0.884 332 Q CA 0.479 56.112 55.803 -0.284 0.000 0.938 332 Q CB 0.969 29.608 28.738 -0.165 0.000 1.098 332 Q HN 1.016 nan 8.270 nan 0.000 0.517 333 G N 1.540 110.126 108.800 -0.357 0.000 2.814 333 G HA2 -0.291 3.669 3.960 0.001 0.000 0.677 333 G HA3 -0.291 3.669 3.960 0.001 0.000 0.677 333 G C -0.376 174.421 174.900 -0.171 0.000 1.429 333 G CA -0.099 44.859 45.100 -0.236 0.000 0.868 333 G HN 0.231 nan 8.290 nan 0.000 0.553 334 Q N -1.969 117.767 119.800 -0.106 0.000 2.489 334 Q HA -0.039 4.302 4.340 0.001 0.000 0.259 334 Q C 2.144 178.107 176.000 -0.061 0.000 0.934 334 Q CA 2.832 58.594 55.803 -0.069 0.000 1.131 334 Q CB -1.729 26.971 28.738 -0.063 0.000 1.472 334 Q HN 2.856 nan 8.270 nan 0.000 0.560 335 G N -1.680 107.094 108.800 -0.045 0.000 2.162 335 G HA2 -0.352 3.608 3.960 0.001 0.000 0.260 335 G HA3 -0.352 3.608 3.960 0.001 0.000 0.260 335 G C 0.035 175.012 174.900 0.129 0.000 0.976 335 G CA 0.509 45.645 45.100 0.060 0.000 0.655 335 G HN 0.327 nan 8.290 nan 0.000 0.533 336 Q N -1.296 118.489 119.800 -0.025 0.000 2.227 336 Q HA 0.647 4.987 4.340 0.001 0.000 0.245 336 Q C -0.581 175.334 176.000 -0.140 0.000 0.926 336 Q CA -0.031 55.786 55.803 0.024 0.000 0.895 336 Q CB 1.289 30.001 28.738 -0.044 0.000 1.230 336 Q HN 0.397 nan 8.270 nan 0.000 0.450 337 W N -0.212 121.164 121.300 0.126 0.000 3.479 337 W HA 0.260 4.921 4.660 0.000 0.000 0.304 337 W C -0.681 175.956 176.519 0.195 0.000 1.243 337 W CA -0.445 57.001 57.345 0.168 0.000 1.202 337 W CB 1.218 30.823 29.460 0.243 0.000 1.346 337 W HN 0.496 nan 8.180 nan 0.000 0.539 338 T N -0.350 114.420 114.554 0.359 0.000 2.942 338 T HA 0.859 5.209 4.350 0.001 0.000 0.289 338 T C -1.236 173.648 174.700 0.307 0.000 1.044 338 T CA -0.851 61.393 62.100 0.239 0.000 1.023 338 T CB 2.097 71.031 68.868 0.110 0.000 1.123 338 T HN 0.473 nan 8.240 nan 0.000 0.512 339 Y N -1.155 119.191 120.300 0.077 0.000 2.513 339 Y HA 0.764 5.314 4.550 0.001 0.000 0.340 339 Y C -1.531 174.366 175.900 -0.006 0.000 1.055 339 Y CA -1.401 56.734 58.100 0.058 0.000 1.020 339 Y CB 1.456 39.991 38.460 0.125 0.000 1.301 339 Y HN 0.519 nan 8.280 nan 0.000 0.453 340 Q N 3.619 123.524 119.800 0.175 0.000 2.340 340 Q HA 0.691 5.032 4.340 0.001 0.000 0.268 340 Q C -1.403 174.760 176.000 0.272 0.000 1.031 340 Q CA -0.516 55.386 55.803 0.164 0.000 0.804 340 Q CB 2.952 31.759 28.738 0.115 0.000 1.286 340 Q HN 0.797 nan 8.270 nan 0.000 0.448 341 I N 3.755 124.474 120.570 0.248 0.000 2.406 341 I HA 0.552 4.723 4.170 0.001 0.000 0.290 341 I C -1.104 175.067 176.117 0.090 0.000 0.999 341 I CA -0.942 60.395 61.300 0.062 0.000 1.124 341 I CB 0.819 38.879 38.000 0.100 0.000 1.289 341 I HN 0.648 nan 8.210 nan 0.000 0.441 342 Y N 2.678 122.890 120.300 -0.147 0.000 2.670 342 Y HA 0.506 5.056 4.550 0.001 0.000 0.334 342 Y C -0.141 175.632 175.900 -0.212 0.000 1.185 342 Y CA -0.878 57.130 58.100 -0.152 0.000 1.053 342 Y CB 1.185 39.604 38.460 -0.068 0.000 1.298 342 Y HN 0.387 nan 8.280 nan 0.000 0.459 343 Q N -0.198 119.552 119.800 -0.084 0.000 2.481 343 Q HA 0.243 4.584 4.340 0.001 0.000 0.219 343 Q C -0.505 175.495 176.000 -0.001 0.000 0.920 343 Q CA 0.309 56.009 55.803 -0.172 0.000 0.915 343 Q CB 0.755 29.358 28.738 -0.225 0.000 1.057 343 Q HN 0.661 nan 8.270 nan 0.000 0.581 344 E N 2.229 122.488 120.200 0.097 0.000 2.141 344 E HA 0.226 4.576 4.350 0.001 0.000 0.259 344 E C -2.575 174.086 176.600 0.100 0.000 0.883 344 E CA -2.322 54.133 56.400 0.091 0.000 0.744 344 E CB 1.593 31.292 29.700 -0.001 0.000 1.150 344 E HN 0.080 nan 8.360 nan 0.000 0.420 345 P HA -0.220 nan 4.420 nan 0.000 0.259 345 P C 0.093 177.177 177.300 -0.360 0.000 1.111 345 P CA 0.839 63.716 63.100 -0.372 0.000 0.758 345 P CB 0.115 31.650 31.700 -0.275 0.000 0.693 346 F N -0.068 119.543 119.950 -0.563 0.000 2.466 346 F HA -0.211 4.316 4.527 0.001 0.000 0.630 346 F C 1.123 176.724 175.800 -0.331 0.000 0.498 346 F CA 1.249 58.985 58.000 -0.440 0.000 1.125 346 F CB -1.760 37.006 39.000 -0.390 0.000 1.909 346 F HN 0.324 nan 8.300 nan 0.000 0.260 347 K N 2.185 122.559 120.400 -0.044 0.000 2.121 347 K HA 0.119 4.439 4.320 0.001 0.000 0.235 347 K C -0.011 176.601 176.600 0.020 0.000 1.200 347 K CA -0.153 56.109 56.287 -0.041 0.000 1.115 347 K CB -0.276 32.211 32.500 -0.022 0.000 1.474 347 K HN 0.103 nan 8.250 nan 0.000 0.295 348 N N 2.150 120.849 118.700 -0.002 0.000 2.470 348 N HA 0.054 4.795 4.740 0.001 0.000 0.268 348 N C 0.536 176.096 175.510 0.083 0.000 1.136 348 N CA 0.060 53.167 53.050 0.095 0.000 0.961 348 N CB 0.890 39.438 38.487 0.101 0.000 1.067 348 N HN 0.326 nan 8.380 nan 0.000 0.468 349 L N 1.195 122.506 121.223 0.148 0.000 2.693 349 L HA 0.341 4.681 4.340 0.001 0.000 0.235 349 L C 0.502 177.586 176.870 0.356 0.000 1.127 349 L CA 0.206 55.181 54.840 0.225 0.000 0.914 349 L CB 0.123 42.330 42.059 0.247 0.000 1.193 349 L HN 0.307 nan 8.230 nan 0.000 0.502 350 K N 1.073 121.643 120.400 0.284 0.000 2.594 350 K HA 0.201 4.521 4.320 0.001 0.000 0.274 350 K C -1.329 175.379 176.600 0.181 0.000 1.025 350 K CA 0.144 56.607 56.287 0.294 0.000 1.010 350 K CB 1.603 34.430 32.500 0.546 0.000 1.377 350 K HN -0.076 nan 8.250 nan 0.000 0.429 351 T N 0.562 115.143 114.554 0.045 0.000 3.160 351 T HA 0.565 4.915 4.350 0.001 0.000 0.344 351 T C 0.176 174.669 174.700 -0.344 0.000 0.981 351 T CA -0.164 61.850 62.100 -0.144 0.000 1.170 351 T CB 1.066 69.916 68.868 -0.030 0.000 1.016 351 T HN 0.505 nan 8.240 nan 0.000 0.492 352 G N 1.770 110.012 108.800 -0.930 0.000 2.945 352 G HA2 0.790 4.750 3.960 0.001 0.000 0.156 352 G HA3 0.790 4.750 3.960 0.001 0.000 0.156 352 G C -0.685 173.742 174.900 -0.788 0.000 1.375 352 G CA -0.825 43.801 45.100 -0.790 0.000 1.039 352 G HN 0.928 nan 8.290 nan 0.000 0.586 353 K N -1.243 118.982 120.400 -0.291 0.000 2.594 353 K HA 0.158 4.478 4.320 0.001 0.000 0.262 353 K C -2.584 174.237 176.600 0.368 0.000 0.954 353 K CA -0.687 55.676 56.287 0.128 0.000 0.917 353 K CB 1.016 33.552 32.500 0.059 0.000 1.343 353 K HN 0.623 nan 8.250 nan 0.000 0.428 354 Y N 2.445 122.958 120.300 0.355 0.000 2.360 354 Y HA 0.693 5.244 4.550 0.000 0.000 0.337 354 Y C -1.143 174.907 175.900 0.250 0.000 1.039 354 Y CA -0.256 57.992 58.100 0.245 0.000 1.109 354 Y CB 1.891 40.448 38.460 0.162 0.000 1.201 354 Y HN 0.768 nan 8.280 nan 0.000 0.458 355 A N 6.402 128.906 122.820 -0.526 0.000 2.350 355 A HA 0.579 4.899 4.320 0.001 0.000 0.324 355 A C -0.776 176.441 177.584 -0.612 0.000 1.118 355 A CA -1.125 50.685 52.037 -0.378 0.000 0.783 355 A CB 0.779 19.684 19.000 -0.157 0.000 1.236 355 A HN 0.999 nan 8.150 nan 0.000 0.457 356 R N 1.945 122.306 120.500 -0.231 0.000 2.538 356 R HA 0.160 4.500 4.340 0.001 0.000 0.273 356 R C -0.765 175.441 176.300 -0.157 0.000 0.967 356 R CA 1.073 57.090 56.100 -0.137 0.000 1.101 356 R CB -0.229 30.039 30.300 -0.053 0.000 0.908 356 R HN 0.611 nan 8.270 nan 0.000 0.411 357 M N 6.143 125.688 119.600 -0.091 0.000 2.043 357 M HA 0.316 4.796 4.480 0.001 0.000 0.322 357 M C 0.266 176.544 176.300 -0.037 0.000 0.962 357 M CA -0.857 54.412 55.300 -0.051 0.000 0.927 357 M CB 1.598 34.195 32.600 -0.005 0.000 1.466 357 M HN 0.709 nan 8.290 nan 0.000 0.412 358 R N 1.834 122.298 120.500 -0.060 0.000 3.073 358 R HA 0.483 4.824 4.340 0.001 0.000 0.290 358 R C 0.539 176.859 176.300 0.033 0.000 1.130 358 R CA 1.229 57.303 56.100 -0.044 0.000 1.186 358 R CB 0.024 30.316 30.300 -0.015 0.000 1.166 358 R HN 0.872 nan 8.270 nan 0.000 0.563 359 G N -0.660 108.198 108.800 0.096 0.000 2.882 359 G HA2 -0.220 3.740 3.960 0.001 0.000 0.198 359 G HA3 -0.220 3.740 3.960 0.001 0.000 0.198 359 G C 0.003 174.952 174.900 0.082 0.000 1.977 359 G CA 0.148 45.295 45.100 0.078 0.000 1.541 359 G HN 1.011 nan 8.290 nan 0.000 0.567 360 A N 0.804 123.652 122.820 0.046 0.000 3.135 360 A HA 0.601 4.921 4.320 0.001 0.000 0.253 360 A C 0.916 178.524 177.584 0.040 0.000 1.638 360 A CA 1.119 53.172 52.037 0.027 0.000 1.295 360 A CB -0.936 18.046 19.000 -0.029 0.000 1.106 360 A HN 0.790 nan 8.150 nan 0.000 0.648 361 H N 1.117 120.181 119.070 -0.011 0.000 2.292 361 H HA -0.188 4.368 4.556 0.000 0.000 0.292 361 H C 1.862 177.191 175.328 0.001 0.000 1.100 361 H CA 2.800 58.848 56.048 -0.001 0.000 1.238 361 H CB 0.292 30.052 29.762 -0.003 0.000 1.355 361 H HN 0.524 nan 8.280 nan 0.000 0.484 362 T N -1.374 113.262 114.554 0.136 0.000 3.243 362 T HA 0.160 4.510 4.350 0.001 0.000 0.245 362 T C -0.371 174.332 174.700 0.005 0.000 1.263 362 T CA -0.796 61.344 62.100 0.067 0.000 1.228 362 T CB -0.498 68.415 68.868 0.075 0.000 1.097 362 T HN 0.178 nan 8.240 nan 0.000 0.628 363 N N 1.263 119.948 118.700 -0.025 0.000 2.626 363 N HA 0.289 5.029 4.740 0.001 0.000 0.249 363 N C 0.062 175.536 175.510 -0.060 0.000 1.021 363 N CA -0.440 52.549 53.050 -0.102 0.000 0.886 363 N CB 1.751 40.105 38.487 -0.222 0.000 1.149 363 N HN 0.249 nan 8.380 nan 0.000 0.517 364 D N 1.620 122.034 120.400 0.024 0.000 2.178 364 D HA -0.064 4.576 4.640 0.001 0.000 0.202 364 D C 1.669 178.039 176.300 0.117 0.000 0.974 364 D CA 0.988 55.109 54.000 0.202 0.000 0.841 364 D CB 0.619 41.538 40.800 0.198 0.000 0.953 364 D HN 0.312 nan 8.370 nan 0.000 0.478 365 V N 0.391 120.284 119.914 -0.035 0.000 2.535 365 V HA -0.086 4.034 4.120 0.001 0.000 0.246 365 V C 2.362 178.286 176.094 -0.283 0.000 1.045 365 V CA 0.884 63.153 62.300 -0.051 0.000 1.058 365 V CB -0.263 31.570 31.823 0.017 0.000 0.689 365 V HN 0.129 nan 8.190 nan 0.000 0.461 366 K N 0.129 120.167 120.400 -0.603 0.000 2.152 366 K HA -0.219 4.101 4.320 0.001 0.000 0.206 366 K C 2.153 178.522 176.600 -0.385 0.000 1.048 366 K CA 1.697 57.463 56.287 -0.869 0.000 0.933 366 K CB -0.031 31.959 32.500 -0.849 0.000 0.721 366 K HN 0.545 nan 8.250 nan 0.000 0.447 367 Q N -0.096 119.541 119.800 -0.272 0.000 2.062 367 Q HA -0.092 4.248 4.340 0.001 0.000 0.196 367 Q C 2.020 177.612 176.000 -0.679 0.000 0.967 367 Q CA 0.718 56.341 55.803 -0.300 0.000 0.832 367 Q CB -0.067 28.642 28.738 -0.049 0.000 0.899 367 Q HN 0.101 nan 8.270 nan 0.000 0.442 368 L N 0.834 121.619 121.223 -0.731 0.000 2.046 368 L HA -0.190 4.150 4.340 0.001 0.000 0.208 368 L C 2.498 179.217 176.870 -0.251 0.000 1.077 368 L CA 2.500 56.923 54.840 -0.694 0.000 0.747 368 L CB -1.083 40.827 42.059 -0.249 0.000 0.896 368 L HN 0.378 nan 8.230 nan 0.000 0.432 369 T N -2.388 112.146 114.554 -0.034 0.000 2.788 369 T HA -0.199 4.151 4.350 0.001 0.000 0.268 369 T C 1.559 176.184 174.700 -0.124 0.000 1.044 369 T CA 1.466 63.641 62.100 0.124 0.000 1.139 369 T CB -0.564 68.412 68.868 0.180 0.000 0.867 369 T HN 0.633 nan 8.240 nan 0.000 0.454 370 E N 1.570 121.575 120.200 -0.324 0.000 2.150 370 E HA 0.046 4.396 4.350 0.001 0.000 0.193 370 E C 2.553 178.729 176.600 -0.705 0.000 0.985 370 E CA 1.037 57.155 56.400 -0.470 0.000 0.814 370 E CB -0.385 29.049 29.700 -0.445 0.000 0.752 370 E HN 0.742 nan 8.360 nan 0.000 0.466 371 A N 1.524 123.815 122.820 -0.881 0.000 1.970 371 A HA -0.011 4.309 4.320 0.001 0.000 0.216 371 A C 2.506 179.818 177.584 -0.453 0.000 1.170 371 A CA 0.496 52.061 52.037 -0.787 0.000 0.645 371 A CB -0.413 18.195 19.000 -0.654 0.000 0.816 371 A HN 0.104 nan 8.150 nan 0.000 0.447 372 V N 0.319 119.996 119.914 -0.395 0.000 2.407 372 V HA -0.300 3.820 4.120 0.001 0.000 0.248 372 V C 2.531 178.491 176.094 -0.224 0.000 1.055 372 V CA 2.307 64.326 62.300 -0.469 0.000 1.049 372 V CB -0.786 30.828 31.823 -0.347 0.000 0.662 372 V HN 0.707 nan 8.190 nan 0.000 0.455 373 Q N -0.310 119.383 119.800 -0.178 0.000 2.269 373 Q HA -0.113 4.227 4.340 0.001 0.000 0.201 373 Q C 2.241 178.238 176.000 -0.005 0.000 0.946 373 Q CA 0.955 56.745 55.803 -0.023 0.000 0.877 373 Q CB -0.169 28.407 28.738 -0.270 0.000 0.963 373 Q HN 0.585 nan 8.270 nan 0.000 0.472 374 K N 1.515 121.825 120.400 -0.150 0.000 2.002 374 K HA -0.161 4.160 4.320 0.001 0.000 0.209 374 K C 1.872 178.383 176.600 -0.148 0.000 1.048 374 K CA 1.284 57.508 56.287 -0.105 0.000 0.930 374 K CB -0.064 32.369 32.500 -0.112 0.000 0.714 374 K HN 0.120 nan 8.250 nan 0.000 0.438 375 I N 1.105 121.518 120.570 -0.262 0.000 2.286 375 I HA -0.244 3.926 4.170 0.001 0.000 0.248 375 I C 2.242 178.337 176.117 -0.035 0.000 1.115 375 I CA 1.391 62.523 61.300 -0.280 0.000 1.392 375 I CB -0.386 37.432 38.000 -0.303 0.000 1.065 375 I HN 0.225 nan 8.210 nan 0.000 0.418 376 T N -0.153 114.447 114.554 0.076 0.000 2.708 376 T HA -0.175 4.175 4.350 0.001 0.000 0.266 376 T C 1.963 176.593 174.700 -0.116 0.000 1.037 376 T CA 2.059 64.143 62.100 -0.026 0.000 1.146 376 T CB -0.458 68.283 68.868 -0.212 0.000 0.865 376 T HN 0.355 nan 8.240 nan 0.000 0.435 377 T N 2.644 117.237 114.554 0.066 0.000 2.635 377 T HA -0.163 4.187 4.350 0.001 0.000 0.267 377 T C 1.952 176.713 174.700 0.101 0.000 1.040 377 T CA 1.595 63.807 62.100 0.187 0.000 1.156 377 T CB -0.410 68.637 68.868 0.299 0.000 0.863 377 T HN 0.626 nan 8.240 nan 0.000 0.430 378 E N 1.259 121.451 120.200 -0.014 0.000 2.153 378 E HA -0.083 4.268 4.350 0.001 0.000 0.194 378 E C 2.492 179.020 176.600 -0.120 0.000 0.988 378 E CA 1.292 57.610 56.400 -0.138 0.000 0.811 378 E CB -0.267 29.006 29.700 -0.712 0.000 0.746 378 E HN 0.439 nan 8.360 nan 0.000 0.466 379 S N 1.497 117.159 115.700 -0.063 0.000 2.371 379 S HA -0.079 4.391 4.470 0.001 0.000 0.224 379 S C 2.137 176.659 174.600 -0.129 0.000 1.029 379 S CA 0.633 58.873 58.200 0.066 0.000 0.978 379 S CB -0.259 63.079 63.200 0.230 0.000 0.833 379 S HN 0.164 nan 8.310 nan 0.000 0.466 380 I N 1.437 121.864 120.570 -0.239 0.000 2.236 380 I HA -0.176 3.994 4.170 0.001 0.000 0.249 380 I C 2.048 178.003 176.117 -0.270 0.000 1.102 380 I CA 1.019 62.074 61.300 -0.409 0.000 1.365 380 I CB -0.328 37.322 38.000 -0.583 0.000 1.051 380 I HN 0.160 nan 8.210 nan 0.000 0.420 381 V N 0.282 120.111 119.914 -0.142 0.000 2.788 381 V HA -0.100 4.020 4.120 0.001 0.000 0.251 381 V C 1.921 177.992 176.094 -0.038 0.000 1.068 381 V CA 1.357 63.649 62.300 -0.013 0.000 1.090 381 V CB 0.087 32.030 31.823 0.201 0.000 0.710 381 V HN 0.317 nan 8.190 nan 0.000 0.467 382 I N -2.230 118.152 120.570 -0.313 0.000 3.081 382 I HA 0.008 4.178 4.170 0.001 0.000 0.274 382 I C 1.832 177.370 176.117 -0.965 0.000 1.178 382 I CA 0.855 61.750 61.300 -0.674 0.000 1.460 382 I CB 0.051 37.309 38.000 -1.236 0.000 1.137 382 I HN 0.311 nan 8.210 nan 0.000 0.443 383 W N 0.205 121.102 121.300 -0.671 0.000 2.661 383 W HA 0.421 5.081 4.660 0.000 0.000 0.288 383 W C 1.161 177.034 176.519 -1.076 0.000 1.014 383 W CA 0.483 57.257 57.345 -0.952 0.000 1.396 383 W CB -0.030 28.971 29.460 -0.765 0.000 0.963 383 W HN 0.164 nan 8.180 nan 0.000 0.584 384 G N 2.544 110.847 108.800 -0.828 0.000 2.248 384 G HA2 -0.261 3.699 3.960 0.001 0.000 0.263 384 G HA3 -0.261 3.699 3.960 0.001 0.000 0.263 384 G C -0.123 174.782 174.900 0.007 0.000 1.082 384 G CA 0.714 45.604 45.100 -0.350 0.000 0.863 384 G HN 0.153 nan 8.290 nan 0.000 0.495 385 K N -0.743 119.580 120.400 -0.128 0.000 2.610 385 K HA 0.532 4.853 4.320 0.001 0.000 0.278 385 K C 0.134 176.641 176.600 -0.155 0.000 0.964 385 K CA -0.146 56.138 56.287 -0.005 0.000 0.859 385 K CB 1.338 33.892 32.500 0.090 0.000 1.434 385 K HN 0.437 nan 8.250 nan 0.000 0.410 386 T N -0.378 114.086 114.554 -0.149 0.000 2.934 386 T HA 0.635 4.986 4.350 0.001 0.000 0.283 386 T C -2.419 172.191 174.700 -0.150 0.000 1.005 386 T CA -1.494 60.492 62.100 -0.191 0.000 1.041 386 T CB 1.548 70.272 68.868 -0.241 0.000 1.042 386 T HN 0.268 nan 8.240 nan 0.000 0.505 387 P HA 0.378 nan 4.420 nan 0.000 0.284 387 P C -1.120 175.907 177.300 -0.455 0.000 1.287 387 P CA -0.909 61.925 63.100 -0.444 0.000 0.824 387 P CB 1.000 32.252 31.700 -0.747 0.000 1.180 388 K N 1.363 121.484 120.400 -0.466 0.000 2.264 388 K HA 0.306 4.627 4.320 0.001 0.000 0.277 388 K C -0.862 175.496 176.600 -0.403 0.000 1.067 388 K CA -0.544 55.565 56.287 -0.295 0.000 0.900 388 K CB -0.100 32.265 32.500 -0.225 0.000 1.124 388 K HN 0.266 nan 8.250 nan 0.000 0.469 389 F N 2.834 122.723 119.950 -0.102 0.000 2.412 389 F HA 0.225 4.752 4.527 0.001 0.000 0.348 389 F C 0.877 176.588 175.800 -0.148 0.000 1.102 389 F CA -0.192 57.743 58.000 -0.109 0.000 1.196 389 F CB 0.832 39.779 39.000 -0.089 0.000 1.144 389 F HN 0.208 nan 8.300 nan 0.000 0.541 390 K N 4.453 124.873 120.400 0.034 0.000 2.354 390 K HA 0.404 4.724 4.320 0.001 0.000 0.257 390 K C -1.102 175.518 176.600 0.034 0.000 1.062 390 K CA -0.242 56.049 56.287 0.005 0.000 0.971 390 K CB 0.552 33.074 32.500 0.037 0.000 1.305 390 K HN 0.520 nan 8.250 nan 0.000 0.449 391 L N 5.849 127.030 121.223 -0.071 0.000 2.270 391 L HA 0.249 4.589 4.340 0.001 0.000 0.286 391 L C -1.685 175.209 176.870 0.040 0.000 1.059 391 L CA -1.963 52.817 54.840 -0.100 0.000 0.839 391 L CB 0.670 42.460 42.059 -0.448 0.000 1.221 391 L HN 0.355 nan 8.230 nan 0.000 0.431 392 P HA 0.021 nan 4.420 nan 0.000 0.232 392 P C -0.369 177.031 177.300 0.166 0.000 1.606 392 P CA 0.863 64.052 63.100 0.149 0.000 1.105 392 P CB 0.368 32.184 31.700 0.192 0.000 1.919 393 I N -0.606 120.055 120.570 0.151 0.000 3.021 393 I HA 0.180 4.350 4.170 0.001 0.000 0.305 393 I C -1.229 174.930 176.117 0.070 0.000 1.434 393 I CA -1.075 60.307 61.300 0.137 0.000 0.969 393 I CB 2.986 41.086 38.000 0.166 0.000 1.328 393 I HN -0.070 nan 8.210 nan 0.000 0.486 394 Q N 4.594 124.392 119.800 -0.002 0.000 2.288 394 Q HA 0.149 4.489 4.340 0.001 0.000 0.258 394 Q C 0.772 176.523 176.000 -0.415 0.000 0.957 394 Q CA -0.186 55.549 55.803 -0.115 0.000 0.919 394 Q CB 1.458 30.182 28.738 -0.023 0.000 1.185 394 Q HN 0.524 nan 8.270 nan 0.000 0.408 395 K N 3.237 123.176 120.400 -0.769 0.000 2.023 395 K HA -0.327 3.993 4.320 0.001 0.000 0.227 395 K C 1.181 177.432 176.600 -0.581 0.000 1.054 395 K CA 2.582 58.107 56.287 -1.269 0.000 0.977 395 K CB 0.112 32.292 32.500 -0.533 0.000 0.733 395 K HN 0.642 nan 8.250 nan 0.000 0.451 396 E N -0.421 119.634 120.200 -0.242 0.000 2.070 396 E HA -0.151 4.199 4.350 0.001 0.000 0.197 396 E C 2.059 178.615 176.600 -0.073 0.000 1.004 396 E CA 2.082 58.424 56.400 -0.097 0.000 0.805 396 E CB -0.467 29.228 29.700 -0.009 0.000 0.744 396 E HN 0.393 nan 8.360 nan 0.000 0.451 397 T N 0.369 114.926 114.554 0.005 0.000 2.684 397 T HA -0.193 4.157 4.350 0.001 0.000 0.267 397 T C 1.278 176.094 174.700 0.193 0.000 1.036 397 T CA 1.266 63.487 62.100 0.201 0.000 1.148 397 T CB -0.401 68.616 68.868 0.248 0.000 0.863 397 T HN 0.390 nan 8.240 nan 0.000 0.436 398 W N 2.121 123.335 121.300 -0.143 0.000 2.353 398 W HA -0.144 4.517 4.660 0.001 0.000 0.319 398 W C 2.047 178.468 176.519 -0.164 0.000 1.207 398 W CA 1.462 58.707 57.345 -0.168 0.000 1.291 398 W CB -0.411 28.834 29.460 -0.359 0.000 1.159 398 W HN 0.402 nan 8.180 nan 0.000 0.478 399 E N -0.288 119.791 120.200 -0.201 0.000 2.065 399 E HA -0.276 4.075 4.350 0.001 0.000 0.201 399 E C 1.992 178.434 176.600 -0.264 0.000 1.016 399 E CA 2.762 58.942 56.400 -0.366 0.000 0.818 399 E CB -0.685 28.719 29.700 -0.493 0.000 0.749 399 E HN 0.203 nan 8.360 nan 0.000 0.453 400 T N 0.035 114.436 114.554 -0.255 0.000 2.607 400 T HA -0.181 4.169 4.350 0.001 0.000 0.267 400 T C 1.248 175.693 174.700 -0.426 0.000 1.049 400 T CA 1.344 63.191 62.100 -0.423 0.000 1.162 400 T CB -0.199 68.204 68.868 -0.775 0.000 0.863 400 T HN 0.349 nan 8.240 nan 0.000 0.424 401 W N 0.797 122.018 121.300 -0.132 0.000 3.177 401 W HA 0.230 4.890 4.660 0.000 0.000 0.309 401 W C 1.660 177.993 176.519 -0.310 0.000 1.224 401 W CA -0.835 56.406 57.345 -0.173 0.000 1.718 401 W CB -0.407 29.038 29.460 -0.024 0.000 1.078 401 W HN 0.503 nan 8.180 nan 0.000 0.618 402 W N 2.087 123.044 121.300 -0.572 0.000 2.662 402 W HA -0.133 4.527 4.660 0.001 0.000 0.249 402 W C 1.032 177.305 176.519 -0.411 0.000 1.251 402 W CA 1.649 58.477 57.345 -0.861 0.000 1.277 402 W CB -1.684 26.776 29.460 -1.667 0.000 1.140 402 W HN -0.063 nan 8.180 nan 0.000 0.645 403 T N -2.718 111.249 114.554 -0.978 0.000 2.955 403 T HA 0.052 4.402 4.350 0.001 0.000 0.251 403 T C 1.346 175.742 174.700 -0.508 0.000 1.002 403 T CA 0.551 62.088 62.100 -0.938 0.000 0.970 403 T CB -0.222 67.946 68.868 -1.167 0.000 1.091 403 T HN -0.032 nan 8.240 nan 0.000 0.495 404 E N 0.766 120.631 120.200 -0.557 0.000 2.331 404 E HA -0.051 4.299 4.350 0.001 0.000 0.199 404 E C 0.400 176.410 176.600 -0.983 0.000 1.008 404 E CA 1.249 57.232 56.400 -0.695 0.000 0.843 404 E CB -0.348 28.925 29.700 -0.712 0.000 0.761 404 E HN 0.879 nan 8.360 nan 0.000 0.507 405 Y N -2.777 117.466 120.300 -0.094 0.000 2.499 405 Y HA 0.191 4.742 4.550 0.001 0.000 0.253 405 Y C 0.477 176.333 175.900 -0.073 0.000 1.105 405 Y CA -0.895 57.154 58.100 -0.084 0.000 1.240 405 Y CB 0.012 38.422 38.460 -0.084 0.000 1.289 405 Y HN 0.006 nan 8.280 nan 0.000 0.534 406 W N 3.528 124.705 121.300 -0.205 0.000 2.170 406 W HA 0.165 4.825 4.660 0.000 0.000 0.336 406 W C 0.106 176.523 176.519 -0.170 0.000 1.283 406 W CA 0.744 57.981 57.345 -0.179 0.000 1.224 406 W CB 1.053 30.318 29.460 -0.324 0.000 1.132 406 W HN 0.259 nan 8.180 nan 0.000 0.571 407 Q N 2.742 122.132 119.800 -0.684 0.000 1.985 407 Q HA 0.153 4.493 4.340 0.001 0.000 0.221 407 Q C 0.410 176.100 176.000 -0.517 0.000 0.728 407 Q CA -0.180 55.364 55.803 -0.432 0.000 0.882 407 Q CB 1.087 29.618 28.738 -0.345 0.000 1.203 407 Q HN 0.423 nan 8.270 nan 0.000 0.441 408 A N 1.034 123.278 122.820 -0.960 0.000 2.366 408 A HA 0.210 4.530 4.320 0.001 0.000 0.249 408 A C 1.280 178.660 177.584 -0.340 0.000 1.084 408 A CA 0.608 52.091 52.037 -0.923 0.000 0.794 408 A CB 0.336 18.112 19.000 -2.040 0.000 1.034 408 A HN 0.278 nan 8.150 nan 0.000 0.491 409 T N -1.461 112.806 114.554 -0.479 0.000 3.043 409 T HA 0.056 4.406 4.350 0.001 0.000 0.263 409 T C 0.625 175.397 174.700 0.120 0.000 1.094 409 T CA 0.583 62.627 62.100 -0.094 0.000 1.127 409 T CB -0.322 68.508 68.868 -0.064 0.000 0.905 409 T HN 0.703 nan 8.240 nan 0.000 0.490 410 W N 0.575 122.117 121.300 0.403 0.000 2.481 410 W HA 0.754 5.414 4.660 0.001 0.000 0.369 410 W C -1.068 175.741 176.519 0.483 0.000 1.235 410 W CA -1.733 55.837 57.345 0.374 0.000 1.344 410 W CB 0.614 30.289 29.460 0.358 0.000 1.360 410 W HN -0.079 nan 8.180 nan 0.000 0.658 411 I N 2.147 123.183 120.570 0.776 0.000 2.571 411 I HA 0.251 4.421 4.170 0.001 0.000 0.289 411 I C -2.215 173.982 176.117 0.133 0.000 1.115 411 I CA -2.060 59.449 61.300 0.348 0.000 1.045 411 I CB 2.368 40.289 38.000 -0.132 0.000 1.238 411 I HN 0.039 nan 8.210 nan 0.000 0.424 412 P HA 0.385 nan 4.420 nan 0.000 0.287 412 P C -1.218 175.924 177.300 -0.263 0.000 1.296 412 P CA -0.563 62.546 63.100 0.016 0.000 0.811 412 P CB 0.992 32.857 31.700 0.276 0.000 1.211 413 E N -0.154 119.947 120.200 -0.164 0.000 2.277 413 E HA 0.354 4.705 4.350 0.001 0.000 0.274 413 E C -0.774 175.768 176.600 -0.097 0.000 1.022 413 E CA -0.116 56.098 56.400 -0.310 0.000 0.853 413 E CB 0.713 30.302 29.700 -0.185 0.000 1.086 413 E HN 0.476 nan 8.360 nan 0.000 0.397 414 W N 0.390 121.577 121.300 -0.188 0.000 3.138 414 W HA 0.547 5.207 4.660 0.000 0.000 0.331 414 W C -0.574 175.612 176.519 -0.555 0.000 1.166 414 W CA -0.978 56.141 57.345 -0.377 0.000 1.212 414 W CB 0.358 29.466 29.460 -0.586 0.000 1.399 414 W HN 0.293 nan 8.180 nan 0.000 0.514 415 E N 1.006 121.036 120.200 -0.283 0.000 2.259 415 E HA 0.654 5.005 4.350 0.001 0.000 0.257 415 E C -1.425 174.737 176.600 -0.730 0.000 0.998 415 E CA -1.214 54.983 56.400 -0.339 0.000 0.866 415 E CB 1.796 31.420 29.700 -0.127 0.000 1.220 415 E HN 0.273 nan 8.360 nan 0.000 0.415 416 F N 0.937 120.889 119.950 0.003 0.000 2.467 416 F HA 0.336 4.863 4.527 0.001 0.000 0.336 416 F C 0.192 175.993 175.800 0.002 0.000 1.123 416 F CA -0.804 57.170 58.000 -0.043 0.000 0.964 416 F CB 1.237 40.208 39.000 -0.049 0.000 1.136 416 F HN 0.171 nan 8.300 nan 0.000 0.447 417 V N -0.141 119.860 119.914 0.146 0.000 3.184 417 V HA 0.677 4.797 4.120 0.001 0.000 0.308 417 V C -0.873 175.285 176.094 0.107 0.000 1.243 417 V CA -0.896 61.468 62.300 0.107 0.000 1.058 417 V CB 2.270 34.141 31.823 0.080 0.000 1.183 417 V HN 0.643 nan 8.190 nan 0.000 0.471 418 N N 0.906 119.658 118.700 0.087 0.000 2.690 418 N HA 0.323 5.063 4.740 0.001 0.000 0.255 418 N C -0.650 174.897 175.510 0.063 0.000 1.195 418 N CA -0.241 52.852 53.050 0.072 0.000 0.790 418 N CB 1.248 39.773 38.487 0.064 0.000 1.216 418 N HN 0.905 nan 8.380 nan 0.000 0.528 419 T N 2.417 117.008 114.554 0.062 0.000 2.777 419 T HA -0.006 4.344 4.350 0.001 0.000 0.273 419 T C -2.183 172.529 174.700 0.020 0.000 1.016 419 T CA -0.162 61.967 62.100 0.048 0.000 1.156 419 T CB -0.079 68.808 68.868 0.033 0.000 1.019 419 T HN 0.214 nan 8.240 nan 0.000 0.503 420 P HA 0.188 nan 4.420 nan 0.000 0.276 420 P C -1.598 175.651 177.300 -0.086 0.000 1.243 420 P CA -1.822 61.281 63.100 0.005 0.000 0.768 420 P CB 0.563 32.301 31.700 0.063 0.000 0.856 421 P HA -0.176 nan 4.420 nan 0.000 0.218 421 P C 1.007 178.122 177.300 -0.308 0.000 1.146 421 P CA 1.544 64.550 63.100 -0.156 0.000 0.820 421 P CB 0.069 31.708 31.700 -0.101 0.000 0.778 422 L N -1.852 119.140 121.223 -0.384 0.000 2.298 422 L HA 0.022 4.362 4.340 0.001 0.000 0.209 422 L C 2.614 178.616 176.870 -1.447 0.000 1.084 422 L CA 0.364 54.703 54.840 -0.835 0.000 0.816 422 L CB -0.729 41.047 42.059 -0.472 0.000 0.967 422 L HN -0.250 nan 8.230 nan 0.000 0.460 423 V N 0.635 120.090 119.914 -0.766 0.000 2.407 423 V HA -0.289 3.832 4.120 0.001 0.000 0.248 423 V C 2.526 178.292 176.094 -0.548 0.000 1.055 423 V CA 1.949 63.817 62.300 -0.720 0.000 1.049 423 V CB -0.672 31.090 31.823 -0.101 0.000 0.662 423 V HN 0.504 nan 8.190 nan 0.000 0.455 424 K N 0.057 120.224 120.400 -0.388 0.000 2.280 424 K HA -0.127 4.193 4.320 0.001 0.000 0.202 424 K C 2.076 178.474 176.600 -0.338 0.000 1.047 424 K CA 1.219 57.367 56.287 -0.232 0.000 0.942 424 K CB -0.102 32.283 32.500 -0.192 0.000 0.739 424 K HN 0.419 nan 8.250 nan 0.000 0.457 425 L N 0.124 120.931 121.223 -0.694 0.000 2.007 425 L HA -0.117 4.223 4.340 0.001 0.000 0.205 425 L C 2.173 178.770 176.870 -0.455 0.000 1.073 425 L CA 1.712 56.142 54.840 -0.683 0.000 0.744 425 L CB -0.553 40.945 42.059 -0.934 0.000 0.898 425 L HN 0.413 nan 8.230 nan 0.000 0.435 426 W N -1.010 120.072 121.300 -0.362 0.000 2.335 426 W HA -0.270 4.391 4.660 0.001 0.000 0.311 426 W C 2.257 178.602 176.519 -0.291 0.000 1.213 426 W CA 0.132 57.230 57.345 -0.412 0.000 1.274 426 W CB -0.962 28.027 29.460 -0.785 0.000 1.148 426 W HN 0.091 nan 8.180 nan 0.000 0.498 427 Y N 1.023 121.371 120.300 0.079 0.000 2.571 427 Y HA -0.086 4.464 4.550 0.001 0.000 0.294 427 Y C 1.564 177.475 175.900 0.019 0.000 1.141 427 Y CA 0.411 58.555 58.100 0.072 0.000 1.308 427 Y CB -1.265 37.228 38.460 0.056 0.000 1.002 427 Y HN 0.055 nan 8.280 nan 0.000 0.551 428 Q N 1.331 121.179 119.800 0.079 0.000 2.247 428 Q HA 0.036 4.377 4.340 0.001 0.000 0.288 428 Q C -0.759 175.270 176.000 0.048 0.000 1.079 428 Q CA 0.311 56.128 55.803 0.024 0.000 0.932 428 Q CB 0.176 28.884 28.738 -0.051 0.000 1.133 428 Q HN 0.425 nan 8.270 nan 0.000 0.377 429 L N 4.435 125.685 121.223 0.045 0.000 2.512 429 L HA 0.510 4.851 4.340 0.001 0.000 0.247 429 L C 0.188 177.069 176.870 0.020 0.000 1.204 429 L CA 0.215 55.082 54.840 0.044 0.000 1.153 429 L CB -0.623 41.468 42.059 0.052 0.000 1.415 429 L HN 0.955 nan 8.230 nan 0.000 0.406 430 E N 0.000 120.208 120.200 0.013 0.000 2.725 430 E HA 0.000 4.350 4.350 0.001 0.000 0.291 430 E CA 0.000 nan 56.400 nan 0.000 0.976 430 E CB 0.000 nan 29.700 nan 0.000 0.812 430 E HN 0.000 nan 8.360 nan 0.000 0.440