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 2vdc_1_L DATA FIRST_RESID 26 DATA SEQUENCE QDFAEIYARF SDERANEQAN RCSQCGVPFC QVHCPVSNNI PDWLKLTSEG DATA SEQUENCE RLEEAYEVSQ ATNNFPEICG RICPQDRLCE GNCVIEQSTH GAVTIGSVEK DATA SEQUENCE YINDTAWDQG WVKPRTPSRE LGLSVGVIGA GPAGLAAAEE LRAKGYEVHV DATA SEQUENCE YDRYDRMGGL LVYGIPGFKL EKSVVERRVK LLADAGVIYH PNFEVGRDAS DATA SEQUENCE LPELRRKHVA VLVATGVYKA RDIKAPGSGL GNIVAALDYL TTSNKVSLGD DATA SEQUENCE TVEAYENGSL NAAGKHVVVL GGGDTAMDCV RTAIRQGATS VKCLYRRDRK DATA SEQUENCE NMPGSQREVA HAEEEGVEFI WQAAPEGFTG DTVVTGVRAV RIHLGVADAT DATA SEQUENCE GRQTPQVIEG SEFTVQADLV IKALGFEPED LPNAFDEPEL KVTRWGTLLV DATA SEQUENCE DHRTKMTNMD GVFAAGDIVR GASLVVWAIR DGRDAAEGIH AYAKAKAEAP DATA SEQUENCE VAVAAE 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 26 Q HA 0.000 nan 4.340 nan 0.000 0.214 26 Q C 0.000 175.913 176.000 -0.145 0.000 1.003 26 Q CA 0.000 55.715 55.803 -0.146 0.000 1.022 26 Q CB 0.000 28.697 28.738 -0.068 0.000 1.108 27 D N 1.111 121.339 120.400 -0.285 0.000 3.257 27 D HA 0.050 4.690 4.640 -0.000 0.000 0.289 27 D C -1.581 174.535 176.300 -0.307 0.000 0.958 27 D CA -0.630 53.277 54.000 -0.155 0.000 0.772 27 D CB -0.523 40.265 40.800 -0.020 0.000 2.574 27 D HN 0.187 nan 8.370 nan 0.000 0.515 28 F N 0.676 120.657 119.950 0.050 0.000 2.366 28 F HA 0.712 5.239 4.527 -0.000 0.000 0.328 28 F C 0.843 176.702 175.800 0.098 0.000 1.180 28 F CA -0.547 57.532 58.000 0.132 0.000 1.232 28 F CB 0.952 40.054 39.000 0.170 0.000 1.513 28 F HN 0.701 nan 8.300 nan 0.000 0.540 29 A N 0.567 123.471 122.820 0.140 0.000 2.271 29 A HA 0.470 4.790 4.320 -0.000 0.000 0.288 29 A C 0.191 177.848 177.584 0.122 0.000 1.094 29 A CA -0.598 51.495 52.037 0.092 0.000 0.828 29 A CB 0.363 19.377 19.000 0.024 0.000 1.091 29 A HN 0.516 nan 8.150 nan 0.000 0.493 30 E N 0.796 121.039 120.200 0.071 0.000 2.161 30 E HA 0.146 4.496 4.350 -0.000 0.000 0.263 30 E C 0.584 177.250 176.600 0.111 0.000 1.185 30 E CA 0.031 56.486 56.400 0.093 0.000 0.938 30 E CB -0.220 29.451 29.700 -0.048 0.000 1.023 30 E HN 0.491 nan 8.360 nan 0.000 0.433 31 I N 2.585 123.224 120.570 0.116 0.000 2.617 31 I HA 0.059 4.229 4.170 -0.000 0.000 0.256 31 I C 0.144 176.372 176.117 0.185 0.000 1.167 31 I CA 0.131 61.466 61.300 0.057 0.000 1.469 31 I CB -0.924 37.000 38.000 -0.127 0.000 1.098 31 I HN 0.333 nan 8.210 nan 0.000 0.436 32 Y N 2.070 122.484 120.300 0.190 0.000 2.881 32 Y HA 0.110 4.660 4.550 -0.000 0.000 0.335 32 Y C 1.868 177.947 175.900 0.299 0.000 1.263 32 Y CA 0.575 58.846 58.100 0.286 0.000 1.572 32 Y CB 0.404 38.989 38.460 0.208 0.000 1.237 32 Y HN 0.236 nan 8.280 nan 0.000 0.568 33 A N 5.279 128.377 122.820 0.463 0.000 1.930 33 A HA -0.165 4.154 4.320 -0.000 0.000 0.217 33 A C 2.250 179.996 177.584 0.270 0.000 1.175 33 A CA 1.425 53.626 52.037 0.273 0.000 0.627 33 A CB -0.373 18.713 19.000 0.143 0.000 0.815 33 A HN 0.888 nan 8.150 nan 0.000 0.443 34 R N -1.604 119.096 120.500 0.333 0.000 2.120 34 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 34 R C 0.748 177.144 176.300 0.160 0.000 1.123 34 R CA 0.548 56.773 56.100 0.209 0.000 0.975 34 R CB -0.969 29.433 30.300 0.170 0.000 0.866 34 R HN 0.357 nan 8.270 nan 0.000 0.446 35 F N 3.690 123.714 119.950 0.123 0.000 2.629 35 F HA -0.060 4.467 4.527 -0.000 0.000 0.377 35 F C 0.057 175.903 175.800 0.077 0.000 1.101 35 F CA 0.286 58.336 58.000 0.084 0.000 1.301 35 F CB 0.598 39.663 39.000 0.109 0.000 1.062 35 F HN 0.183 nan 8.300 nan 0.000 0.583 36 S N 5.048 120.060 115.700 -1.148 0.000 2.542 36 S HA 0.382 4.852 4.470 -0.000 0.000 0.293 36 S C -0.706 173.378 174.600 -0.859 0.000 1.089 36 S CA -1.110 56.657 58.200 -0.722 0.000 0.961 36 S CB 1.943 64.875 63.200 -0.446 0.000 1.062 36 S HN 0.777 nan 8.310 nan 0.000 0.483 37 D N 0.321 120.512 120.400 -0.347 0.000 2.507 37 D HA 0.103 4.743 4.640 -0.000 0.000 0.280 37 D C 1.159 177.241 176.300 -0.363 0.000 1.219 37 D CA -0.303 53.660 54.000 -0.063 0.000 1.085 37 D CB 0.811 41.647 40.800 0.061 0.000 1.134 37 D HN 0.802 nan 8.370 nan 0.000 0.583 38 E N -0.029 120.072 120.200 -0.166 0.000 2.331 38 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 38 E C 1.744 178.094 176.600 -0.417 0.000 1.008 38 E CA 0.643 56.815 56.400 -0.380 0.000 0.843 38 E CB -0.317 29.394 29.700 0.019 0.000 0.761 38 E HN 0.328 nan 8.360 nan 0.000 0.507 39 R N 0.639 120.969 120.500 -0.284 0.000 2.249 39 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 39 R C 2.308 178.450 176.300 -0.263 0.000 1.121 39 R CA 0.861 56.839 56.100 -0.203 0.000 0.997 39 R CB -0.390 29.832 30.300 -0.129 0.000 0.867 39 R HN 0.300 nan 8.270 nan 0.000 0.465 40 A N 1.482 124.032 122.820 -0.448 0.000 2.084 40 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 40 A C 1.568 178.985 177.584 -0.280 0.000 1.161 40 A CA 1.549 53.334 52.037 -0.420 0.000 0.653 40 A CB -0.401 18.192 19.000 -0.677 0.000 0.802 40 A HN 0.281 nan 8.150 nan 0.000 0.457 41 N N 0.226 118.768 118.700 -0.264 0.000 2.149 41 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 41 N C 1.615 177.061 175.510 -0.107 0.000 1.019 41 N CA 1.406 54.366 53.050 -0.150 0.000 0.857 41 N CB -0.304 38.114 38.487 -0.115 0.000 0.997 41 N HN 0.524 nan 8.380 nan 0.000 0.426 42 E N 0.967 121.099 120.200 -0.113 0.000 2.058 42 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 42 E C 1.973 178.526 176.600 -0.080 0.000 0.997 42 E CA 1.129 57.478 56.400 -0.085 0.000 0.801 42 E CB -0.247 29.406 29.700 -0.079 0.000 0.746 42 E HN 0.712 nan 8.360 nan 0.000 0.450 43 Q N 0.253 120.001 119.800 -0.086 0.000 2.172 43 Q HA 0.050 4.390 4.340 -0.000 0.000 0.200 43 Q C 2.100 178.075 176.000 -0.043 0.000 0.964 43 Q CA 1.331 57.096 55.803 -0.063 0.000 0.855 43 Q CB -0.287 28.422 28.738 -0.048 0.000 0.918 43 Q HN 0.132 nan 8.270 nan 0.000 0.444 44 A N 2.035 124.827 122.820 -0.048 0.000 1.902 44 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 44 A C 1.956 179.536 177.584 -0.006 0.000 1.181 44 A CA 1.619 53.648 52.037 -0.013 0.000 0.623 44 A CB -0.776 18.212 19.000 -0.019 0.000 0.818 44 A HN 0.509 nan 8.150 nan 0.000 0.443 45 N N -0.862 117.821 118.700 -0.027 0.000 2.188 45 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 45 N C 2.033 177.522 175.510 -0.034 0.000 1.018 45 N CA 1.243 54.278 53.050 -0.025 0.000 0.858 45 N CB -0.205 38.261 38.487 -0.035 0.000 0.989 45 N HN 0.602 nan 8.380 nan 0.000 0.426 46 R N 1.309 121.775 120.500 -0.057 0.000 2.096 46 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 46 R C 0.941 177.212 176.300 -0.048 0.000 1.127 46 R CA 0.516 56.557 56.100 -0.099 0.000 0.968 46 R CB -0.441 29.764 30.300 -0.157 0.000 0.861 46 R HN 0.182 nan 8.270 nan 0.000 0.440 47 C N 2.431 121.732 119.300 0.003 0.000 2.596 47 C HA 0.028 4.488 4.460 -0.000 0.000 0.414 47 C C 2.118 177.134 174.990 0.044 0.000 1.396 47 C CA 0.251 59.297 59.018 0.046 0.000 1.698 47 C CB 0.360 28.142 27.740 0.070 0.000 2.572 47 C HN 0.701 nan 8.230 nan 0.000 0.604 48 S N 3.347 119.085 115.700 0.063 0.000 2.481 48 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 48 S C 0.765 175.396 174.600 0.051 0.000 0.996 48 S CA 0.826 59.061 58.200 0.058 0.000 0.942 48 S CB -0.274 62.971 63.200 0.075 0.000 0.768 48 S HN 0.966 nan 8.310 nan 0.000 0.520 49 Q N 0.127 119.960 119.800 0.055 0.000 2.452 49 Q HA -0.166 4.174 4.340 -0.000 0.000 0.318 49 Q C 0.091 176.111 176.000 0.034 0.000 1.386 49 Q CA 0.801 56.630 55.803 0.043 0.000 0.872 49 Q CB -2.854 25.906 28.738 0.037 0.000 1.151 49 Q HN 0.781 nan 8.270 nan 0.000 0.417 50 C N -0.644 118.683 119.300 0.045 0.000 2.657 50 C HA 0.669 5.129 4.460 -0.000 0.000 0.404 50 C C 1.471 176.469 174.990 0.012 0.000 1.291 50 C CA 0.339 59.386 59.018 0.048 0.000 2.218 50 C CB 0.294 28.089 27.740 0.092 0.000 2.687 50 C HN 0.691 nan 8.230 nan 0.000 0.634 51 G N 3.240 112.039 108.800 -0.001 0.000 2.444 51 G HA2 0.464 4.424 3.960 -0.000 0.000 0.268 51 G HA3 0.464 4.424 3.960 -0.000 0.000 0.268 51 G C 0.242 175.092 174.900 -0.083 0.000 1.203 51 G CA 0.203 45.283 45.100 -0.035 0.000 0.835 51 G HN 2.225 nan 8.290 nan 0.000 0.543 52 V N -1.614 118.234 119.914 -0.110 0.000 5.578 52 V HA -0.151 3.969 4.120 -0.000 0.000 0.275 52 V C -1.688 174.255 176.094 -0.252 0.000 0.642 52 V CA -0.201 61.996 62.300 -0.171 0.000 0.613 52 V CB -2.586 29.115 31.823 -0.204 0.000 0.301 52 V HN 0.799 nan 8.190 nan 0.000 0.782 53 P HA 0.130 nan 4.420 nan 0.000 0.264 53 P C 0.862 178.090 177.300 -0.120 0.000 1.183 53 P CA 0.171 63.219 63.100 -0.088 0.000 0.763 53 P CB 0.567 32.255 31.700 -0.020 0.000 0.807 54 F N 1.628 121.588 119.950 0.017 0.000 2.186 54 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 54 F C 2.671 178.509 175.800 0.064 0.000 1.090 54 F CA 1.534 59.556 58.000 0.038 0.000 1.307 54 F CB -1.176 37.853 39.000 0.049 0.000 1.019 54 F HN 0.378 nan 8.300 nan 0.000 0.489 55 C N 0.443 119.888 119.300 0.241 0.000 2.429 55 C HA -0.196 4.264 4.460 -0.000 0.000 0.277 55 C C 2.637 177.680 174.990 0.089 0.000 1.262 55 C CA 0.949 60.060 59.018 0.155 0.000 1.733 55 C CB -1.709 26.090 27.740 0.098 0.000 2.010 55 C HN 0.632 nan 8.230 nan 0.000 0.483 56 Q N 1.321 121.130 119.800 0.015 0.000 2.119 56 Q HA -0.062 4.278 4.340 -0.000 0.000 0.201 56 Q C 2.122 178.130 176.000 0.014 0.000 0.972 56 Q CA 1.860 57.638 55.803 -0.041 0.000 0.847 56 Q CB -0.698 27.971 28.738 -0.116 0.000 0.903 56 Q HN 0.467 nan 8.270 nan 0.000 0.433 57 V N 1.162 121.096 119.914 0.033 0.000 2.407 57 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 57 V C 2.173 178.343 176.094 0.125 0.000 1.055 57 V CA 2.235 64.559 62.300 0.040 0.000 1.049 57 V CB -0.672 31.158 31.823 0.011 0.000 0.662 57 V HN 0.588 nan 8.190 nan 0.000 0.455 58 H N -2.026 117.083 119.070 0.066 0.000 2.555 58 H HA 0.005 4.561 4.556 -0.000 0.000 0.269 58 H C 1.186 176.565 175.328 0.086 0.000 0.988 58 H CA 0.223 56.325 56.048 0.089 0.000 1.178 58 H CB 0.166 29.994 29.762 0.109 0.000 1.373 58 H HN 0.537 nan 8.280 nan 0.000 0.588 59 C N 1.896 121.302 119.300 0.177 0.000 2.435 59 C HA 0.187 4.647 4.460 -0.000 0.000 0.375 59 C C -0.962 174.109 174.990 0.135 0.000 1.281 59 C CA -1.900 57.183 59.018 0.107 0.000 1.963 59 C CB 0.938 28.695 27.740 0.028 0.000 2.490 59 C HN 0.345 nan 8.230 nan 0.000 0.557 60 P HA -0.141 nan 4.420 nan 0.000 0.216 60 P C 1.401 178.790 177.300 0.149 0.000 1.150 60 P CA 1.409 64.641 63.100 0.220 0.000 0.837 60 P CB 0.042 31.952 31.700 0.350 0.000 0.786 61 V N -1.612 118.363 119.914 0.101 0.000 3.541 61 V HA 0.129 4.248 4.120 -0.000 0.000 0.267 61 V C 0.877 176.990 176.094 0.033 0.000 1.213 61 V CA 1.111 63.455 62.300 0.073 0.000 1.149 61 V CB -1.185 30.683 31.823 0.075 0.000 0.822 61 V HN 0.276 nan 8.190 nan 0.000 0.462 62 S N 1.653 117.366 115.700 0.021 0.000 3.783 62 S HA -0.245 4.225 4.470 -0.000 0.000 0.360 62 S C 0.279 174.826 174.600 -0.088 0.000 1.006 62 S CA 0.845 59.033 58.200 -0.021 0.000 1.115 62 S CB -2.642 60.553 63.200 -0.009 0.000 0.893 62 S HN 1.036 nan 8.310 nan 0.000 0.475 63 N N 1.436 120.050 118.700 -0.144 0.000 2.492 63 N HA -0.013 4.727 4.740 -0.000 0.000 0.260 63 N C 0.038 175.290 175.510 -0.430 0.000 1.215 63 N CA 0.106 52.972 53.050 -0.307 0.000 0.923 63 N CB 0.269 38.463 38.487 -0.489 0.000 1.092 63 N HN 0.555 nan 8.380 nan 0.000 0.448 64 N N 4.825 123.258 118.700 -0.444 0.000 2.739 64 N HA 0.067 4.807 4.740 -0.000 0.000 0.266 64 N C 1.063 176.168 175.510 -0.676 0.000 1.168 64 N CA -0.177 52.636 53.050 -0.395 0.000 1.055 64 N CB -0.394 37.962 38.487 -0.218 0.000 1.393 64 N HN 0.555 nan 8.380 nan 0.000 0.514 65 I N 2.670 122.780 120.570 -0.766 0.000 2.252 65 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 65 I C -0.510 175.371 176.117 -0.393 0.000 1.102 65 I CA 0.662 61.391 61.300 -0.952 0.000 1.385 65 I CB -1.156 36.588 38.000 -0.426 0.000 1.064 65 I HN 0.364 nan 8.210 nan 0.000 0.414 66 P HA -0.195 nan 4.420 nan 0.000 0.215 66 P C 0.903 178.201 177.300 -0.002 0.000 1.153 66 P CA 1.796 64.869 63.100 -0.045 0.000 0.853 66 P CB -0.106 31.569 31.700 -0.041 0.000 0.788 67 D N -0.749 119.625 120.400 -0.043 0.000 2.123 67 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 67 D C 2.101 178.488 176.300 0.145 0.000 0.976 67 D CA 0.981 54.997 54.000 0.028 0.000 0.831 67 D CB -0.667 40.131 40.800 -0.003 0.000 0.974 67 D HN 0.343 nan 8.370 nan 0.000 0.469 68 W N 1.938 123.245 121.300 0.012 0.000 2.388 68 W HA -0.048 4.612 4.660 0.000 0.000 0.294 68 W C 1.682 178.217 176.519 0.027 0.000 1.212 68 W CA 0.073 57.429 57.345 0.020 0.000 1.271 68 W CB -1.384 28.087 29.460 0.018 0.000 1.126 68 W HN -0.092 nan 8.180 nan 0.000 0.535 69 L N 2.306 123.907 121.223 0.631 0.000 2.093 69 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 69 L C 2.542 179.521 176.870 0.181 0.000 1.085 69 L CA 2.524 57.586 54.840 0.370 0.000 0.755 69 L CB -1.356 40.913 42.059 0.350 0.000 0.904 69 L HN 0.236 nan 8.230 nan 0.000 0.435 70 K N -0.655 119.835 120.400 0.149 0.000 2.097 70 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 70 K C 2.129 178.779 176.600 0.084 0.000 1.049 70 K CA 1.450 57.791 56.287 0.090 0.000 0.933 70 K CB -0.315 32.225 32.500 0.066 0.000 0.717 70 K HN 0.423 nan 8.250 nan 0.000 0.442 71 L N 1.385 122.675 121.223 0.112 0.000 2.017 71 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 71 L C 2.331 179.248 176.870 0.079 0.000 1.073 71 L CA 2.693 57.590 54.840 0.095 0.000 0.745 71 L CB -1.445 40.687 42.059 0.121 0.000 0.894 71 L HN 0.447 nan 8.230 nan 0.000 0.432 72 T N -1.435 113.169 114.554 0.083 0.000 2.867 72 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 72 T C 2.043 176.764 174.700 0.035 0.000 1.057 72 T CA 1.733 63.867 62.100 0.058 0.000 1.136 72 T CB -0.131 68.755 68.868 0.031 0.000 0.874 72 T HN 0.491 nan 8.240 nan 0.000 0.466 73 S N 1.450 117.172 115.700 0.036 0.000 2.370 73 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 73 S C 1.914 176.525 174.600 0.019 0.000 1.033 73 S CA 1.774 59.985 58.200 0.018 0.000 1.011 73 S CB -0.387 62.827 63.200 0.023 0.000 0.852 73 S HN 0.910 nan 8.310 nan 0.000 0.457 74 E N 0.325 120.544 120.200 0.031 0.000 2.208 74 E HA 0.118 4.468 4.350 -0.000 0.000 0.193 74 E C 1.344 177.963 176.600 0.032 0.000 0.988 74 E CA 0.713 57.130 56.400 0.029 0.000 0.828 74 E CB -0.343 29.375 29.700 0.031 0.000 0.763 74 E HN 0.478 nan 8.360 nan 0.000 0.478 75 G N 1.405 110.229 108.800 0.041 0.000 2.159 75 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.227 75 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.227 75 G C 0.139 175.076 174.900 0.061 0.000 0.986 75 G CA -0.042 45.089 45.100 0.050 0.000 0.651 75 G HN 0.180 nan 8.290 nan 0.000 0.523 76 R N 0.428 120.963 120.500 0.058 0.000 3.171 76 R HA 0.477 4.817 4.340 -0.000 0.000 0.241 76 R C 1.582 177.923 176.300 0.069 0.000 1.421 76 R CA -0.598 55.536 56.100 0.057 0.000 1.444 76 R CB 0.083 30.408 30.300 0.042 0.000 1.247 76 R HN 0.246 nan 8.270 nan 0.000 0.636 77 L N 1.502 122.775 121.223 0.082 0.000 2.129 77 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 77 L C 2.355 179.281 176.870 0.094 0.000 1.087 77 L CA 1.787 56.681 54.840 0.091 0.000 0.757 77 L CB -0.317 41.791 42.059 0.083 0.000 0.896 77 L HN 0.562 nan 8.230 nan 0.000 0.434 78 E N -0.317 119.924 120.200 0.069 0.000 2.077 78 E HA -0.271 4.078 4.350 -0.000 0.000 0.193 78 E C 1.852 178.504 176.600 0.087 0.000 0.989 78 E CA 1.464 57.895 56.400 0.051 0.000 0.800 78 E CB -0.481 29.183 29.700 -0.061 0.000 0.746 78 E HN 0.564 nan 8.360 nan 0.000 0.452 79 E N 1.046 121.283 120.200 0.062 0.000 2.077 79 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 79 E C 2.203 178.872 176.600 0.116 0.000 0.989 79 E CA 1.122 57.561 56.400 0.066 0.000 0.800 79 E CB -0.176 29.556 29.700 0.054 0.000 0.746 79 E HN 0.424 nan 8.360 nan 0.000 0.452 80 A N 0.650 123.554 122.820 0.139 0.000 1.930 80 A HA -0.204 4.115 4.320 -0.000 0.000 0.217 80 A C 2.018 179.704 177.584 0.170 0.000 1.175 80 A CA 1.279 53.426 52.037 0.183 0.000 0.627 80 A CB -0.728 18.339 19.000 0.111 0.000 0.815 80 A HN 0.422 nan 8.150 nan 0.000 0.443 81 Y N 0.873 121.188 120.300 0.024 0.000 2.181 81 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 81 Y C 2.190 178.120 175.900 0.050 0.000 1.146 81 Y CA 2.245 60.350 58.100 0.009 0.000 1.164 81 Y CB -0.278 38.182 38.460 0.000 0.000 0.982 81 Y HN 0.472 nan 8.280 nan 0.000 0.515 82 E N -0.753 119.487 120.200 0.066 0.000 2.077 82 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 82 E C 2.287 178.861 176.600 -0.043 0.000 0.989 82 E CA 1.474 57.856 56.400 -0.031 0.000 0.800 82 E CB -0.280 29.435 29.700 0.024 0.000 0.746 82 E HN 0.342 nan 8.360 nan 0.000 0.452 83 V N 1.377 121.328 119.914 0.061 0.000 2.343 83 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 83 V C 2.474 178.661 176.094 0.154 0.000 1.051 83 V CA 2.109 64.473 62.300 0.106 0.000 1.036 83 V CB -0.413 31.530 31.823 0.201 0.000 0.654 83 V HN 0.378 nan 8.190 nan 0.000 0.451 84 S N -0.808 115.060 115.700 0.281 0.000 2.356 84 S HA -0.271 4.199 4.470 -0.000 0.000 0.223 84 S C 1.886 176.528 174.600 0.071 0.000 1.032 84 S CA 1.177 59.616 58.200 0.398 0.000 1.005 84 S CB -0.503 62.808 63.200 0.185 0.000 0.867 84 S HN 0.559 nan 8.310 nan 0.000 0.449 85 Q N 1.325 121.003 119.800 -0.204 0.000 2.167 85 Q HA 0.090 4.430 4.340 -0.000 0.000 0.202 85 Q C 2.599 178.540 176.000 -0.098 0.000 0.970 85 Q CA 1.383 57.044 55.803 -0.237 0.000 0.855 85 Q CB -0.799 27.673 28.738 -0.443 0.000 0.911 85 Q HN 0.728 nan 8.270 nan 0.000 0.438 86 A N 0.955 123.735 122.820 -0.067 0.000 1.877 86 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 86 A C 2.350 179.927 177.584 -0.011 0.000 1.186 86 A CA 2.358 54.374 52.037 -0.035 0.000 0.620 86 A CB -0.838 18.146 19.000 -0.026 0.000 0.822 86 A HN 0.539 nan 8.150 nan 0.000 0.443 87 T N -1.048 113.508 114.554 0.004 0.000 2.809 87 T HA 0.017 4.367 4.350 -0.000 0.000 0.260 87 T C 0.618 175.346 174.700 0.046 0.000 1.039 87 T CA 0.748 62.857 62.100 0.015 0.000 1.141 87 T CB -0.683 68.185 68.868 0.000 0.000 0.869 87 T HN 0.771 nan 8.240 nan 0.000 0.437 88 N N 0.320 119.060 118.700 0.067 0.000 2.346 88 N HA 0.370 5.110 4.740 -0.000 0.000 0.289 88 N C 0.029 175.584 175.510 0.075 0.000 1.027 88 N CA -0.865 52.244 53.050 0.099 0.000 0.864 88 N CB 1.144 39.718 38.487 0.145 0.000 1.370 88 N HN -0.077 nan 8.380 nan 0.000 0.481 89 N N 0.734 119.490 118.700 0.094 0.000 2.289 89 N HA -0.071 4.669 4.740 -0.000 0.000 0.184 89 N C -0.483 174.935 175.510 -0.153 0.000 1.016 89 N CA 1.088 54.128 53.050 -0.017 0.000 0.872 89 N CB -0.049 38.453 38.487 0.024 0.000 0.973 89 N HN 0.486 nan 8.380 nan 0.000 0.433 90 F N 0.885 120.855 119.950 0.033 0.000 2.883 90 F HA 0.274 4.801 4.527 -0.000 0.000 0.312 90 F C -1.474 174.344 175.800 0.031 0.000 1.246 90 F CA -2.006 56.016 58.000 0.036 0.000 1.238 90 F CB 0.891 39.908 39.000 0.029 0.000 1.195 90 F HN -0.035 nan 8.300 nan 0.000 0.526 91 P HA -0.200 nan 4.420 nan 0.000 0.216 91 P C 1.175 178.518 177.300 0.071 0.000 1.150 91 P CA 1.622 64.774 63.100 0.086 0.000 0.837 91 P CB 0.384 32.079 31.700 -0.008 0.000 0.786 92 E N -0.553 119.700 120.200 0.089 0.000 2.031 92 E HA -0.171 4.178 4.350 -0.000 0.000 0.193 92 E C 2.093 178.726 176.600 0.055 0.000 0.994 92 E CA 0.964 57.408 56.400 0.073 0.000 0.800 92 E CB -0.620 29.135 29.700 0.092 0.000 0.752 92 E HN 0.169 nan 8.360 nan 0.000 0.447 93 I N 0.907 121.543 120.570 0.111 0.000 2.252 93 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 93 I C 2.164 178.300 176.117 0.032 0.000 1.102 93 I CA 1.198 62.547 61.300 0.081 0.000 1.385 93 I CB -0.295 37.793 38.000 0.148 0.000 1.064 93 I HN 0.118 nan 8.210 nan 0.000 0.414 94 C N 1.120 120.458 119.300 0.063 0.000 2.425 94 C HA -0.025 4.435 4.460 -0.000 0.000 0.277 94 C C 2.872 177.860 174.990 -0.004 0.000 1.280 94 C CA 0.792 59.825 59.018 0.025 0.000 1.744 94 C CB -2.128 25.649 27.740 0.062 0.000 1.989 94 C HN 0.703 nan 8.230 nan 0.000 0.491 95 G N 1.427 110.224 108.800 -0.005 0.000 2.440 95 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 95 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 95 G C 1.687 176.525 174.900 -0.103 0.000 1.154 95 G CA 1.049 46.125 45.100 -0.040 0.000 0.767 95 G HN 0.746 nan 8.290 nan 0.000 0.552 96 R N 0.535 120.948 120.500 -0.145 0.000 2.062 96 R HA 0.152 4.492 4.340 -0.000 0.000 0.229 96 R C 2.615 178.664 176.300 -0.418 0.000 1.128 96 R CA 1.480 57.373 56.100 -0.345 0.000 0.960 96 R CB -0.714 29.408 30.300 -0.297 0.000 0.855 96 R HN 0.527 nan 8.270 nan 0.000 0.432 97 I N 0.108 120.585 120.570 -0.154 0.000 2.852 97 I HA 0.130 4.300 4.170 -0.000 0.000 0.264 97 I C 0.299 176.410 176.117 -0.009 0.000 1.179 97 I CA -0.261 61.021 61.300 -0.030 0.000 1.480 97 I CB -0.022 37.977 38.000 -0.002 0.000 1.111 97 I HN 0.020 nan 8.210 nan 0.000 0.441 98 C N 4.961 124.234 119.300 -0.046 0.000 2.596 98 C HA 0.149 4.609 4.460 -0.000 0.000 0.414 98 C C -1.753 173.214 174.990 -0.037 0.000 1.396 98 C CA -0.545 58.430 59.018 -0.070 0.000 1.698 98 C CB -0.513 27.186 27.740 -0.067 0.000 2.572 98 C HN 0.405 nan 8.230 nan 0.000 0.604 99 P HA 0.051 nan 4.420 nan 0.000 0.252 99 P C 0.556 177.823 177.300 -0.055 0.000 1.727 99 P CA 0.440 63.521 63.100 -0.031 0.000 1.134 99 P CB 0.336 32.002 31.700 -0.057 0.000 1.876 100 Q N 1.210 120.994 119.800 -0.026 0.000 2.124 100 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 100 Q C 1.020 176.976 176.000 -0.073 0.000 0.977 100 Q CA 1.638 57.413 55.803 -0.047 0.000 0.850 100 Q CB -0.291 28.448 28.738 0.002 0.000 0.901 100 Q HN 0.451 nan 8.270 nan 0.000 0.429 101 D N 0.286 120.669 120.400 -0.028 0.000 2.144 101 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 101 D C 1.841 178.117 176.300 -0.041 0.000 0.984 101 D CA 0.893 54.880 54.000 -0.022 0.000 0.834 101 D CB -0.075 40.731 40.800 0.011 0.000 0.955 101 D HN 0.185 nan 8.370 nan 0.000 0.465 102 R N -0.533 119.944 120.500 -0.038 0.000 2.193 102 R HA 0.106 4.446 4.340 -0.000 0.000 0.213 102 R C 1.349 177.568 176.300 -0.135 0.000 1.055 102 R CA 0.374 56.478 56.100 0.007 0.000 0.995 102 R CB 0.393 30.725 30.300 0.054 0.000 0.893 102 R HN 0.197 nan 8.270 nan 0.000 0.459 103 L N -1.496 119.510 121.223 -0.362 0.000 2.695 103 L HA 0.072 4.412 4.340 -0.000 0.000 0.211 103 L C 2.290 178.636 176.870 -0.874 0.000 1.839 103 L CA -0.150 54.335 54.840 -0.591 0.000 2.948 103 L CB -0.427 41.495 42.059 -0.228 0.000 2.799 103 L HN 0.218 nan 8.230 nan 0.000 0.731 104 C N -0.655 118.455 119.300 -0.316 0.000 2.413 104 C HA -0.137 4.323 4.460 -0.000 0.000 0.276 104 C C 2.332 177.281 174.990 -0.070 0.000 1.248 104 C CA 1.045 59.992 59.018 -0.118 0.000 1.742 104 C CB -1.565 26.177 27.740 0.004 0.000 2.017 104 C HN 0.858 nan 8.230 nan 0.000 0.481 105 E N 1.770 121.930 120.200 -0.066 0.000 2.268 105 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 105 E C 2.237 178.829 176.600 -0.014 0.000 0.995 105 E CA 1.296 57.690 56.400 -0.009 0.000 0.836 105 E CB -0.797 28.911 29.700 0.014 0.000 0.763 105 E HN 0.677 nan 8.360 nan 0.000 0.491 106 G N 1.710 110.463 108.800 -0.078 0.000 2.442 106 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 106 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 106 G C 1.304 176.272 174.900 0.113 0.000 1.141 106 G CA 0.739 45.847 45.100 0.013 0.000 0.763 106 G HN 0.167 nan 8.290 nan 0.000 0.554 107 N N -0.606 118.211 118.700 0.195 0.000 2.321 107 N HA 0.112 4.852 4.740 -0.000 0.000 0.242 107 N C -0.215 175.332 175.510 0.061 0.000 1.141 107 N CA -0.492 52.645 53.050 0.145 0.000 0.864 107 N CB 0.050 38.712 38.487 0.291 0.000 1.100 107 N HN 0.221 nan 8.380 nan 0.000 0.510 108 C N 1.152 120.481 119.300 0.048 0.000 2.648 108 C HA 0.110 4.570 4.460 -0.000 0.000 0.419 108 C C 2.365 177.344 174.990 -0.019 0.000 1.352 108 C CA -0.589 58.459 59.018 0.050 0.000 1.816 108 C CB -0.532 27.240 27.740 0.053 0.000 2.598 108 C HN 0.383 nan 8.230 nan 0.000 0.598 109 V N 6.099 126.015 119.914 0.003 0.000 2.427 109 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 109 V C 1.997 178.070 176.094 -0.034 0.000 1.051 109 V CA 2.314 64.583 62.300 -0.052 0.000 1.048 109 V CB -1.255 30.593 31.823 0.042 0.000 0.666 109 V HN 0.933 nan 8.190 nan 0.000 0.456 110 I N -0.756 119.822 120.570 0.013 0.000 2.916 110 I HA -0.104 4.066 4.170 -0.000 0.000 0.267 110 I C 2.351 178.379 176.117 -0.149 0.000 1.263 110 I CA 1.856 63.151 61.300 -0.008 0.000 1.471 110 I CB -0.689 37.415 38.000 0.175 0.000 1.089 110 I HN 0.357 nan 8.210 nan 0.000 0.468 111 E N 2.957 123.098 120.200 -0.098 0.000 2.219 111 E HA -0.317 4.033 4.350 -0.000 0.000 0.198 111 E C 2.029 178.547 176.600 -0.138 0.000 0.998 111 E CA 2.221 58.553 56.400 -0.113 0.000 0.818 111 E CB -0.200 29.458 29.700 -0.071 0.000 0.741 111 E HN 0.914 nan 8.360 nan 0.000 0.477 112 Q N 0.100 119.823 119.800 -0.128 0.000 2.170 112 Q HA -0.016 4.324 4.340 -0.000 0.000 0.203 112 Q C 1.124 177.041 176.000 -0.139 0.000 0.976 112 Q CA 0.875 56.611 55.803 -0.112 0.000 0.858 112 Q CB -0.178 28.510 28.738 -0.084 0.000 0.907 112 Q HN -0.068 nan 8.270 nan 0.000 0.433 113 S N 0.525 116.084 115.700 -0.236 0.000 2.608 113 S HA 0.021 4.491 4.470 -0.000 0.000 0.261 113 S C 1.068 175.485 174.600 -0.305 0.000 1.314 113 S CA 0.095 58.109 58.200 -0.310 0.000 0.992 113 S CB 1.315 64.126 63.200 -0.648 0.000 0.935 113 S HN 0.488 nan 8.310 nan 0.000 0.564 114 T N 0.727 115.179 114.554 -0.170 0.000 2.708 114 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 114 T C 1.713 176.373 174.700 -0.066 0.000 1.037 114 T CA 2.267 64.327 62.100 -0.067 0.000 1.146 114 T CB -0.725 68.157 68.868 0.023 0.000 0.865 114 T HN 0.820 nan 8.240 nan 0.000 0.435 115 H N 0.189 119.258 119.070 -0.002 0.000 2.387 115 H HA 0.409 4.965 4.556 -0.000 0.000 0.299 115 H C 1.390 176.718 175.328 0.000 0.000 1.090 115 H CA 0.436 56.484 56.048 -0.000 0.000 1.332 115 H CB -0.878 28.885 29.762 0.001 0.000 1.386 115 H HN 0.737 nan 8.280 nan 0.000 0.516 116 G N -0.066 108.536 108.800 -0.330 0.000 2.592 116 G HA2 0.140 4.100 3.960 -0.000 0.000 0.684 116 G HA3 0.140 4.100 3.960 -0.000 0.000 0.684 116 G C -0.236 174.631 174.900 -0.055 0.000 1.291 116 G CA -0.356 44.654 45.100 -0.150 0.000 0.891 116 G HN 0.925 nan 8.290 nan 0.000 0.544 117 A N -0.915 121.900 122.820 -0.008 0.000 2.406 117 A HA 0.667 4.987 4.320 -0.000 0.000 0.243 117 A C 1.203 178.843 177.584 0.095 0.000 1.082 117 A CA 0.576 52.637 52.037 0.041 0.000 0.786 117 A CB 0.044 19.060 19.000 0.026 0.000 1.029 117 A HN 2.249 nan 8.150 nan 0.000 0.495 118 V N -0.272 119.706 119.914 0.106 0.000 2.732 118 V HA 0.507 4.627 4.120 -0.000 0.000 0.297 118 V C 0.836 176.979 176.094 0.080 0.000 1.060 118 V CA 0.032 62.393 62.300 0.102 0.000 1.038 118 V CB 1.056 32.942 31.823 0.105 0.000 1.003 118 V HN 0.949 nan 8.190 nan 0.000 0.481 119 T N 3.118 117.709 114.554 0.063 0.000 2.875 119 T HA 0.383 4.733 4.350 -0.000 0.000 0.307 119 T C 0.778 175.516 174.700 0.063 0.000 1.013 119 T CA -0.334 61.800 62.100 0.056 0.000 0.970 119 T CB -0.511 68.380 68.868 0.039 0.000 0.986 119 T HN 0.493 nan 8.240 nan 0.000 0.536 120 I N 4.472 125.102 120.570 0.099 0.000 2.353 120 I HA 0.141 4.311 4.170 -0.000 0.000 0.248 120 I C 2.651 178.841 176.117 0.122 0.000 1.119 120 I CA 1.174 62.574 61.300 0.167 0.000 1.417 120 I CB -0.607 37.540 38.000 0.244 0.000 1.078 120 I HN 0.727 nan 8.210 nan 0.000 0.421 121 G N -0.562 108.283 108.800 0.075 0.000 2.440 121 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 121 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 121 G C 1.831 176.714 174.900 -0.029 0.000 1.154 121 G CA 1.146 46.263 45.100 0.027 0.000 0.767 121 G HN 0.430 nan 8.290 nan 0.000 0.552 122 S N 0.195 115.880 115.700 -0.024 0.000 2.368 122 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 122 S C 2.596 177.138 174.600 -0.098 0.000 1.030 122 S CA 2.135 60.297 58.200 -0.063 0.000 0.999 122 S CB -0.425 62.739 63.200 -0.060 0.000 0.844 122 S HN 0.414 nan 8.310 nan 0.000 0.459 123 V N 0.780 120.638 119.914 -0.093 0.000 2.427 123 V HA -0.049 4.071 4.120 -0.000 0.000 0.248 123 V C 2.490 178.434 176.094 -0.250 0.000 1.051 123 V CA 2.024 64.244 62.300 -0.133 0.000 1.048 123 V CB -1.350 30.409 31.823 -0.106 0.000 0.666 123 V HN 0.639 nan 8.190 nan 0.000 0.456 124 E N 1.067 121.056 120.200 -0.351 0.000 2.110 124 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 124 E C 2.129 178.562 176.600 -0.280 0.000 0.988 124 E CA 1.552 57.605 56.400 -0.579 0.000 0.804 124 E CB -0.071 29.339 29.700 -0.483 0.000 0.745 124 E HN 0.590 nan 8.360 nan 0.000 0.458 125 K N -0.221 120.097 120.400 -0.135 0.000 2.026 125 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 125 K C 1.919 178.502 176.600 -0.027 0.000 1.048 125 K CA 1.565 57.824 56.287 -0.048 0.000 0.929 125 K CB -0.598 31.918 32.500 0.027 0.000 0.713 125 K HN 0.235 nan 8.250 nan 0.000 0.439 126 Y N 0.581 120.782 120.300 -0.166 0.000 2.145 126 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 126 Y C 2.060 177.909 175.900 -0.085 0.000 1.145 126 Y CA 1.367 59.375 58.100 -0.153 0.000 1.148 126 Y CB -0.197 38.129 38.460 -0.222 0.000 0.981 126 Y HN 0.028 nan 8.280 nan 0.000 0.507 127 I N 1.113 121.686 120.570 0.005 0.000 2.226 127 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 127 I C 2.364 178.481 176.117 -0.000 0.000 1.100 127 I CA 1.953 63.251 61.300 -0.005 0.000 1.374 127 I CB -0.999 36.948 38.000 -0.089 0.000 1.057 127 I HN 0.470 nan 8.210 nan 0.000 0.413 128 N N 0.203 118.920 118.700 0.028 0.000 2.120 128 N HA -0.242 4.498 4.740 -0.000 0.000 0.188 128 N C 1.410 176.955 175.510 0.058 0.000 1.024 128 N CA 1.896 55.061 53.050 0.192 0.000 0.852 128 N CB -0.235 38.326 38.487 0.123 0.000 1.003 128 N HN 0.339 nan 8.380 nan 0.000 0.424 129 D N 0.008 120.376 120.400 -0.053 0.000 2.117 129 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 129 D C 2.028 178.284 176.300 -0.072 0.000 0.987 129 D CA 1.853 55.810 54.000 -0.072 0.000 0.829 129 D CB -0.611 40.105 40.800 -0.139 0.000 0.961 129 D HN 0.537 nan 8.370 nan 0.000 0.460 130 T N -0.813 113.617 114.554 -0.206 0.000 2.821 130 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 130 T C 2.124 176.783 174.700 -0.068 0.000 1.046 130 T CA 1.351 63.362 62.100 -0.147 0.000 1.139 130 T CB -0.450 68.327 68.868 -0.152 0.000 0.871 130 T HN 0.107 nan 8.240 nan 0.000 0.454 131 A N 0.665 123.392 122.820 -0.155 0.000 1.940 131 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 131 A C 2.050 179.490 177.584 -0.240 0.000 1.176 131 A CA 1.483 53.307 52.037 -0.354 0.000 0.631 131 A CB -1.446 16.779 19.000 -1.292 0.000 0.814 131 A HN 0.757 nan 8.150 nan 0.000 0.446 132 W N 1.187 122.318 121.300 -0.283 0.000 2.338 132 W HA -0.224 4.436 4.660 -0.000 0.000 0.304 132 W C 1.742 178.167 176.519 -0.158 0.000 1.212 132 W CA 1.959 59.194 57.345 -0.184 0.000 1.264 132 W CB -0.069 29.319 29.460 -0.121 0.000 1.142 132 W HN 0.474 nan 8.180 nan 0.000 0.512 133 D N -0.252 120.320 120.400 0.287 0.000 2.149 133 D HA -0.248 4.392 4.640 -0.000 0.000 0.198 133 D C 1.921 178.115 176.300 -0.176 0.000 0.990 133 D CA 1.607 55.711 54.000 0.172 0.000 0.839 133 D CB -0.397 40.502 40.800 0.165 0.000 0.948 133 D HN 0.197 nan 8.370 nan 0.000 0.460 134 Q N -0.177 119.508 119.800 -0.192 0.000 2.084 134 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 134 Q C 1.719 177.359 176.000 -0.601 0.000 0.978 134 Q CA 1.563 57.155 55.803 -0.352 0.000 0.844 134 Q CB -0.598 28.046 28.738 -0.157 0.000 0.898 134 Q HN 0.528 nan 8.270 nan 0.000 0.426 135 G N 0.072 108.555 108.800 -0.530 0.000 2.149 135 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.235 135 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.235 135 G C -0.639 174.006 174.900 -0.425 0.000 1.018 135 G CA 0.210 44.986 45.100 -0.539 0.000 0.728 135 G HN 0.183 nan 8.290 nan 0.000 0.508 136 W N -1.168 119.997 121.300 -0.225 0.000 2.184 136 W HA 0.598 5.258 4.660 -0.000 0.000 0.338 136 W C 0.648 177.091 176.519 -0.128 0.000 1.257 136 W CA -0.741 56.516 57.345 -0.147 0.000 1.243 136 W CB 0.922 30.315 29.460 -0.111 0.000 1.122 136 W HN 0.112 nan 8.180 nan 0.000 0.585 137 V N 2.026 122.044 119.914 0.175 0.000 2.850 137 V HA 0.302 4.422 4.120 -0.000 0.000 0.315 137 V C -0.277 175.881 176.094 0.106 0.000 1.064 137 V CA -1.503 60.844 62.300 0.080 0.000 0.979 137 V CB 1.775 33.624 31.823 0.044 0.000 1.039 137 V HN 0.430 nan 8.190 nan 0.000 0.452 138 K N 4.837 125.279 120.400 0.070 0.000 2.292 138 K HA 0.452 4.772 4.320 -0.000 0.000 0.270 138 K C -2.600 174.022 176.600 0.037 0.000 1.062 138 K CA -1.484 54.841 56.287 0.062 0.000 0.916 138 K CB 1.243 33.779 32.500 0.060 0.000 1.166 138 K HN 0.355 nan 8.250 nan 0.000 0.458 139 P HA 0.010 nan 4.420 nan 0.000 0.270 139 P C -1.056 176.248 177.300 0.006 0.000 1.223 139 P CA -0.149 62.961 63.100 0.017 0.000 0.785 139 P CB 0.514 32.223 31.700 0.014 0.000 0.923 140 R N -0.342 120.159 120.500 0.002 0.000 2.500 140 R HA 0.565 4.905 4.340 -0.000 0.000 0.277 140 R C -0.310 175.982 176.300 -0.014 0.000 1.026 140 R CA -0.677 55.419 56.100 -0.006 0.000 1.058 140 R CB -0.178 30.117 30.300 -0.008 0.000 1.078 140 R HN 0.372 nan 8.270 nan 0.000 0.509 141 T N -0.414 114.127 114.554 -0.022 0.000 2.882 141 T HA 0.165 4.515 4.350 -0.000 0.000 0.287 141 T C -1.206 173.475 174.700 -0.032 0.000 1.014 141 T CA -1.500 60.584 62.100 -0.028 0.000 1.049 141 T CB 0.909 69.757 68.868 -0.035 0.000 1.001 141 T HN 0.546 nan 8.240 nan 0.000 0.525 142 P HA -0.064 nan 4.420 nan 0.000 0.212 142 P C 0.516 177.790 177.300 -0.044 0.000 1.178 142 P CA 1.166 64.247 63.100 -0.032 0.000 0.915 142 P CB 0.133 31.816 31.700 -0.027 0.000 0.788 143 S N -2.590 113.077 115.700 -0.055 0.000 2.611 143 S HA 0.589 5.059 4.470 -0.000 0.000 0.270 143 S C -1.343 173.204 174.600 -0.088 0.000 1.131 143 S CA -0.814 57.342 58.200 -0.073 0.000 0.826 143 S CB 1.384 64.549 63.200 -0.058 0.000 1.095 143 S HN 0.430 nan 8.310 nan 0.000 0.461 144 R N 0.735 121.159 120.500 -0.128 0.000 2.835 144 R HA 0.291 4.631 4.340 -0.000 0.000 0.271 144 R C -1.583 174.613 176.300 -0.175 0.000 1.013 144 R CA -0.574 55.449 56.100 -0.129 0.000 0.876 144 R CB 0.505 30.714 30.300 -0.151 0.000 1.348 144 R HN 0.791 nan 8.270 nan 0.000 0.453 145 E N 3.132 123.259 120.200 -0.121 0.000 2.757 145 E HA -0.048 4.302 4.350 -0.000 0.000 0.238 145 E C 1.127 177.564 176.600 -0.272 0.000 1.057 145 E CA 0.048 56.392 56.400 -0.093 0.000 0.952 145 E CB 0.326 30.057 29.700 0.052 0.000 0.934 145 E HN 0.527 nan 8.360 nan 0.000 0.518 146 L N 3.127 124.254 121.223 -0.161 0.000 2.012 146 L HA 0.116 4.456 4.340 -0.000 0.000 0.210 146 L C 1.024 177.839 176.870 -0.091 0.000 1.073 146 L CA 1.297 56.033 54.840 -0.174 0.000 0.748 146 L CB -0.860 41.158 42.059 -0.069 0.000 0.891 146 L HN 0.681 nan 8.230 nan 0.000 0.431 147 G N 1.249 110.116 108.800 0.111 0.000 2.362 147 G HA2 0.226 4.186 3.960 -0.000 0.000 0.189 147 G HA3 0.226 4.186 3.960 -0.000 0.000 0.189 147 G C -1.256 173.758 174.900 0.189 0.000 1.374 147 G CA -0.378 44.916 45.100 0.322 0.000 1.140 147 G HN 0.238 nan 8.290 nan 0.000 0.611 148 L N 2.670 124.005 121.223 0.186 0.000 2.466 148 L HA 0.828 5.168 4.340 -0.000 0.000 0.257 148 L C 1.202 178.141 176.870 0.115 0.000 1.189 148 L CA 0.041 54.947 54.840 0.110 0.000 0.813 148 L CB 1.049 43.160 42.059 0.086 0.000 1.118 148 L HN 1.162 nan 8.230 nan 0.000 0.471 149 S N 2.322 118.065 115.700 0.073 0.000 2.552 149 S HA 0.380 4.850 4.470 -0.000 0.000 0.289 149 S C -0.143 174.576 174.600 0.199 0.000 1.304 149 S CA -0.232 58.034 58.200 0.110 0.000 1.063 149 S CB 0.455 63.666 63.200 0.019 0.000 0.848 149 S HN 1.003 nan 8.310 nan 0.000 0.499 150 V N 1.578 121.605 119.914 0.189 0.000 2.735 150 V HA 0.924 5.044 4.120 -0.000 0.000 0.310 150 V C 0.076 176.271 176.094 0.169 0.000 1.061 150 V CA 0.019 62.405 62.300 0.144 0.000 0.913 150 V CB 1.661 33.498 31.823 0.023 0.000 1.005 150 V HN 1.231 nan 8.190 nan 0.000 0.428 151 G N 3.283 112.157 108.800 0.124 0.000 2.524 151 G HA2 0.698 4.658 3.960 -0.000 0.000 0.310 151 G HA3 0.698 4.658 3.960 -0.000 0.000 0.310 151 G C -1.277 173.679 174.900 0.093 0.000 1.279 151 G CA -0.226 44.960 45.100 0.143 0.000 0.974 151 G HN 1.644 nan 8.290 nan 0.000 0.484 152 V N 1.914 121.898 119.914 0.115 0.000 2.876 152 V HA 0.834 4.954 4.120 -0.000 0.000 0.312 152 V C -1.460 174.719 176.094 0.141 0.000 1.085 152 V CA -1.076 61.265 62.300 0.069 0.000 0.945 152 V CB 1.812 33.629 31.823 -0.009 0.000 1.017 152 V HN 0.791 nan 8.190 nan 0.000 0.428 153 I N 5.595 126.237 120.570 0.120 0.000 2.406 153 I HA 0.962 5.132 4.170 -0.000 0.000 0.290 153 I C 0.156 176.344 176.117 0.118 0.000 0.999 153 I CA 0.856 62.248 61.300 0.154 0.000 1.124 153 I CB 1.096 39.163 38.000 0.111 0.000 1.289 153 I HN 1.598 nan 8.210 nan 0.000 0.441 154 G N 5.175 114.057 108.800 0.136 0.000 3.322 154 G HA2 0.209 4.169 3.960 -0.000 0.000 0.686 154 G HA3 0.209 4.169 3.960 -0.000 0.000 0.686 154 G C 0.054 175.013 174.900 0.098 0.000 1.015 154 G CA -0.332 44.836 45.100 0.113 0.000 0.826 154 G HN 1.416 nan 8.290 nan 0.000 0.538 155 A N 1.717 124.609 122.820 0.121 0.000 2.310 155 A HA 0.642 4.961 4.320 -0.000 0.000 0.230 155 A C 1.651 179.303 177.584 0.113 0.000 1.294 155 A CA 1.562 53.697 52.037 0.164 0.000 0.898 155 A CB -0.358 18.777 19.000 0.226 0.000 0.917 155 A HN 2.112 nan 8.150 nan 0.000 0.491 156 G N -0.600 108.225 108.800 0.041 0.000 2.531 156 G HA2 0.423 4.383 3.960 -0.000 0.000 0.281 156 G HA3 0.423 4.383 3.960 -0.000 0.000 0.281 156 G C -1.449 173.383 174.900 -0.113 0.000 1.382 156 G CA -1.006 44.067 45.100 -0.044 0.000 1.045 156 G HN 0.070 nan 8.290 nan 0.000 0.533 157 P HA -0.117 nan 4.420 nan 0.000 0.216 157 P C 2.075 179.242 177.300 -0.222 0.000 1.153 157 P CA 2.304 65.074 63.100 -0.549 0.000 0.858 157 P CB 0.087 31.471 31.700 -0.527 0.000 0.789 158 A N -0.305 122.461 122.820 -0.091 0.000 1.858 158 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 158 A C 2.511 180.114 177.584 0.032 0.000 1.190 158 A CA 2.152 54.185 52.037 -0.007 0.000 0.617 158 A CB -1.847 17.160 19.000 0.012 0.000 0.827 158 A HN 0.279 nan 8.150 nan 0.000 0.443 159 G N -0.558 108.265 108.800 0.038 0.000 2.408 159 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.217 159 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.217 159 G C 1.490 176.447 174.900 0.094 0.000 1.150 159 G CA 1.033 46.164 45.100 0.051 0.000 0.776 159 G HN 0.366 nan 8.290 nan 0.000 0.542 160 L N 1.086 122.422 121.223 0.188 0.000 2.046 160 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 160 L C 3.299 180.364 176.870 0.325 0.000 1.077 160 L CA 1.590 56.639 54.840 0.349 0.000 0.747 160 L CB -0.384 42.114 42.059 0.730 0.000 0.896 160 L HN 0.262 nan 8.230 nan 0.000 0.432 161 A N -0.564 122.448 122.820 0.320 0.000 1.873 161 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 161 A C 2.503 180.159 177.584 0.119 0.000 1.186 161 A CA 1.677 53.857 52.037 0.239 0.000 0.616 161 A CB -0.929 18.186 19.000 0.192 0.000 0.823 161 A HN 0.377 nan 8.150 nan 0.000 0.442 162 A N -0.109 122.757 122.820 0.077 0.000 1.902 162 A HA 0.158 4.478 4.320 -0.000 0.000 0.217 162 A C 2.514 180.102 177.584 0.008 0.000 1.181 162 A CA 2.149 54.198 52.037 0.021 0.000 0.623 162 A CB -1.044 17.951 19.000 -0.008 0.000 0.818 162 A HN 1.054 nan 8.150 nan 0.000 0.443 163 A N -0.375 122.454 122.820 0.016 0.000 1.902 163 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 163 A C 2.027 179.624 177.584 0.020 0.000 1.181 163 A CA 1.888 53.919 52.037 -0.010 0.000 0.623 163 A CB -0.526 18.438 19.000 -0.061 0.000 0.818 163 A HN 0.681 nan 8.150 nan 0.000 0.443 164 E N -0.192 120.039 120.200 0.051 0.000 2.106 164 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 164 E C 1.846 178.467 176.600 0.036 0.000 0.984 164 E CA 1.270 57.697 56.400 0.044 0.000 0.806 164 E CB -0.118 29.605 29.700 0.039 0.000 0.750 164 E HN 0.735 nan 8.360 nan 0.000 0.458 165 E N 0.366 120.586 120.200 0.034 0.000 2.106 165 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 165 E C 2.181 178.801 176.600 0.034 0.000 0.984 165 E CA 0.819 57.233 56.400 0.022 0.000 0.806 165 E CB 0.009 29.718 29.700 0.014 0.000 0.750 165 E HN 0.318 nan 8.360 nan 0.000 0.458 166 L N 0.526 121.776 121.223 0.044 0.000 2.046 166 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 166 L C 2.650 179.644 176.870 0.207 0.000 1.077 166 L CA 1.231 56.139 54.840 0.114 0.000 0.747 166 L CB -0.325 41.746 42.059 0.021 0.000 0.896 166 L HN 0.090 nan 8.230 nan 0.000 0.432 167 R N 0.683 121.249 120.500 0.110 0.000 2.115 167 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 167 R C 2.186 178.515 176.300 0.048 0.000 1.111 167 R CA 1.505 57.658 56.100 0.088 0.000 0.976 167 R CB -0.462 29.869 30.300 0.051 0.000 0.870 167 R HN 0.296 nan 8.270 nan 0.000 0.445 168 A N 0.559 123.399 122.820 0.033 0.000 1.940 168 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 168 A C 1.913 179.485 177.584 -0.019 0.000 1.176 168 A CA 1.826 53.864 52.037 0.001 0.000 0.631 168 A CB -0.390 18.605 19.000 -0.008 0.000 0.814 168 A HN 0.276 nan 8.150 nan 0.000 0.446 169 K N -1.411 118.994 120.400 0.008 0.000 2.209 169 K HA 0.117 4.437 4.320 -0.000 0.000 0.204 169 K C 1.081 177.582 176.600 -0.165 0.000 1.048 169 K CA 0.959 57.219 56.287 -0.045 0.000 0.940 169 K CB -0.296 32.291 32.500 0.144 0.000 0.729 169 K HN 0.932 nan 8.250 nan 0.000 0.451 170 G N -0.623 108.106 108.800 -0.119 0.000 2.237 170 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.153 170 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.153 170 G C -0.771 173.937 174.900 -0.320 0.000 1.039 170 G CA -0.672 44.308 45.100 -0.200 0.000 0.719 170 G HN 0.130 nan 8.290 nan 0.000 0.491 171 Y N 0.206 120.515 120.300 0.014 0.000 2.567 171 Y HA 0.580 5.130 4.550 -0.000 0.000 0.333 171 Y C 0.736 176.644 175.900 0.013 0.000 1.106 171 Y CA -0.924 57.189 58.100 0.022 0.000 1.157 171 Y CB 1.099 39.578 38.460 0.032 0.000 1.277 171 Y HN 0.352 nan 8.280 nan 0.000 0.490 172 E N 1.188 121.508 120.200 0.200 0.000 2.146 172 E HA 0.535 4.885 4.350 -0.000 0.000 0.282 172 E C -1.235 175.431 176.600 0.109 0.000 0.989 172 E CA -0.793 55.675 56.400 0.113 0.000 0.799 172 E CB 1.904 31.654 29.700 0.083 0.000 1.088 172 E HN 0.367 nan 8.360 nan 0.000 0.397 173 V N 2.353 122.302 119.914 0.059 0.000 3.049 173 V HA 0.516 4.636 4.120 -0.000 0.000 0.309 173 V C -1.932 174.146 176.094 -0.026 0.000 1.148 173 V CA -0.679 61.638 62.300 0.029 0.000 0.990 173 V CB 2.177 33.991 31.823 -0.014 0.000 1.039 173 V HN 0.930 nan 8.190 nan 0.000 0.430 174 H N 3.143 122.120 119.070 -0.155 0.000 2.679 174 H HA 0.772 5.328 4.556 -0.000 0.000 0.360 174 H C -1.461 173.612 175.328 -0.425 0.000 1.105 174 H CA -0.174 55.676 56.048 -0.329 0.000 1.196 174 H CB 2.068 31.584 29.762 -0.410 0.000 1.636 174 H HN 0.871 nan 8.280 nan 0.000 0.531 175 V N 6.154 125.348 119.914 -1.200 0.000 2.459 175 V HA 0.437 4.557 4.120 -0.000 0.000 0.295 175 V C -1.622 173.993 176.094 -0.798 0.000 1.029 175 V CA -0.419 61.468 62.300 -0.688 0.000 0.874 175 V CB 0.767 32.220 31.823 -0.616 0.000 0.985 175 V HN 0.779 nan 8.190 nan 0.000 0.438 176 Y N 4.441 124.748 120.300 0.010 0.000 2.331 176 Y HA 0.601 5.151 4.550 -0.000 0.000 0.338 176 Y C 0.042 176.060 175.900 0.197 0.000 0.976 176 Y CA -0.400 57.851 58.100 0.252 0.000 1.137 176 Y CB 1.567 40.191 38.460 0.273 0.000 1.172 176 Y HN 0.846 nan 8.280 nan 0.000 0.478 177 D N 2.134 122.750 120.400 0.360 0.000 2.375 177 D HA 0.263 4.903 4.640 -0.000 0.000 0.247 177 D C 0.961 177.423 176.300 0.270 0.000 1.061 177 D CA -0.707 53.456 54.000 0.271 0.000 0.834 177 D CB 1.249 42.182 40.800 0.222 0.000 1.247 177 D HN 0.520 nan 8.370 nan 0.000 0.489 178 R N 2.809 123.426 120.500 0.195 0.000 2.073 178 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 178 R C 0.036 176.321 176.300 -0.026 0.000 1.134 178 R CA 0.976 57.115 56.100 0.065 0.000 0.952 178 R CB -0.140 30.144 30.300 -0.027 0.000 0.850 178 R HN 0.484 nan 8.270 nan 0.000 0.433 179 Y N 0.791 121.129 120.300 0.064 0.000 2.295 179 Y HA 0.011 4.561 4.550 -0.000 0.000 0.331 179 Y C 1.304 177.235 175.900 0.052 0.000 1.311 179 Y CA -0.318 57.816 58.100 0.057 0.000 1.430 179 Y CB 0.771 39.267 38.460 0.060 0.000 1.339 179 Y HN 0.044 nan 8.280 nan 0.000 0.552 180 D N -0.286 120.248 120.400 0.222 0.000 2.178 180 D HA -0.101 4.539 4.640 -0.000 0.000 0.202 180 D C 0.926 177.282 176.300 0.093 0.000 0.974 180 D CA 1.047 55.114 54.000 0.112 0.000 0.841 180 D CB 0.120 40.965 40.800 0.076 0.000 0.953 180 D HN 0.222 nan 8.370 nan 0.000 0.478 181 R N 0.459 121.037 120.500 0.130 0.000 2.532 181 R HA 0.425 4.765 4.340 -0.000 0.000 0.272 181 R C -0.610 175.726 176.300 0.060 0.000 1.032 181 R CA -0.270 55.864 56.100 0.058 0.000 1.089 181 R CB 0.806 31.126 30.300 0.032 0.000 1.098 181 R HN -0.122 nan 8.270 nan 0.000 0.526 182 M N -0.128 119.478 119.600 0.010 0.000 2.716 182 M HA 0.411 4.891 4.480 -0.000 0.000 0.307 182 M C 0.698 177.003 176.300 0.010 0.000 1.223 182 M CA 0.492 55.800 55.300 0.014 0.000 0.871 182 M CB 2.112 34.675 32.600 -0.061 0.000 1.739 182 M HN 0.846 nan 8.290 nan 0.000 0.475 183 G N -0.370 108.453 108.800 0.037 0.000 2.255 183 G HA2 0.212 4.172 3.960 -0.000 0.000 0.196 183 G HA3 0.212 4.172 3.960 -0.000 0.000 0.196 183 G C 0.601 175.485 174.900 -0.026 0.000 0.998 183 G CA -0.034 45.087 45.100 0.036 0.000 0.656 183 G HN 1.604 nan 8.290 nan 0.000 0.490 184 G N 0.024 108.794 108.800 -0.049 0.000 2.547 184 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.271 184 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.271 184 G C 1.089 175.915 174.900 -0.124 0.000 1.209 184 G CA 0.535 45.566 45.100 -0.115 0.000 0.959 184 G HN 1.187 nan 8.290 nan 0.000 0.563 185 L N 0.919 122.058 121.223 -0.140 0.000 2.191 185 L HA 0.019 4.359 4.340 -0.000 0.000 0.212 185 L C 2.992 179.830 176.870 -0.053 0.000 1.103 185 L CA 1.401 56.183 54.840 -0.097 0.000 0.769 185 L CB -0.511 41.471 42.059 -0.128 0.000 0.908 185 L HN 0.578 nan 8.230 nan 0.000 0.438 186 L N -0.668 120.512 121.223 -0.073 0.000 2.043 186 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 186 L C 2.372 179.214 176.870 -0.046 0.000 1.075 186 L CA 1.692 56.497 54.840 -0.059 0.000 0.752 186 L CB -0.131 41.893 42.059 -0.058 0.000 0.891 186 L HN 0.047 nan 8.230 nan 0.000 0.432 187 V N -0.969 118.926 119.914 -0.032 0.000 2.331 187 V HA -0.244 3.876 4.120 -0.000 0.000 0.242 187 V C 2.207 178.282 176.094 -0.031 0.000 1.034 187 V CA 1.625 63.903 62.300 -0.036 0.000 1.027 187 V CB -0.544 31.265 31.823 -0.024 0.000 0.667 187 V HN 0.509 nan 8.190 nan 0.000 0.457 188 Y N 1.361 121.556 120.300 -0.175 0.000 2.070 188 Y HA -0.083 4.467 4.550 -0.000 0.000 0.279 188 Y C 2.260 178.059 175.900 -0.168 0.000 1.134 188 Y CA 2.249 60.227 58.100 -0.204 0.000 1.113 188 Y CB -0.674 37.632 38.460 -0.256 0.000 0.981 188 Y HN 0.202 nan 8.280 nan 0.000 0.487 189 G N -0.547 108.284 108.800 0.052 0.000 2.559 189 G HA2 0.091 4.051 3.960 -0.000 0.000 0.209 189 G HA3 0.091 4.051 3.960 -0.000 0.000 0.209 189 G C 0.415 175.279 174.900 -0.060 0.000 1.151 189 G CA -0.089 45.000 45.100 -0.017 0.000 0.824 189 G HN 0.218 nan 8.290 nan 0.000 0.543 190 I N 3.760 124.290 120.570 -0.067 0.000 2.598 190 I HA 0.146 4.316 4.170 -0.000 0.000 0.284 190 I C -1.715 174.285 176.117 -0.196 0.000 1.140 190 I CA -1.700 59.540 61.300 -0.100 0.000 1.420 190 I CB 1.103 39.060 38.000 -0.072 0.000 1.387 190 I HN 0.068 nan 8.210 nan 0.000 0.553 191 P HA -0.009 nan 4.420 nan 0.000 0.269 191 P C 0.777 177.736 177.300 -0.568 0.000 1.209 191 P CA -0.040 62.709 63.100 -0.585 0.000 0.776 191 P CB 0.760 31.725 31.700 -1.225 0.000 0.876 192 G N 2.392 110.949 108.800 -0.405 0.000 2.432 192 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 192 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 192 G C 1.108 175.942 174.900 -0.111 0.000 1.135 192 G CA 0.515 45.475 45.100 -0.233 0.000 0.767 192 G HN 0.578 nan 8.290 nan 0.000 0.550 193 F N 0.864 120.903 119.950 0.147 0.000 2.216 193 F HA 0.219 4.746 4.527 -0.000 0.000 0.300 193 F C 2.324 178.161 175.800 0.061 0.000 1.085 193 F CA 1.119 59.175 58.000 0.094 0.000 1.326 193 F CB -0.374 38.662 39.000 0.060 0.000 1.027 193 F HN 0.034 nan 8.300 nan 0.000 0.497 194 K N -0.037 120.285 120.400 -0.130 0.000 2.098 194 K HA 0.127 4.447 4.320 -0.000 0.000 0.203 194 K C -0.067 176.682 176.600 0.249 0.000 1.051 194 K CA 0.543 56.977 56.287 0.246 0.000 0.957 194 K CB 0.011 32.565 32.500 0.090 0.000 0.738 194 K HN 0.160 nan 8.250 nan 0.000 0.447 195 L N 2.019 123.238 121.223 -0.008 0.000 2.401 195 L HA 0.333 4.673 4.340 -0.000 0.000 0.263 195 L C -1.468 175.351 176.870 -0.086 0.000 1.004 195 L CA -0.683 54.131 54.840 -0.043 0.000 0.881 195 L CB 1.115 43.136 42.059 -0.065 0.000 1.219 195 L HN -0.119 nan 8.230 nan 0.000 0.441 196 E N 2.247 122.394 120.200 -0.088 0.000 2.373 196 E HA 0.126 4.476 4.350 -0.000 0.000 0.267 196 E C 0.879 177.411 176.600 -0.112 0.000 1.032 196 E CA 0.277 56.607 56.400 -0.116 0.000 0.889 196 E CB 0.899 30.510 29.700 -0.148 0.000 0.984 196 E HN 0.630 nan 8.360 nan 0.000 0.425 197 K N 0.790 121.120 120.400 -0.117 0.000 2.097 197 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 197 K C 1.915 178.467 176.600 -0.079 0.000 1.049 197 K CA 1.429 57.659 56.287 -0.096 0.000 0.933 197 K CB -0.145 32.290 32.500 -0.107 0.000 0.717 197 K HN 0.283 nan 8.250 nan 0.000 0.442 198 S N 0.665 116.298 115.700 -0.112 0.000 2.440 198 S HA -0.100 4.370 4.470 -0.000 0.000 0.238 198 S C 1.917 176.468 174.600 -0.083 0.000 1.010 198 S CA 0.882 59.020 58.200 -0.105 0.000 0.972 198 S CB -0.375 62.688 63.200 -0.229 0.000 0.774 198 S HN 0.251 nan 8.310 nan 0.000 0.501 199 V N 1.207 121.058 119.914 -0.105 0.000 2.307 199 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 199 V C 2.512 178.628 176.094 0.037 0.000 1.045 199 V CA 1.826 64.096 62.300 -0.052 0.000 1.024 199 V CB -0.528 31.267 31.823 -0.045 0.000 0.651 199 V HN 0.596 nan 8.190 nan 0.000 0.449 200 V N -0.089 119.848 119.914 0.038 0.000 2.427 200 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 200 V C 2.320 178.452 176.094 0.064 0.000 1.051 200 V CA 2.654 65.011 62.300 0.094 0.000 1.048 200 V CB -0.355 31.513 31.823 0.076 0.000 0.666 200 V HN 0.769 nan 8.190 nan 0.000 0.456 201 E N 0.486 120.708 120.200 0.037 0.000 2.110 201 E HA -0.312 4.038 4.350 -0.000 0.000 0.193 201 E C 2.432 179.071 176.600 0.065 0.000 0.988 201 E CA 1.579 57.997 56.400 0.030 0.000 0.804 201 E CB -0.360 29.362 29.700 0.038 0.000 0.745 201 E HN 0.712 nan 8.360 nan 0.000 0.458 202 R N 0.805 121.397 120.500 0.154 0.000 2.081 202 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 202 R C 2.653 178.989 176.300 0.060 0.000 1.131 202 R CA 1.828 58.053 56.100 0.207 0.000 0.960 202 R CB -0.298 30.291 30.300 0.482 0.000 0.856 202 R HN 0.158 nan 8.270 nan 0.000 0.436 203 R N 0.875 121.371 120.500 -0.007 0.000 2.092 203 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 203 R C 2.181 178.360 176.300 -0.202 0.000 1.119 203 R CA 1.523 57.511 56.100 -0.186 0.000 0.970 203 R CB -1.554 28.424 30.300 -0.538 0.000 0.864 203 R HN 0.335 nan 8.270 nan 0.000 0.440 204 V N 1.333 121.176 119.914 -0.119 0.000 2.427 204 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 204 V C 1.778 177.806 176.094 -0.110 0.000 1.051 204 V CA 1.847 64.071 62.300 -0.126 0.000 1.048 204 V CB -0.274 31.430 31.823 -0.198 0.000 0.666 204 V HN 0.114 nan 8.190 nan 0.000 0.456 205 K N 0.375 120.727 120.400 -0.080 0.000 2.097 205 K HA 0.038 4.358 4.320 -0.000 0.000 0.206 205 K C 2.053 178.632 176.600 -0.034 0.000 1.049 205 K CA 1.736 57.988 56.287 -0.059 0.000 0.933 205 K CB -0.679 31.790 32.500 -0.053 0.000 0.717 205 K HN 0.477 nan 8.250 nan 0.000 0.442 206 L N 0.164 121.367 121.223 -0.034 0.000 2.083 206 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 206 L C 2.113 178.981 176.870 -0.002 0.000 1.083 206 L CA 0.847 55.680 54.840 -0.011 0.000 0.752 206 L CB -0.525 41.536 42.059 0.004 0.000 0.899 206 L HN 0.223 nan 8.230 nan 0.000 0.433 207 L N 0.545 121.763 121.223 -0.009 0.000 2.046 207 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 207 L C 2.613 179.539 176.870 0.094 0.000 1.077 207 L CA 2.098 56.966 54.840 0.047 0.000 0.747 207 L CB -1.044 41.075 42.059 0.101 0.000 0.896 207 L HN 0.122 nan 8.230 nan 0.000 0.432 208 A N -0.622 122.258 122.820 0.100 0.000 1.972 208 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 208 A C 2.061 179.683 177.584 0.063 0.000 1.169 208 A CA 1.706 53.812 52.037 0.115 0.000 0.635 208 A CB -0.998 18.034 19.000 0.053 0.000 0.810 208 A HN 0.604 nan 8.150 nan 0.000 0.446 209 D N -0.061 120.360 120.400 0.034 0.000 2.218 209 D HA -0.026 4.614 4.640 -0.000 0.000 0.204 209 D C 1.847 178.163 176.300 0.028 0.000 0.976 209 D CA 1.333 55.347 54.000 0.024 0.000 0.853 209 D CB -0.161 40.648 40.800 0.015 0.000 0.939 209 D HN 0.350 nan 8.370 nan 0.000 0.481 210 A N -0.571 122.270 122.820 0.035 0.000 2.019 210 A HA 0.259 4.579 4.320 -0.000 0.000 0.219 210 A C 2.075 179.679 177.584 0.033 0.000 1.164 210 A CA 1.647 53.703 52.037 0.031 0.000 0.644 210 A CB -0.600 18.421 19.000 0.035 0.000 0.805 210 A HN 0.633 nan 8.150 nan 0.000 0.449 211 G N -2.040 106.786 108.800 0.044 0.000 2.168 211 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.197 211 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.197 211 G C 0.421 175.343 174.900 0.037 0.000 0.997 211 G CA 0.397 45.521 45.100 0.041 0.000 0.658 211 G HN 1.651 nan 8.290 nan 0.000 0.513 212 V N 1.117 121.053 119.914 0.035 0.000 2.843 212 V HA 0.649 4.769 4.120 -0.000 0.000 0.305 212 V C 0.608 176.677 176.094 -0.042 0.000 1.065 212 V CA -0.101 62.169 62.300 -0.051 0.000 1.116 212 V CB 0.926 32.691 31.823 -0.097 0.000 0.968 212 V HN 0.311 nan 8.190 nan 0.000 0.487 213 I N 5.856 126.320 120.570 -0.177 0.000 2.603 213 I HA 0.501 4.671 4.170 -0.000 0.000 0.300 213 I C -1.308 174.557 176.117 -0.420 0.000 1.017 213 I CA -0.695 60.567 61.300 -0.064 0.000 1.098 213 I CB 2.063 40.090 38.000 0.046 0.000 1.279 213 I HN 0.621 nan 8.210 nan 0.000 0.437 214 Y N 2.860 123.022 120.300 -0.230 0.000 2.391 214 Y HA 0.429 4.979 4.550 -0.000 0.000 0.341 214 Y C -0.463 175.353 175.900 -0.140 0.000 0.965 214 Y CA -0.786 57.111 58.100 -0.338 0.000 1.067 214 Y CB 1.496 39.865 38.460 -0.150 0.000 1.199 214 Y HN 0.462 nan 8.280 nan 0.000 0.450 215 H N 4.253 123.280 119.070 -0.071 0.000 2.658 215 H HA 0.391 4.947 4.556 -0.000 0.000 0.337 215 H C -2.339 173.180 175.328 0.318 0.000 1.009 215 H CA -2.394 53.806 56.048 0.254 0.000 1.231 215 H CB 2.360 32.339 29.762 0.362 0.000 1.508 215 H HN 0.298 nan 8.280 nan 0.000 0.517 216 P HA -0.102 nan 4.420 nan 0.000 0.222 216 P C -0.469 176.962 177.300 0.219 0.000 1.147 216 P CA 0.945 64.086 63.100 0.068 0.000 0.790 216 P CB 0.187 31.859 31.700 -0.047 0.000 0.780 217 N N -0.872 118.074 118.700 0.410 0.000 2.735 217 N HA 0.180 4.920 4.740 -0.000 0.000 0.312 217 N C -1.141 174.423 175.510 0.089 0.000 1.843 217 N CA -0.490 52.680 53.050 0.200 0.000 0.945 217 N CB -0.602 37.911 38.487 0.044 0.000 1.299 217 N HN -0.084 nan 8.380 nan 0.000 0.489 218 F N 0.060 120.173 119.950 0.272 0.000 2.520 218 F HA 0.505 5.032 4.527 -0.000 0.000 0.322 218 F C 0.304 176.182 175.800 0.131 0.000 1.103 218 F CA -0.942 57.186 58.000 0.214 0.000 0.926 218 F CB 2.292 41.507 39.000 0.357 0.000 1.154 218 F HN 0.133 nan 8.300 nan 0.000 0.453 219 E N 1.546 121.832 120.200 0.144 0.000 2.288 219 E HA 0.643 4.993 4.350 -0.000 0.000 0.268 219 E C -1.662 174.961 176.600 0.038 0.000 0.885 219 E CA -0.933 55.504 56.400 0.062 0.000 0.767 219 E CB 1.873 31.550 29.700 -0.038 0.000 1.220 219 E HN 0.372 nan 8.360 nan 0.000 0.427 220 V N 2.656 122.584 119.914 0.025 0.000 2.405 220 V HA 0.837 4.957 4.120 -0.000 0.000 0.264 220 V C 0.704 176.792 176.094 -0.009 0.000 1.048 220 V CA 0.580 62.883 62.300 0.005 0.000 0.966 220 V CB -0.368 31.464 31.823 0.016 0.000 1.015 220 V HN 0.846 nan 8.190 nan 0.000 0.477 221 G N 4.567 113.369 108.800 0.003 0.000 2.600 221 G HA2 0.117 4.077 3.960 -0.000 0.000 0.103 221 G HA3 0.117 4.077 3.960 -0.000 0.000 0.103 221 G C 0.316 175.233 174.900 0.029 0.000 1.090 221 G CA -0.256 44.851 45.100 0.012 0.000 1.090 221 G HN 0.431 nan 8.290 nan 0.000 0.500 222 R N 0.127 120.628 120.500 0.002 0.000 2.081 222 R HA -0.018 4.322 4.340 -0.000 0.000 0.235 222 R C 2.123 178.423 176.300 0.000 0.000 1.131 222 R CA 2.072 58.172 56.100 0.000 0.000 0.960 222 R CB -0.326 29.956 30.300 -0.029 0.000 0.856 222 R HN 0.537 nan 8.270 nan 0.000 0.436 223 D N 0.085 120.473 120.400 -0.019 0.000 2.084 223 D HA -0.056 4.584 4.640 -0.000 0.000 0.196 223 D C -0.175 176.132 176.300 0.012 0.000 0.985 223 D CA 1.310 55.303 54.000 -0.013 0.000 0.826 223 D CB 0.129 40.898 40.800 -0.051 0.000 0.978 223 D HN 0.228 nan 8.370 nan 0.000 0.456 224 A N -0.746 122.074 122.820 -0.000 0.000 2.350 224 A HA 0.716 5.036 4.320 -0.000 0.000 0.324 224 A C -0.628 176.936 177.584 -0.035 0.000 1.118 224 A CA -0.525 51.484 52.037 -0.048 0.000 0.783 224 A CB 2.001 20.919 19.000 -0.137 0.000 1.236 224 A HN 0.147 nan 8.150 nan 0.000 0.457 225 S N 0.167 115.839 115.700 -0.046 0.000 2.618 225 S HA 0.404 4.874 4.470 -0.000 0.000 0.277 225 S C 0.795 175.356 174.600 -0.064 0.000 1.138 225 S CA -0.387 57.794 58.200 -0.032 0.000 0.844 225 S CB 1.521 64.725 63.200 0.007 0.000 1.127 225 S HN 1.005 nan 8.310 nan 0.000 0.474 226 L N 3.650 124.830 121.223 -0.071 0.000 2.012 226 L HA 0.050 4.390 4.340 -0.000 0.000 0.210 226 L C -0.829 176.010 176.870 -0.052 0.000 1.073 226 L CA 1.907 56.703 54.840 -0.073 0.000 0.748 226 L CB -0.845 41.168 42.059 -0.078 0.000 0.891 226 L HN 0.496 nan 8.230 nan 0.000 0.431 227 P HA -0.179 nan 4.420 nan 0.000 0.218 227 P C 1.138 178.440 177.300 0.005 0.000 1.149 227 P CA 1.429 64.516 63.100 -0.021 0.000 0.817 227 P CB -0.113 31.574 31.700 -0.022 0.000 0.785 228 E N -0.124 120.076 120.200 0.000 0.000 2.077 228 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 228 E C 2.233 178.863 176.600 0.051 0.000 0.989 228 E CA 0.864 57.274 56.400 0.017 0.000 0.800 228 E CB -0.796 28.903 29.700 -0.001 0.000 0.746 228 E HN 0.272 nan 8.360 nan 0.000 0.452 229 L N 0.796 122.026 121.223 0.012 0.000 2.131 229 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 229 L C 2.458 179.469 176.870 0.236 0.000 1.092 229 L CA 1.040 55.922 54.840 0.070 0.000 0.759 229 L CB -0.294 41.617 42.059 -0.247 0.000 0.903 229 L HN -0.054 nan 8.230 nan 0.000 0.435 230 R N 0.135 120.692 120.500 0.096 0.000 2.127 230 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 230 R C 1.025 177.379 176.300 0.090 0.000 1.134 230 R CA 0.396 56.547 56.100 0.085 0.000 0.975 230 R CB -0.752 29.570 30.300 0.037 0.000 0.865 230 R HN 0.163 nan 8.270 nan 0.000 0.447 231 R N 3.162 123.713 120.500 0.085 0.000 2.457 231 R HA -0.069 4.271 4.340 -0.000 0.000 0.335 231 R C -0.511 175.815 176.300 0.042 0.000 1.003 231 R CA 0.270 56.403 56.100 0.054 0.000 1.003 231 R CB -0.779 29.546 30.300 0.041 0.000 0.950 231 R HN 0.204 nan 8.270 nan 0.000 0.428 232 K N 2.555 122.949 120.400 -0.010 0.000 5.307 232 K HA -0.296 4.024 4.320 -0.000 0.000 0.461 232 K C -1.554 174.897 176.600 -0.248 0.000 1.070 232 K CA 1.620 57.850 56.287 -0.096 0.000 1.173 232 K CB -1.437 30.975 32.500 -0.146 0.000 1.918 232 K HN 0.931 nan 8.250 nan 0.000 0.321 233 H N 0.471 119.563 119.070 0.035 0.000 3.143 233 H HA 0.103 4.659 4.556 -0.000 0.000 0.303 233 H C 0.315 175.681 175.328 0.064 0.000 1.109 233 H CA -0.584 55.492 56.048 0.047 0.000 1.494 233 H CB 1.364 31.151 29.762 0.041 0.000 2.132 233 H HN 0.135 nan 8.280 nan 0.000 0.433 234 V N 1.413 121.444 119.914 0.194 0.000 2.323 234 V HA 0.196 4.316 4.120 -0.000 0.000 0.244 234 V C 1.002 177.217 176.094 0.203 0.000 1.041 234 V CA 2.058 64.471 62.300 0.188 0.000 1.025 234 V CB -0.031 31.890 31.823 0.164 0.000 0.656 234 V HN 0.818 nan 8.190 nan 0.000 0.451 235 A N -1.072 121.844 122.820 0.161 0.000 2.594 235 A HA 0.741 5.061 4.320 -0.000 0.000 0.291 235 A C -1.328 176.310 177.584 0.090 0.000 1.105 235 A CA -0.182 51.930 52.037 0.124 0.000 0.694 235 A CB 2.093 21.162 19.000 0.115 0.000 1.291 235 A HN 0.491 nan 8.150 nan 0.000 0.410 236 V N -0.989 118.983 119.914 0.097 0.000 2.971 236 V HA 0.792 4.912 4.120 -0.000 0.000 0.309 236 V C -0.721 175.443 176.094 0.116 0.000 1.130 236 V CA -0.692 61.644 62.300 0.061 0.000 0.964 236 V CB 1.640 33.471 31.823 0.013 0.000 1.029 236 V HN 1.214 nan 8.190 nan 0.000 0.427 237 L N 4.541 125.811 121.223 0.079 0.000 2.356 237 L HA 0.816 5.156 4.340 -0.000 0.000 0.277 237 L C -0.838 176.078 176.870 0.076 0.000 0.996 237 L CA -0.742 54.154 54.840 0.094 0.000 0.822 237 L CB 2.010 44.093 42.059 0.039 0.000 1.256 237 L HN 0.774 nan 8.230 nan 0.000 0.413 238 V N 2.879 122.841 119.914 0.081 0.000 2.294 238 V HA 0.516 4.636 4.120 -0.000 0.000 0.272 238 V C 0.856 176.991 176.094 0.068 0.000 1.027 238 V CA -0.064 62.276 62.300 0.068 0.000 0.823 238 V CB 0.514 32.371 31.823 0.057 0.000 1.030 238 V HN 0.867 nan 8.190 nan 0.000 0.457 239 A N 2.708 125.568 122.820 0.066 0.000 2.307 239 A HA 0.130 4.450 4.320 -0.000 0.000 0.218 239 A C 1.899 179.518 177.584 0.059 0.000 1.228 239 A CA 0.859 52.930 52.037 0.056 0.000 0.857 239 A CB -0.164 18.866 19.000 0.050 0.000 0.897 239 A HN 0.867 nan 8.150 nan 0.000 0.495 240 T N -0.923 113.680 114.554 0.083 0.000 3.113 240 T HA 0.348 4.698 4.350 -0.000 0.000 0.263 240 T C 1.224 175.983 174.700 0.098 0.000 1.143 240 T CA 1.698 63.863 62.100 0.108 0.000 1.090 240 T CB -0.706 68.254 68.868 0.154 0.000 0.922 240 T HN 1.713 nan 8.240 nan 0.000 0.521 241 G N 0.381 109.215 108.800 0.057 0.000 2.598 241 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 241 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 241 G C -0.249 174.652 174.900 0.001 0.000 1.302 241 G CA -0.200 44.906 45.100 0.010 0.000 0.903 241 G HN 1.285 nan 8.290 nan 0.000 0.575 242 V N -1.764 118.109 119.914 -0.068 0.000 2.275 242 V HA 0.553 4.673 4.120 -0.000 0.000 0.272 242 V C 1.059 177.059 176.094 -0.156 0.000 1.028 242 V CA 0.118 62.329 62.300 -0.148 0.000 0.810 242 V CB 0.049 31.859 31.823 -0.021 0.000 1.043 242 V HN 1.264 nan 8.190 nan 0.000 0.453 243 Y N 3.699 124.037 120.300 0.062 0.000 2.293 243 Y HA 0.156 4.706 4.550 -0.000 0.000 0.291 243 Y C 0.946 176.964 175.900 0.196 0.000 1.137 243 Y CA 0.459 58.598 58.100 0.065 0.000 1.202 243 Y CB -0.425 38.079 38.460 0.073 0.000 0.990 243 Y HN 0.598 nan 8.280 nan 0.000 0.537 244 K N 1.033 121.494 120.400 0.101 0.000 2.245 244 K HA 0.843 5.163 4.320 -0.000 0.000 0.234 244 K C -0.775 176.017 176.600 0.320 0.000 1.021 244 K CA -0.737 55.736 56.287 0.309 0.000 0.898 244 K CB 1.696 34.350 32.500 0.257 0.000 1.163 244 K HN 0.069 nan 8.250 nan 0.000 0.459 245 A N 0.741 123.638 122.820 0.129 0.000 2.313 245 A HA 0.516 4.835 4.320 -0.000 0.000 0.323 245 A C -0.643 176.870 177.584 -0.119 0.000 1.133 245 A CA -1.067 50.839 52.037 -0.218 0.000 0.847 245 A CB 0.790 19.604 19.000 -0.311 0.000 1.308 245 A HN 0.701 nan 8.150 nan 0.000 0.475 246 R N -0.096 120.300 120.500 -0.173 0.000 2.582 246 R HA 0.111 4.451 4.340 -0.000 0.000 0.271 246 R C 0.233 176.508 176.300 -0.041 0.000 1.078 246 R CA -0.283 55.769 56.100 -0.079 0.000 1.127 246 R CB 0.484 30.739 30.300 -0.075 0.000 1.038 246 R HN 0.877 nan 8.270 nan 0.000 0.500 247 D N 2.148 122.544 120.400 -0.006 0.000 2.097 247 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 247 D C 1.585 177.896 176.300 0.019 0.000 0.989 247 D CA 1.205 55.213 54.000 0.013 0.000 0.827 247 D CB 0.095 40.908 40.800 0.023 0.000 0.966 247 D HN 0.543 nan 8.370 nan 0.000 0.456 248 I N 0.110 120.693 120.570 0.022 0.000 2.381 248 I HA -0.278 3.892 4.170 -0.000 0.000 0.255 248 I C 1.814 177.951 176.117 0.032 0.000 1.140 248 I CA 1.051 62.372 61.300 0.034 0.000 1.404 248 I CB 0.020 38.049 38.000 0.049 0.000 1.075 248 I HN -0.023 nan 8.210 nan 0.000 0.433 249 K N 1.372 121.785 120.400 0.022 0.000 2.209 249 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 249 K C 0.850 177.465 176.600 0.024 0.000 1.048 249 K CA 0.943 57.243 56.287 0.021 0.000 0.940 249 K CB -0.739 31.768 32.500 0.013 0.000 0.729 249 K HN 0.500 nan 8.250 nan 0.000 0.451 250 A N 0.817 123.653 122.820 0.026 0.000 6.702 250 A HA -0.146 4.174 4.320 -0.000 0.000 0.279 250 A C -2.317 175.282 177.584 0.026 0.000 2.141 250 A CA -0.141 51.912 52.037 0.027 0.000 0.658 250 A CB -1.944 17.071 19.000 0.026 0.000 1.332 250 A HN 0.190 nan 8.150 nan 0.000 0.388 251 P HA 0.402 nan 4.420 nan 0.000 0.259 251 P C 0.217 177.531 177.300 0.023 0.000 1.211 251 P CA 1.480 64.596 63.100 0.026 0.000 0.810 251 P CB -0.197 31.516 31.700 0.023 0.000 0.815 252 G N 2.027 110.842 108.800 0.025 0.000 2.571 252 G HA2 0.588 4.548 3.960 -0.000 0.000 0.304 252 G HA3 0.588 4.548 3.960 -0.000 0.000 0.304 252 G C -0.867 174.048 174.900 0.025 0.000 1.314 252 G CA -0.576 44.538 45.100 0.022 0.000 0.975 252 G HN 0.513 nan 8.290 nan 0.000 0.485 253 S N -0.162 115.552 115.700 0.023 0.000 2.648 253 S HA 0.676 5.146 4.470 -0.000 0.000 0.305 253 S C 1.327 175.944 174.600 0.028 0.000 1.094 253 S CA -0.020 58.197 58.200 0.028 0.000 0.983 253 S CB 1.785 65.001 63.200 0.025 0.000 1.101 253 S HN 1.115 nan 8.310 nan 0.000 0.514 254 G N 0.285 109.107 108.800 0.035 0.000 2.422 254 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.218 254 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.218 254 G C 1.125 176.044 174.900 0.032 0.000 1.146 254 G CA 0.371 45.495 45.100 0.040 0.000 0.769 254 G HN 0.618 nan 8.290 nan 0.000 0.547 255 L N 0.736 121.976 121.223 0.028 0.000 2.046 255 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 255 L C 3.133 180.015 176.870 0.019 0.000 1.077 255 L CA 1.469 56.323 54.840 0.024 0.000 0.747 255 L CB -0.901 41.170 42.059 0.021 0.000 0.896 255 L HN 0.371 nan 8.230 nan 0.000 0.432 256 G N -0.842 107.969 108.800 0.018 0.000 2.421 256 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 256 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 256 G C 1.247 176.154 174.900 0.011 0.000 1.171 256 G CA 1.426 46.534 45.100 0.014 0.000 0.775 256 G HN 0.497 nan 8.290 nan 0.000 0.543 257 N N -3.225 115.481 118.700 0.011 0.000 2.465 257 N HA -0.100 4.640 4.740 -0.000 0.000 0.328 257 N C -0.475 175.031 175.510 -0.008 0.000 1.406 257 N CA -0.199 52.851 53.050 0.001 0.000 2.699 257 N CB -0.511 37.975 38.487 -0.003 0.000 1.905 257 N HN 0.202 nan 8.380 nan 0.000 1.142 258 I N 2.119 122.690 120.570 0.002 0.000 2.428 258 I HA 0.664 4.834 4.170 -0.000 0.000 0.296 258 I C -0.558 175.565 176.117 0.010 0.000 0.985 258 I CA -0.939 60.358 61.300 -0.006 0.000 1.260 258 I CB 1.523 39.525 38.000 0.004 0.000 1.389 258 I HN -0.016 nan 8.210 nan 0.000 0.484 259 V N 7.283 127.196 119.914 -0.003 0.000 2.851 259 V HA 0.918 5.038 4.120 -0.000 0.000 0.307 259 V C -0.689 175.419 176.094 0.023 0.000 1.129 259 V CA -0.031 62.292 62.300 0.039 0.000 0.932 259 V CB 1.503 33.367 31.823 0.069 0.000 1.024 259 V HN 1.127 nan 8.190 nan 0.000 0.426 260 A N 4.400 127.256 122.820 0.059 0.000 2.271 260 A HA 0.870 5.190 4.320 -0.000 0.000 0.288 260 A C 1.485 179.136 177.584 0.111 0.000 1.094 260 A CA 0.057 52.120 52.037 0.043 0.000 0.828 260 A CB 1.238 20.265 19.000 0.044 0.000 1.091 260 A HN 2.238 nan 8.150 nan 0.000 0.493 261 A N 0.250 123.128 122.820 0.096 0.000 1.978 261 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 261 A C 1.915 179.713 177.584 0.358 0.000 1.170 261 A CA 1.652 53.828 52.037 0.232 0.000 0.636 261 A CB -0.709 18.445 19.000 0.256 0.000 0.810 261 A HN 1.147 nan 8.150 nan 0.000 0.448 262 L N -0.542 120.939 121.223 0.430 0.000 2.042 262 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 262 L C 1.705 178.742 176.870 0.278 0.000 1.076 262 L CA 2.820 57.972 54.840 0.521 0.000 0.749 262 L CB -0.616 41.810 42.059 0.612 0.000 0.893 262 L HN 0.340 nan 8.230 nan 0.000 0.432 263 D N -1.145 119.380 120.400 0.207 0.000 2.103 263 D HA -0.198 4.442 4.640 -0.000 0.000 0.199 263 D C 1.865 178.217 176.300 0.085 0.000 0.978 263 D CA 1.411 55.490 54.000 0.132 0.000 0.829 263 D CB -0.249 40.631 40.800 0.133 0.000 0.981 263 D HN 0.409 nan 8.370 nan 0.000 0.464 264 Y N 1.134 121.441 120.300 0.012 0.000 2.163 264 Y HA -0.070 4.480 4.550 -0.000 0.000 0.288 264 Y C 1.927 177.806 175.900 -0.035 0.000 1.136 264 Y CA 1.265 59.362 58.100 -0.005 0.000 1.147 264 Y CB -0.302 38.166 38.460 0.013 0.000 0.987 264 Y HN -0.072 nan 8.280 nan 0.000 0.509 265 L N -0.992 120.213 121.223 -0.030 0.000 2.046 265 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 265 L C 2.282 178.950 176.870 -0.336 0.000 1.077 265 L CA 2.046 56.788 54.840 -0.164 0.000 0.747 265 L CB -1.037 41.015 42.059 -0.011 0.000 0.896 265 L HN 0.242 nan 8.230 nan 0.000 0.432 266 T N -1.494 112.785 114.554 -0.458 0.000 2.821 266 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 266 T C 1.921 176.385 174.700 -0.393 0.000 1.046 266 T CA 1.963 63.677 62.100 -0.643 0.000 1.139 266 T CB -0.138 68.197 68.868 -0.888 0.000 0.871 266 T HN 0.401 nan 8.240 nan 0.000 0.454 267 T N 0.476 114.844 114.554 -0.310 0.000 2.821 267 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 267 T C 2.260 176.807 174.700 -0.255 0.000 1.046 267 T CA 1.931 63.894 62.100 -0.229 0.000 1.139 267 T CB -0.503 68.264 68.868 -0.168 0.000 0.871 267 T HN 0.335 nan 8.240 nan 0.000 0.454 268 S N 0.914 116.404 115.700 -0.350 0.000 2.383 268 S HA -0.138 4.332 4.470 -0.000 0.000 0.227 268 S C 2.178 176.605 174.600 -0.289 0.000 1.026 268 S CA 1.750 59.786 58.200 -0.274 0.000 0.981 268 S CB -0.940 62.107 63.200 -0.255 0.000 0.818 268 S HN 0.757 nan 8.310 nan 0.000 0.472 269 N N 0.574 119.092 118.700 -0.303 0.000 2.084 269 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 269 N C 1.750 177.097 175.510 -0.272 0.000 1.030 269 N CA 1.293 54.162 53.050 -0.302 0.000 0.849 269 N CB -0.214 38.103 38.487 -0.282 0.000 1.012 269 N HN 0.437 nan 8.380 nan 0.000 0.423 270 K N 0.393 120.652 120.400 -0.234 0.000 2.057 270 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 270 K C 2.169 178.668 176.600 -0.169 0.000 1.049 270 K CA 1.551 57.729 56.287 -0.182 0.000 0.931 270 K CB 0.004 32.419 32.500 -0.142 0.000 0.714 270 K HN 0.213 nan 8.250 nan 0.000 0.440 271 V N -1.436 118.376 119.914 -0.171 0.000 2.379 271 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 271 V C 2.223 178.203 176.094 -0.189 0.000 1.044 271 V CA 1.982 64.206 62.300 -0.127 0.000 1.036 271 V CB -0.603 31.168 31.823 -0.088 0.000 0.664 271 V HN 0.220 nan 8.190 nan 0.000 0.453 272 S N -0.472 115.013 115.700 -0.359 0.000 2.406 272 S HA 0.091 4.560 4.470 -0.000 0.000 0.228 272 S C 0.769 175.149 174.600 -0.367 0.000 1.020 272 S CA 0.426 58.293 58.200 -0.556 0.000 0.965 272 S CB -0.343 62.131 63.200 -1.209 0.000 0.798 272 S HN 0.327 nan 8.310 nan 0.000 0.488 273 L N 1.805 122.859 121.223 -0.281 0.000 2.287 273 L HA 0.493 4.833 4.340 -0.000 0.000 0.287 273 L C 1.532 178.309 176.870 -0.155 0.000 1.022 273 L CA 0.039 54.755 54.840 -0.207 0.000 0.814 273 L CB 0.422 42.365 42.059 -0.194 0.000 1.217 273 L HN 0.261 nan 8.230 nan 0.000 0.420 274 G N 2.230 110.959 108.800 -0.118 0.000 2.421 274 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 274 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 274 G C 1.036 175.863 174.900 -0.120 0.000 1.171 274 G CA 0.574 45.616 45.100 -0.096 0.000 0.775 274 G HN 0.736 nan 8.290 nan 0.000 0.543 275 D N 0.016 120.359 120.400 -0.096 0.000 2.269 275 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 275 D C 2.255 178.494 176.300 -0.101 0.000 0.963 275 D CA 1.204 55.151 54.000 -0.087 0.000 0.864 275 D CB -0.181 40.586 40.800 -0.055 0.000 0.936 275 D HN 0.193 nan 8.370 nan 0.000 0.505 276 T N -0.211 114.276 114.554 -0.111 0.000 2.635 276 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 276 T C 0.908 175.550 174.700 -0.097 0.000 1.040 276 T CA 0.833 62.873 62.100 -0.099 0.000 1.156 276 T CB 0.256 69.055 68.868 -0.115 0.000 0.863 276 T HN -0.059 nan 8.240 nan 0.000 0.430 277 V N 1.371 121.204 119.914 -0.135 0.000 2.962 277 V HA 0.225 4.345 4.120 -0.000 0.000 0.313 277 V C 0.901 176.874 176.094 -0.202 0.000 1.099 277 V CA -0.824 61.400 62.300 -0.127 0.000 0.971 277 V CB 2.265 34.020 31.823 -0.114 0.000 1.028 277 V HN 0.383 nan 8.190 nan 0.000 0.430 278 E N 2.851 122.951 120.200 -0.167 0.000 2.072 278 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 278 E C 0.909 177.316 176.600 -0.322 0.000 0.985 278 E CA 1.113 57.388 56.400 -0.209 0.000 0.801 278 E CB -0.185 29.454 29.700 -0.102 0.000 0.750 278 E HN 0.657 nan 8.360 nan 0.000 0.452 279 A N 1.086 123.786 122.820 -0.201 0.000 2.462 279 A HA 0.263 4.583 4.320 -0.000 0.000 0.243 279 A C -0.900 176.533 177.584 -0.252 0.000 1.076 279 A CA -0.308 51.645 52.037 -0.141 0.000 0.773 279 A CB -0.238 18.739 19.000 -0.039 0.000 1.010 279 A HN 0.179 nan 8.150 nan 0.000 0.493 280 Y N 0.488 120.777 120.300 -0.018 0.000 2.316 280 Y HA 0.336 4.886 4.550 -0.000 0.000 0.331 280 Y C 0.763 176.649 175.900 -0.024 0.000 1.083 280 Y CA -0.146 57.939 58.100 -0.025 0.000 1.206 280 Y CB 1.058 39.505 38.460 -0.021 0.000 1.195 280 Y HN 0.790 nan 8.280 nan 0.000 0.497 281 E N 2.911 123.157 120.200 0.076 0.000 1.858 281 E HA 0.019 4.368 4.350 -0.000 0.000 0.267 281 E C 0.292 176.929 176.600 0.062 0.000 1.215 281 E CA 0.368 56.791 56.400 0.040 0.000 0.952 281 E CB -0.440 29.255 29.700 -0.009 0.000 1.058 281 E HN 0.611 nan 8.360 nan 0.000 0.407 282 N N 3.066 121.809 118.700 0.071 0.000 2.309 282 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 282 N C 1.523 177.052 175.510 0.032 0.000 1.018 282 N CA 0.927 54.008 53.050 0.052 0.000 0.876 282 N CB 0.085 38.599 38.487 0.044 0.000 0.972 282 N HN 0.609 nan 8.380 nan 0.000 0.434 283 G N 0.646 109.463 108.800 0.027 0.000 2.450 283 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.220 283 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.220 283 G C 0.530 175.442 174.900 0.020 0.000 1.130 283 G CA 1.166 46.278 45.100 0.020 0.000 0.760 283 G HN 0.431 nan 8.290 nan 0.000 0.557 284 S N -2.677 113.035 115.700 0.020 0.000 4.014 284 S HA -0.159 4.311 4.470 -0.000 0.000 0.640 284 S C -0.183 174.426 174.600 0.016 0.000 1.561 284 S CA -0.097 58.116 58.200 0.023 0.000 1.726 284 S CB -1.387 61.830 63.200 0.027 0.000 0.326 284 S HN 0.658 nan 8.310 nan 0.000 1.792 285 L N 2.440 123.682 121.223 0.032 0.000 2.467 285 L HA 0.344 4.684 4.340 -0.000 0.000 0.270 285 L C 0.944 177.833 176.870 0.033 0.000 1.205 285 L CA -0.083 54.778 54.840 0.036 0.000 0.828 285 L CB 0.052 42.170 42.059 0.098 0.000 1.101 285 L HN 0.606 nan 8.230 nan 0.000 0.479 286 N N 1.287 120.000 118.700 0.022 0.000 2.454 286 N HA 0.211 4.951 4.740 -0.000 0.000 0.254 286 N C -0.322 175.233 175.510 0.074 0.000 1.228 286 N CA 0.014 53.094 53.050 0.050 0.000 0.900 286 N CB 0.722 39.259 38.487 0.084 0.000 1.089 286 N HN 0.665 nan 8.380 nan 0.000 0.449 287 A N 1.270 124.127 122.820 0.062 0.000 2.310 287 A HA 0.597 4.917 4.320 -0.000 0.000 0.300 287 A C -0.090 177.529 177.584 0.058 0.000 1.269 287 A CA -0.593 51.475 52.037 0.052 0.000 0.909 287 A CB -0.216 18.805 19.000 0.035 0.000 1.144 287 A HN 0.636 nan 8.150 nan 0.000 0.540 288 A N 2.784 125.640 122.820 0.060 0.000 2.287 288 A HA 0.771 5.091 4.320 -0.000 0.000 0.317 288 A C 0.294 177.884 177.584 0.009 0.000 1.220 288 A CA 0.104 52.165 52.037 0.039 0.000 0.835 288 A CB 0.826 19.857 19.000 0.051 0.000 1.180 288 A HN 1.569 nan 8.150 nan 0.000 0.500 289 G N 1.116 109.915 108.800 -0.002 0.000 2.571 289 G HA2 0.622 4.582 3.960 -0.000 0.000 0.304 289 G HA3 0.622 4.582 3.960 -0.000 0.000 0.304 289 G C -0.362 174.533 174.900 -0.010 0.000 1.314 289 G CA -0.076 45.021 45.100 -0.005 0.000 0.975 289 G HN 1.242 nan 8.290 nan 0.000 0.485 290 K N -0.711 119.685 120.400 -0.006 0.000 1.804 290 K HA -0.235 4.085 4.320 -0.000 0.000 0.814 290 K C -0.336 176.271 176.600 0.011 0.000 2.081 290 K CA 0.322 56.617 56.287 0.014 0.000 1.325 290 K CB -1.121 31.395 32.500 0.027 0.000 2.487 290 K HN 1.065 nan 8.250 nan 0.000 0.272 291 H N -0.157 118.888 119.070 -0.042 0.000 2.764 291 H HA 0.484 5.040 4.556 -0.000 0.000 0.341 291 H C -0.936 174.349 175.328 -0.072 0.000 1.072 291 H CA 0.338 56.352 56.048 -0.056 0.000 1.444 291 H CB 0.884 30.617 29.762 -0.048 0.000 1.458 291 H HN 0.370 nan 8.280 nan 0.000 0.572 292 V N 6.246 125.602 119.914 -0.930 0.000 2.604 292 V HA 0.312 4.431 4.120 -0.000 0.000 0.305 292 V C -0.775 174.774 176.094 -0.908 0.000 1.043 292 V CA -0.833 61.071 62.300 -0.659 0.000 0.888 292 V CB 2.014 33.582 31.823 -0.426 0.000 0.995 292 V HN 0.637 nan 8.190 nan 0.000 0.429 293 V N 5.634 125.269 119.914 -0.465 0.000 2.448 293 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 293 V C -0.464 175.477 176.094 -0.255 0.000 1.025 293 V CA -0.420 61.722 62.300 -0.263 0.000 0.859 293 V CB 2.112 33.905 31.823 -0.049 0.000 0.988 293 V HN 0.582 nan 8.190 nan 0.000 0.431 294 V N 6.813 126.560 119.914 -0.278 0.000 2.448 294 V HA 0.494 4.614 4.120 -0.000 0.000 0.295 294 V C -0.405 175.529 176.094 -0.268 0.000 1.025 294 V CA -0.526 61.618 62.300 -0.261 0.000 0.859 294 V CB 1.910 33.569 31.823 -0.272 0.000 0.988 294 V HN 0.590 nan 8.190 nan 0.000 0.431 295 L N 5.234 126.336 121.223 -0.201 0.000 2.298 295 L HA 0.883 5.223 4.340 -0.000 0.000 0.284 295 L C 0.360 177.143 176.870 -0.145 0.000 1.013 295 L CA -0.066 54.658 54.840 -0.192 0.000 0.824 295 L CB 1.327 43.314 42.059 -0.120 0.000 1.221 295 L HN 0.865 nan 8.230 nan 0.000 0.418 296 G N 1.471 110.171 108.800 -0.167 0.000 2.368 296 G HA2 0.221 4.181 3.960 -0.000 0.000 0.301 296 G HA3 0.221 4.181 3.960 -0.000 0.000 0.301 296 G C 0.156 175.123 174.900 0.112 0.000 1.640 296 G CA -0.201 44.890 45.100 -0.016 0.000 0.941 296 G HN 0.620 nan 8.290 nan 0.000 0.695 297 G N -0.389 108.581 108.800 0.285 0.000 2.539 297 G HA2 0.485 4.445 3.960 -0.000 0.000 0.215 297 G HA3 0.485 4.445 3.960 -0.000 0.000 0.215 297 G C 1.042 176.082 174.900 0.234 0.000 1.141 297 G CA 1.409 46.728 45.100 0.366 0.000 0.806 297 G HN 1.244 nan 8.290 nan 0.000 0.533 298 G N 0.052 108.960 108.800 0.178 0.000 2.543 298 G HA2 0.357 4.317 3.960 -0.000 0.000 0.267 298 G HA3 0.357 4.317 3.960 -0.000 0.000 0.267 298 G C 0.303 175.295 174.900 0.153 0.000 1.406 298 G CA 0.115 45.307 45.100 0.154 0.000 1.048 298 G HN -0.004 nan 8.290 nan 0.000 0.548 299 D N -0.792 119.692 120.400 0.140 0.000 2.123 299 D HA -0.070 4.570 4.640 -0.000 0.000 0.196 299 D C 2.675 179.058 176.300 0.138 0.000 0.992 299 D CA 1.738 55.817 54.000 0.132 0.000 0.833 299 D CB -0.154 40.712 40.800 0.112 0.000 0.954 299 D HN 0.287 nan 8.370 nan 0.000 0.455 300 T N -0.069 114.577 114.554 0.154 0.000 2.708 300 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 300 T C 1.968 176.746 174.700 0.131 0.000 1.037 300 T CA 1.496 63.699 62.100 0.173 0.000 1.146 300 T CB -0.376 68.631 68.868 0.232 0.000 0.865 300 T HN 0.203 nan 8.240 nan 0.000 0.435 301 A N 2.585 125.464 122.820 0.099 0.000 1.902 301 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 301 A C 2.397 180.011 177.584 0.051 0.000 1.181 301 A CA 1.943 54.005 52.037 0.042 0.000 0.623 301 A CB -0.696 18.314 19.000 0.016 0.000 0.818 301 A HN 0.661 nan 8.150 nan 0.000 0.443 302 M N -1.322 118.344 119.600 0.110 0.000 2.175 302 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 302 M C 0.977 177.356 176.300 0.131 0.000 1.063 302 M CA 2.004 57.381 55.300 0.128 0.000 1.119 302 M CB -1.014 31.697 32.600 0.184 0.000 1.377 302 M HN 0.149 nan 8.290 nan 0.000 0.415 303 D N 1.670 122.158 120.400 0.146 0.000 2.144 303 D HA -0.085 4.555 4.640 -0.000 0.000 0.200 303 D C 2.368 178.794 176.300 0.210 0.000 0.978 303 D CA 1.848 55.959 54.000 0.185 0.000 0.833 303 D CB -0.233 40.648 40.800 0.134 0.000 0.961 303 D HN 0.690 nan 8.370 nan 0.000 0.470 304 C N -0.291 119.107 119.300 0.163 0.000 2.435 304 C HA 0.052 4.512 4.460 -0.000 0.000 0.279 304 C C 2.758 177.787 174.990 0.065 0.000 1.321 304 C CA -0.309 58.812 59.018 0.172 0.000 1.752 304 C CB -1.157 26.635 27.740 0.087 0.000 1.959 304 C HN 0.033 nan 8.230 nan 0.000 0.500 305 V N 1.489 121.402 119.914 -0.002 0.000 2.261 305 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 305 V C 3.142 179.217 176.094 -0.031 0.000 1.047 305 V CA 2.248 64.499 62.300 -0.081 0.000 1.015 305 V CB -0.613 31.147 31.823 -0.105 0.000 0.642 305 V HN 0.522 nan 8.190 nan 0.000 0.446 306 R N -0.619 119.903 120.500 0.036 0.000 2.092 306 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 306 R C 2.455 178.772 176.300 0.028 0.000 1.119 306 R CA 1.793 57.883 56.100 -0.016 0.000 0.970 306 R CB -0.684 29.603 30.300 -0.021 0.000 0.864 306 R HN 0.578 nan 8.270 nan 0.000 0.440 307 T N 0.032 114.730 114.554 0.240 0.000 2.867 307 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 307 T C 1.913 176.756 174.700 0.239 0.000 1.057 307 T CA 1.167 63.459 62.100 0.319 0.000 1.136 307 T CB -0.055 69.070 68.868 0.429 0.000 0.874 307 T HN 0.308 nan 8.240 nan 0.000 0.466 308 A N 2.054 124.995 122.820 0.202 0.000 1.933 308 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 308 A C 2.320 179.916 177.584 0.020 0.000 1.175 308 A CA 1.695 53.805 52.037 0.122 0.000 0.628 308 A CB -0.867 18.076 19.000 -0.094 0.000 0.814 308 A HN 0.851 nan 8.150 nan 0.000 0.444 309 I N -3.871 116.665 120.570 -0.056 0.000 2.394 309 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 309 I C 2.191 178.235 176.117 -0.120 0.000 1.136 309 I CA 1.147 62.387 61.300 -0.100 0.000 1.425 309 I CB -0.477 37.440 38.000 -0.139 0.000 1.079 309 I HN 0.014 nan 8.210 nan 0.000 0.425 310 R N 2.095 122.496 120.500 -0.165 0.000 2.105 310 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 310 R C 1.950 178.181 176.300 -0.115 0.000 1.135 310 R CA 1.843 57.768 56.100 -0.292 0.000 0.967 310 R CB -0.862 29.122 30.300 -0.527 0.000 0.861 310 R HN 0.756 nan 8.270 nan 0.000 0.442 311 Q N -0.779 119.026 119.800 0.010 0.000 2.228 311 Q HA 0.259 4.599 4.340 -0.000 0.000 0.211 311 Q C 0.344 176.361 176.000 0.028 0.000 0.890 311 Q CA 0.489 56.327 55.803 0.058 0.000 0.953 311 Q CB 0.480 29.297 28.738 0.131 0.000 1.053 311 Q HN 0.285 nan 8.270 nan 0.000 0.471 312 G N 0.048 108.841 108.800 -0.012 0.000 2.141 312 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.231 312 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.231 312 G C 0.275 175.160 174.900 -0.024 0.000 0.984 312 G CA -0.255 44.835 45.100 -0.018 0.000 0.660 312 G HN 0.771 nan 8.290 nan 0.000 0.525 313 A N 0.407 123.205 122.820 -0.035 0.000 2.511 313 A HA 0.610 4.930 4.320 -0.000 0.000 0.242 313 A C 1.739 179.290 177.584 -0.055 0.000 1.069 313 A CA 1.477 53.481 52.037 -0.055 0.000 0.763 313 A CB 0.216 19.159 19.000 -0.095 0.000 1.001 313 A HN 1.367 nan 8.150 nan 0.000 0.498 314 T N 0.117 114.646 114.554 -0.042 0.000 2.770 314 T HA 0.130 4.480 4.350 -0.000 0.000 0.263 314 T C 0.793 175.474 174.700 -0.032 0.000 1.039 314 T CA 1.302 63.385 62.100 -0.027 0.000 1.142 314 T CB -0.124 68.741 68.868 -0.006 0.000 0.868 314 T HN 0.520 nan 8.240 nan 0.000 0.435 315 S N -0.562 115.114 115.700 -0.039 0.000 2.564 315 S HA 0.696 5.166 4.470 -0.000 0.000 0.274 315 S C -1.446 173.075 174.600 -0.132 0.000 1.124 315 S CA -0.768 57.413 58.200 -0.032 0.000 0.869 315 S CB 2.655 65.900 63.200 0.074 0.000 1.105 315 S HN 0.218 nan 8.310 nan 0.000 0.472 316 V N 2.441 122.261 119.914 -0.156 0.000 2.709 316 V HA 0.586 4.706 4.120 -0.000 0.000 0.308 316 V C -0.652 175.294 176.094 -0.246 0.000 1.062 316 V CA -0.689 61.443 62.300 -0.280 0.000 0.901 316 V CB 2.050 33.722 31.823 -0.252 0.000 1.003 316 V HN 0.802 nan 8.190 nan 0.000 0.425 317 K N 3.956 124.190 120.400 -0.276 0.000 2.376 317 K HA 0.606 4.925 4.320 -0.000 0.000 0.257 317 K C -1.175 175.208 176.600 -0.361 0.000 0.939 317 K CA -0.382 55.786 56.287 -0.197 0.000 0.809 317 K CB 1.569 34.148 32.500 0.131 0.000 1.121 317 K HN 0.730 nan 8.250 nan 0.000 0.425 318 C N 7.255 126.227 119.300 -0.547 0.000 2.264 318 C HA 0.479 4.939 4.460 -0.000 0.000 0.324 318 C C -0.420 174.079 174.990 -0.819 0.000 1.267 318 C CA -0.884 57.719 59.018 -0.692 0.000 1.618 318 C CB -0.523 26.742 27.740 -0.792 0.000 2.278 318 C HN 0.862 nan 8.230 nan 0.000 0.499 319 L N 7.179 127.974 121.223 -0.714 0.000 2.295 319 L HA 0.611 4.951 4.340 -0.000 0.000 0.285 319 L C -1.613 174.827 176.870 -0.716 0.000 1.035 319 L CA -0.246 54.249 54.840 -0.575 0.000 0.806 319 L CB 1.092 42.977 42.059 -0.290 0.000 1.214 319 L HN 0.711 nan 8.230 nan 0.000 0.426 320 Y N 3.609 123.775 120.300 -0.224 0.000 2.393 320 Y HA 0.358 4.908 4.550 -0.000 0.000 0.341 320 Y C 0.786 176.714 175.900 0.046 0.000 0.988 320 Y CA -1.013 56.987 58.100 -0.166 0.000 1.078 320 Y CB 1.592 39.800 38.460 -0.420 0.000 1.203 320 Y HN 0.632 nan 8.280 nan 0.000 0.453 321 R N 0.336 120.981 120.500 0.243 0.000 2.075 321 R HA -0.022 4.317 4.340 -0.000 0.000 0.232 321 R C 0.876 177.345 176.300 0.283 0.000 1.126 321 R CA 0.931 57.169 56.100 0.230 0.000 0.963 321 R CB -0.254 30.163 30.300 0.194 0.000 0.858 321 R HN 0.516 nan 8.270 nan 0.000 0.435 322 R N 0.951 121.656 120.500 0.342 0.000 2.519 322 R HA 0.159 4.499 4.340 -0.000 0.000 0.244 322 R C -0.508 176.039 176.300 0.412 0.000 1.241 322 R CA -0.389 55.894 56.100 0.306 0.000 1.120 322 R CB 0.155 30.592 30.300 0.228 0.000 1.333 322 R HN 0.223 nan 8.270 nan 0.000 0.587 323 D N -0.897 119.589 120.400 0.143 0.000 2.358 323 D HA 0.045 4.685 4.640 -0.000 0.000 0.244 323 D C 0.674 176.463 176.300 -0.851 0.000 1.163 323 D CA -0.081 53.815 54.000 -0.173 0.000 0.945 323 D CB 0.858 41.561 40.800 -0.162 0.000 1.152 323 D HN 0.569 nan 8.370 nan 0.000 0.451 324 R N 2.056 121.515 120.500 -1.735 0.000 2.096 324 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 324 R C 1.937 177.337 176.300 -1.501 0.000 1.127 324 R CA 1.375 55.710 56.100 -2.941 0.000 0.968 324 R CB -0.387 28.910 30.300 -1.672 0.000 0.861 324 R HN 0.401 nan 8.270 nan 0.000 0.440 325 K N 2.081 122.027 120.400 -0.756 0.000 2.103 325 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 325 K C 0.147 176.572 176.600 -0.291 0.000 1.048 325 K CA 1.678 57.713 56.287 -0.420 0.000 0.930 325 K CB -0.085 32.260 32.500 -0.259 0.000 0.716 325 K HN 0.386 nan 8.250 nan 0.000 0.444 326 N N 1.356 119.917 118.700 -0.233 0.000 3.271 326 N HA 0.069 4.809 4.740 -0.000 0.000 0.303 326 N C -0.754 174.787 175.510 0.052 0.000 1.415 326 N CA -0.360 52.652 53.050 -0.064 0.000 1.159 326 N CB 0.391 38.868 38.487 -0.017 0.000 1.432 326 N HN 0.130 nan 8.380 nan 0.000 0.521 327 M N 0.735 120.386 119.600 0.084 0.000 2.188 327 M HA 0.370 4.850 4.480 -0.000 0.000 0.354 327 M C -1.726 174.648 176.300 0.123 0.000 1.342 327 M CA -1.246 54.194 55.300 0.233 0.000 1.117 327 M CB 1.116 33.941 32.600 0.375 0.000 1.670 327 M HN -0.057 nan 8.290 nan 0.000 0.466 328 P HA 0.050 nan 4.420 nan 0.000 0.217 328 P C 0.176 177.543 177.300 0.111 0.000 1.150 328 P CA 0.923 64.092 63.100 0.114 0.000 0.832 328 P CB -0.096 31.678 31.700 0.122 0.000 0.787 329 G N -0.558 108.314 108.800 0.120 0.000 2.539 329 G HA2 0.262 4.222 3.960 -0.000 0.000 0.258 329 G HA3 0.262 4.222 3.960 -0.000 0.000 0.258 329 G C 0.051 175.010 174.900 0.098 0.000 1.202 329 G CA -0.163 45.006 45.100 0.115 0.000 0.851 329 G HN 0.000 nan 8.290 nan 0.000 0.556 330 S N -0.468 115.286 115.700 0.088 0.000 2.624 330 S HA 0.126 4.596 4.470 -0.000 0.000 0.263 330 S C 1.757 176.401 174.600 0.073 0.000 1.287 330 S CA -0.032 58.211 58.200 0.072 0.000 0.990 330 S CB 1.378 64.615 63.200 0.062 0.000 0.950 330 S HN 0.771 nan 8.310 nan 0.000 0.561 331 Q N 1.394 121.223 119.800 0.049 0.000 2.124 331 Q HA -0.118 4.221 4.340 -0.000 0.000 0.202 331 Q C 1.634 177.660 176.000 0.043 0.000 0.977 331 Q CA 1.513 57.336 55.803 0.033 0.000 0.850 331 Q CB -0.259 28.483 28.738 0.007 0.000 0.901 331 Q HN 0.415 nan 8.270 nan 0.000 0.429 332 R N 1.083 121.622 120.500 0.066 0.000 2.081 332 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 332 R C 2.210 178.595 176.300 0.141 0.000 1.131 332 R CA 1.900 58.048 56.100 0.080 0.000 0.960 332 R CB -0.386 30.004 30.300 0.149 0.000 0.856 332 R HN 0.825 nan 8.270 nan 0.000 0.436 333 E N 0.307 120.616 120.200 0.181 0.000 2.152 333 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 333 E C 1.590 178.318 176.600 0.212 0.000 0.983 333 E CA 1.325 57.874 56.400 0.248 0.000 0.818 333 E CB -0.238 29.582 29.700 0.200 0.000 0.758 333 E HN 0.222 nan 8.360 nan 0.000 0.467 334 V N 0.053 120.056 119.914 0.148 0.000 2.490 334 V HA -0.130 3.990 4.120 -0.000 0.000 0.250 334 V C 2.614 178.781 176.094 0.121 0.000 1.061 334 V CA 1.357 63.748 62.300 0.150 0.000 1.064 334 V CB -1.032 30.838 31.823 0.078 0.000 0.670 334 V HN 0.396 nan 8.190 nan 0.000 0.461 335 A N 0.200 123.044 122.820 0.041 0.000 1.940 335 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 335 A C 1.993 179.541 177.584 -0.060 0.000 1.176 335 A CA 2.269 54.280 52.037 -0.044 0.000 0.631 335 A CB -0.945 17.969 19.000 -0.143 0.000 0.814 335 A HN 0.706 nan 8.150 nan 0.000 0.446 336 H N -0.476 118.613 119.070 0.031 0.000 2.353 336 H HA 0.029 4.585 4.556 -0.000 0.000 0.300 336 H C 2.466 177.802 175.328 0.014 0.000 1.090 336 H CA 1.733 57.776 56.048 -0.008 0.000 1.327 336 H CB -0.117 29.616 29.762 -0.049 0.000 1.383 336 H HN 0.533 nan 8.280 nan 0.000 0.508 337 A N 0.685 123.627 122.820 0.203 0.000 1.902 337 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 337 A C 2.213 179.918 177.584 0.201 0.000 1.181 337 A CA 1.778 53.923 52.037 0.179 0.000 0.623 337 A CB -0.452 18.711 19.000 0.272 0.000 0.818 337 A HN 0.597 nan 8.150 nan 0.000 0.443 338 E N -0.005 120.355 120.200 0.266 0.000 2.077 338 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 338 E C 1.836 178.509 176.600 0.122 0.000 0.989 338 E CA 1.375 57.930 56.400 0.258 0.000 0.800 338 E CB -0.196 29.597 29.700 0.154 0.000 0.746 338 E HN 0.731 nan 8.360 nan 0.000 0.452 339 E N 0.141 120.374 120.200 0.055 0.000 2.153 339 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 339 E C 2.013 178.618 176.600 0.009 0.000 0.988 339 E CA 0.842 57.250 56.400 0.014 0.000 0.811 339 E CB 0.052 29.738 29.700 -0.023 0.000 0.746 339 E HN 0.292 nan 8.360 nan 0.000 0.466 340 E N -0.460 119.745 120.200 0.009 0.000 2.265 340 E HA -0.115 4.234 4.350 -0.000 0.000 0.196 340 E C 1.254 177.841 176.600 -0.022 0.000 0.996 340 E CA 0.949 57.332 56.400 -0.028 0.000 0.832 340 E CB 0.126 29.798 29.700 -0.048 0.000 0.756 340 E HN 0.418 nan 8.360 nan 0.000 0.491 341 G N 0.895 109.704 108.800 0.015 0.000 2.132 341 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.228 341 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.228 341 G C 0.256 175.144 174.900 -0.020 0.000 1.000 341 G CA 0.295 45.404 45.100 0.014 0.000 0.693 341 G HN 0.176 nan 8.290 nan 0.000 0.515 342 V N 0.738 120.619 119.914 -0.056 0.000 2.732 342 V HA 0.431 4.551 4.120 -0.000 0.000 0.297 342 V C 0.530 176.465 176.094 -0.265 0.000 1.060 342 V CA -0.382 61.791 62.300 -0.213 0.000 1.038 342 V CB 1.642 33.248 31.823 -0.362 0.000 1.003 342 V HN 0.334 nan 8.190 nan 0.000 0.481 343 E N 3.060 123.089 120.200 -0.286 0.000 2.216 343 E HA 0.371 4.721 4.350 -0.000 0.000 0.279 343 E C -1.270 175.112 176.600 -0.362 0.000 0.997 343 E CA -0.222 56.083 56.400 -0.158 0.000 0.817 343 E CB 1.522 31.192 29.700 -0.051 0.000 1.096 343 E HN 0.408 nan 8.360 nan 0.000 0.393 344 F N 3.573 123.558 119.950 0.058 0.000 2.375 344 F HA 0.250 4.777 4.527 -0.000 0.000 0.361 344 F C 0.581 176.453 175.800 0.121 0.000 1.117 344 F CA -1.133 56.916 58.000 0.082 0.000 1.037 344 F CB 0.781 39.975 39.000 0.324 0.000 1.192 344 F HN 0.193 nan 8.300 nan 0.000 0.452 345 I N 1.182 121.820 120.570 0.113 0.000 2.352 345 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 345 I C -1.271 175.018 176.117 0.288 0.000 1.036 345 I CA -0.861 60.496 61.300 0.096 0.000 1.336 345 I CB 0.597 38.535 38.000 -0.102 0.000 1.407 345 I HN 0.734 nan 8.210 nan 0.000 0.497 346 W N 8.437 129.817 121.300 0.134 0.000 3.423 346 W HA 0.548 5.208 4.660 0.000 0.000 0.330 346 W C -1.836 174.740 176.519 0.094 0.000 1.102 346 W CA -0.827 56.641 57.345 0.203 0.000 1.261 346 W CB 1.532 31.197 29.460 0.340 0.000 1.283 346 W HN 0.799 nan 8.180 nan 0.000 0.447 347 Q N 4.216 124.222 119.800 0.343 0.000 2.479 347 Q HA 0.791 5.131 4.340 -0.000 0.000 0.276 347 Q C -0.438 175.631 176.000 0.115 0.000 0.989 347 Q CA -0.408 55.472 55.803 0.129 0.000 0.864 347 Q CB 1.049 29.837 28.738 0.083 0.000 1.444 347 Q HN 1.610 nan 8.270 nan 0.000 0.388 348 A N 0.245 123.088 122.820 0.039 0.000 2.439 348 A HA 0.210 4.530 4.320 -0.000 0.000 0.686 348 A C 0.914 178.536 177.584 0.063 0.000 0.142 348 A CA 0.551 52.613 52.037 0.043 0.000 0.040 348 A CB -1.373 17.667 19.000 0.067 0.000 3.973 348 A HN 2.162 nan 8.150 nan 0.000 0.548 349 A N 2.918 125.763 122.820 0.041 0.000 1.898 349 A HA 0.304 4.624 4.320 -0.000 0.000 0.216 349 A C -0.821 176.821 177.584 0.098 0.000 1.181 349 A CA 1.923 53.994 52.037 0.057 0.000 0.620 349 A CB -1.101 17.918 19.000 0.032 0.000 0.819 349 A HN 0.761 nan 8.150 nan 0.000 0.442 350 P HA 0.157 nan 4.420 nan 0.000 0.271 350 P C -0.584 176.815 177.300 0.166 0.000 1.218 350 P CA -0.173 62.996 63.100 0.115 0.000 0.780 350 P CB 0.258 32.010 31.700 0.087 0.000 0.901 351 E N 1.210 121.525 120.200 0.191 0.000 2.905 351 E HA 0.006 4.356 4.350 -0.000 0.000 0.240 351 E C 0.787 177.567 176.600 0.299 0.000 0.990 351 E CA 0.197 56.749 56.400 0.253 0.000 0.954 351 E CB -0.145 29.726 29.700 0.285 0.000 0.908 351 E HN 0.471 nan 8.360 nan 0.000 0.532 352 G N 4.330 113.243 108.800 0.187 0.000 2.389 352 G HA2 0.265 4.225 3.960 -0.000 0.000 0.287 352 G HA3 0.265 4.225 3.960 -0.000 0.000 0.287 352 G C -0.398 174.537 174.900 0.058 0.000 1.126 352 G CA -0.423 44.710 45.100 0.055 0.000 1.073 352 G HN 0.424 nan 8.290 nan 0.000 0.429 353 F N 1.417 121.370 119.950 0.005 0.000 2.469 353 F HA 0.686 5.213 4.527 -0.000 0.000 0.332 353 F C 0.219 176.012 175.800 -0.012 0.000 1.103 353 F CA -1.717 56.288 58.000 0.008 0.000 0.979 353 F CB 1.643 40.659 39.000 0.026 0.000 1.137 353 F HN 0.264 nan 8.300 nan 0.000 0.463 354 T N 2.342 116.920 114.554 0.041 0.000 2.737 354 T HA 0.406 4.756 4.350 -0.000 0.000 0.296 354 T C 1.011 175.797 174.700 0.144 0.000 0.922 354 T CA 0.151 62.239 62.100 -0.022 0.000 1.079 354 T CB 0.512 69.396 68.868 0.026 0.000 0.892 354 T HN 0.950 nan 8.240 nan 0.000 0.514 355 G N 3.870 112.746 108.800 0.126 0.000 2.408 355 G HA2 0.140 4.100 3.960 -0.000 0.000 0.213 355 G HA3 0.140 4.100 3.960 -0.000 0.000 0.213 355 G C 0.367 175.420 174.900 0.255 0.000 1.177 355 G CA 0.323 45.641 45.100 0.363 0.000 0.802 355 G HN 0.790 nan 8.290 nan 0.000 0.533 356 D N -1.816 118.723 120.400 0.231 0.000 2.623 356 D HA 0.337 4.977 4.640 -0.000 0.000 0.241 356 D C -1.566 174.792 176.300 0.097 0.000 1.241 356 D CA -0.311 53.764 54.000 0.126 0.000 0.788 356 D CB 1.642 42.479 40.800 0.062 0.000 1.413 356 D HN -0.089 nan 8.370 nan 0.000 0.429 357 T N 0.954 115.542 114.554 0.056 0.000 2.823 357 T HA 0.462 4.812 4.350 -0.000 0.000 0.279 357 T C -0.622 174.095 174.700 0.028 0.000 0.998 357 T CA -0.527 61.597 62.100 0.040 0.000 0.994 357 T CB 1.401 70.285 68.868 0.027 0.000 0.960 357 T HN 0.288 nan 8.240 nan 0.000 0.448 358 V N 4.741 124.669 119.914 0.023 0.000 2.513 358 V HA 0.885 5.005 4.120 -0.000 0.000 0.299 358 V C -0.581 175.519 176.094 0.009 0.000 1.035 358 V CA -0.559 61.747 62.300 0.011 0.000 0.889 358 V CB 1.475 33.301 31.823 0.006 0.000 0.988 358 V HN 0.676 nan 8.190 nan 0.000 0.440 359 V N 5.677 125.594 119.914 0.006 0.000 2.588 359 V HA 0.919 5.039 4.120 -0.000 0.000 0.304 359 V C -0.515 175.580 176.094 0.002 0.000 1.042 359 V CA 0.660 62.964 62.300 0.006 0.000 0.877 359 V CB 1.957 33.784 31.823 0.007 0.000 0.996 359 V HN 1.351 nan 8.190 nan 0.000 0.425 360 T N 3.492 118.048 114.554 0.002 0.000 2.933 360 T HA 0.640 4.990 4.350 -0.000 0.000 0.305 360 T C 0.652 175.353 174.700 0.001 0.000 1.092 360 T CA 0.677 62.777 62.100 -0.000 0.000 1.008 360 T CB 1.109 69.976 68.868 -0.003 0.000 1.102 360 T HN 2.584 nan 8.240 nan 0.000 0.469 361 G N 1.713 110.514 108.800 0.001 0.000 2.153 361 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.252 361 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.252 361 G C 0.720 175.622 174.900 0.004 0.000 0.994 361 G CA 0.259 45.360 45.100 0.002 0.000 0.698 361 G HN 1.919 nan 8.290 nan 0.000 0.521 362 V N -2.101 117.816 119.914 0.005 0.000 3.444 362 V HA -0.254 3.866 4.120 -0.000 0.000 0.197 362 V C 0.916 177.014 176.094 0.008 0.000 0.437 362 V CA 2.590 64.894 62.300 0.007 0.000 1.061 362 V CB -1.334 30.494 31.823 0.007 0.000 1.198 362 V HN 0.998 nan 8.190 nan 0.000 1.198 363 R N -0.544 119.961 120.500 0.007 0.000 2.725 363 R HA 0.773 5.113 4.340 -0.000 0.000 0.277 363 R C -0.020 176.285 176.300 0.008 0.000 0.987 363 R CA 0.039 56.143 56.100 0.008 0.000 0.901 363 R CB 1.901 32.206 30.300 0.008 0.000 1.207 363 R HN 0.398 nan 8.270 nan 0.000 0.463 364 A N 1.872 124.697 122.820 0.009 0.000 2.451 364 A HA 0.154 4.474 4.320 -0.000 0.000 0.266 364 A C 0.911 178.503 177.584 0.013 0.000 1.119 364 A CA -0.289 51.754 52.037 0.010 0.000 0.786 364 A CB 0.611 19.616 19.000 0.009 0.000 1.061 364 A HN 0.644 nan 8.150 nan 0.000 0.503 365 V N 3.348 123.269 119.914 0.012 0.000 2.795 365 V HA 0.349 4.469 4.120 -0.000 0.000 0.243 365 V C 0.795 176.898 176.094 0.015 0.000 1.069 365 V CA 1.133 63.439 62.300 0.010 0.000 1.089 365 V CB -0.360 31.464 31.823 0.001 0.000 0.756 365 V HN 0.910 nan 8.190 nan 0.000 0.471 366 R N -0.582 119.929 120.500 0.018 0.000 2.728 366 R HA 0.523 4.863 4.340 -0.000 0.000 0.274 366 R C -1.948 174.372 176.300 0.034 0.000 1.030 366 R CA -0.607 55.506 56.100 0.022 0.000 0.876 366 R CB 1.752 32.056 30.300 0.005 0.000 1.259 366 R HN 0.195 nan 8.270 nan 0.000 0.468 367 I N 1.344 121.940 120.570 0.044 0.000 2.582 367 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 367 I C -1.309 174.848 176.117 0.066 0.000 1.066 367 I CA -0.496 60.834 61.300 0.051 0.000 1.053 367 I CB 1.806 39.824 38.000 0.028 0.000 1.241 367 I HN 0.726 nan 8.210 nan 0.000 0.421 368 H N 7.060 126.118 119.070 -0.020 0.000 2.489 368 H HA 0.721 5.277 4.556 -0.000 0.000 0.322 368 H C -1.677 173.597 175.328 -0.090 0.000 1.091 368 H CA -0.142 55.882 56.048 -0.040 0.000 1.291 368 H CB 1.285 31.025 29.762 -0.036 0.000 1.436 368 H HN 0.548 nan 8.280 nan 0.000 0.480 369 L N 3.722 124.489 121.223 -0.760 0.000 2.309 369 L HA 0.674 5.014 4.340 -0.000 0.000 0.261 369 L C 0.425 176.636 176.870 -1.099 0.000 1.021 369 L CA -0.485 53.855 54.840 -0.834 0.000 0.823 369 L CB 2.513 44.296 42.059 -0.459 0.000 1.366 369 L HN 0.884 nan 8.230 nan 0.000 0.423 370 G N -0.270 107.593 108.800 -1.562 0.000 2.481 370 G HA2 0.639 4.599 3.960 -0.000 0.000 0.315 370 G HA3 0.639 4.599 3.960 -0.000 0.000 0.315 370 G C -1.021 173.590 174.900 -0.482 0.000 1.231 370 G CA -0.633 43.868 45.100 -0.998 0.000 0.968 370 G HN 0.461 nan 8.290 nan 0.000 0.482 371 V N -0.722 119.208 119.914 0.027 0.000 2.785 371 V HA 0.850 4.970 4.120 -0.000 0.000 0.300 371 V C 0.540 176.796 176.094 0.270 0.000 1.062 371 V CA -0.626 61.736 62.300 0.103 0.000 1.029 371 V CB 0.880 32.757 31.823 0.089 0.000 1.024 371 V HN 1.235 nan 8.190 nan 0.000 0.477 372 A N 2.139 125.097 122.820 0.230 0.000 2.469 372 A HA 0.833 5.153 4.320 -0.000 0.000 0.299 372 A C -0.963 176.699 177.584 0.131 0.000 1.098 372 A CA -0.481 51.681 52.037 0.208 0.000 0.737 372 A CB 1.905 21.046 19.000 0.234 0.000 1.312 372 A HN 1.010 nan 8.150 nan 0.000 0.414 373 D N 0.026 120.483 120.400 0.095 0.000 2.661 373 D HA 0.595 5.235 4.640 -0.000 0.000 0.228 373 D C -0.845 175.485 176.300 0.051 0.000 1.210 373 D CA -0.015 54.026 54.000 0.068 0.000 0.826 373 D CB 2.354 43.189 40.800 0.058 0.000 1.542 373 D HN 0.803 nan 8.370 nan 0.000 0.447 374 A N 1.608 124.451 122.820 0.038 0.000 2.306 374 A HA 0.622 4.942 4.320 -0.000 0.000 0.314 374 A C 0.247 177.843 177.584 0.021 0.000 1.164 374 A CA -0.277 51.777 52.037 0.029 0.000 0.822 374 A CB 1.222 20.235 19.000 0.023 0.000 1.130 374 A HN 0.487 nan 8.150 nan 0.000 0.496 375 T N 0.935 115.500 114.554 0.018 0.000 2.880 375 T HA 0.466 4.816 4.350 -0.000 0.000 0.279 375 T C 1.768 176.475 174.700 0.010 0.000 0.990 375 T CA 0.417 62.526 62.100 0.014 0.000 0.938 375 T CB 1.163 70.039 68.868 0.013 0.000 1.206 375 T HN 0.843 nan 8.240 nan 0.000 0.573 376 G N 0.068 108.873 108.800 0.008 0.000 2.432 376 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 376 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 376 G C 1.444 176.347 174.900 0.006 0.000 1.135 376 G CA 0.741 45.845 45.100 0.006 0.000 0.767 376 G HN 0.627 nan 8.290 nan 0.000 0.550 377 R N 0.202 120.706 120.500 0.008 0.000 2.193 377 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 377 R C 1.765 178.072 176.300 0.011 0.000 1.110 377 R CA 1.618 57.724 56.100 0.008 0.000 0.988 377 R CB -0.205 30.100 30.300 0.008 0.000 0.871 377 R HN 0.408 nan 8.270 nan 0.000 0.458 378 Q N -0.905 118.902 119.800 0.012 0.000 2.374 378 Q HA -0.158 4.182 4.340 -0.000 0.000 0.218 378 Q C -1.115 174.897 176.000 0.019 0.000 0.691 378 Q CA 1.351 57.162 55.803 0.015 0.000 1.340 378 Q CB -1.800 26.945 28.738 0.013 0.000 1.498 378 Q HN 0.360 nan 8.270 nan 0.000 0.739 379 T N 2.700 117.264 114.554 0.017 0.000 2.869 379 T HA 0.420 4.770 4.350 -0.000 0.000 0.295 379 T C -2.444 172.267 174.700 0.018 0.000 0.987 379 T CA -0.811 61.299 62.100 0.018 0.000 1.109 379 T CB 1.177 70.052 68.868 0.012 0.000 0.932 379 T HN 0.107 nan 8.240 nan 0.000 0.518 380 P HA 0.117 nan 4.420 nan 0.000 0.268 380 P C -0.734 176.570 177.300 0.006 0.000 1.204 380 P CA -0.005 63.109 63.100 0.023 0.000 0.768 380 P CB 0.409 32.130 31.700 0.035 0.000 0.842 381 Q N 2.234 122.043 119.800 0.015 0.000 2.365 381 Q HA 0.552 4.892 4.340 -0.000 0.000 0.269 381 Q C -1.463 174.541 176.000 0.006 0.000 1.061 381 Q CA -0.973 54.830 55.803 -0.000 0.000 0.816 381 Q CB 1.629 30.376 28.738 0.015 0.000 1.325 381 Q HN 0.233 nan 8.270 nan 0.000 0.446 382 V N 1.986 121.871 119.914 -0.049 0.000 2.513 382 V HA 0.561 4.681 4.120 -0.000 0.000 0.299 382 V C -0.325 175.809 176.094 0.067 0.000 1.035 382 V CA -0.998 61.278 62.300 -0.040 0.000 0.889 382 V CB 1.506 33.040 31.823 -0.482 0.000 0.988 382 V HN 0.767 nan 8.190 nan 0.000 0.440 383 I N 2.985 123.671 120.570 0.194 0.000 2.354 383 I HA 0.475 4.645 4.170 -0.000 0.000 0.286 383 I C 0.855 177.097 176.117 0.208 0.000 1.007 383 I CA -0.163 61.225 61.300 0.147 0.000 1.167 383 I CB 1.579 39.652 38.000 0.121 0.000 1.320 383 I HN 0.827 nan 8.210 nan 0.000 0.458 384 E N 4.726 125.031 120.200 0.175 0.000 2.106 384 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 384 E C 1.980 178.677 176.600 0.161 0.000 0.984 384 E CA 1.457 57.980 56.400 0.204 0.000 0.806 384 E CB -0.004 29.783 29.700 0.145 0.000 0.750 384 E HN 0.888 nan 8.360 nan 0.000 0.458 385 G N 0.136 109.004 108.800 0.114 0.000 2.442 385 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 385 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 385 G C 0.856 175.810 174.900 0.089 0.000 1.141 385 G CA 0.817 45.970 45.100 0.088 0.000 0.763 385 G HN 0.291 nan 8.290 nan 0.000 0.554 386 S N 0.015 115.774 115.700 0.098 0.000 2.438 386 S HA 0.474 4.944 4.470 -0.000 0.000 0.293 386 S C -0.452 174.190 174.600 0.070 0.000 1.141 386 S CA -0.683 57.567 58.200 0.083 0.000 1.080 386 S CB 1.275 64.524 63.200 0.080 0.000 0.978 386 S HN 0.439 nan 8.310 nan 0.000 0.479 387 E N 4.073 124.304 120.200 0.051 0.000 2.336 387 E HA 0.554 4.904 4.350 -0.000 0.000 0.267 387 E C -1.822 174.781 176.600 0.004 0.000 0.906 387 E CA -0.812 55.581 56.400 -0.012 0.000 0.781 387 E CB 1.350 31.119 29.700 0.115 0.000 1.261 387 E HN 0.568 nan 8.360 nan 0.000 0.436 388 F N 1.339 121.155 119.950 -0.223 0.000 2.556 388 F HA 0.345 4.871 4.527 -0.000 0.000 0.314 388 F C -0.772 174.945 175.800 -0.139 0.000 1.106 388 F CA -0.462 57.448 58.000 -0.150 0.000 0.911 388 F CB 2.279 41.185 39.000 -0.156 0.000 1.190 388 F HN 0.349 nan 8.300 nan 0.000 0.448 389 T N 6.224 120.391 114.554 -0.645 0.000 2.788 389 T HA 0.625 4.975 4.350 -0.000 0.000 0.296 389 T C -1.387 173.186 174.700 -0.211 0.000 1.009 389 T CA -0.497 61.446 62.100 -0.263 0.000 0.949 389 T CB 0.122 68.835 68.868 -0.258 0.000 0.946 389 T HN 0.530 nan 8.240 nan 0.000 0.453 390 V N 3.937 123.922 119.914 0.118 0.000 2.417 390 V HA 0.577 4.697 4.120 -0.000 0.000 0.291 390 V C 0.168 176.270 176.094 0.015 0.000 1.024 390 V CA -1.163 61.251 62.300 0.190 0.000 0.861 390 V CB 1.479 33.406 31.823 0.174 0.000 0.985 390 V HN 0.750 nan 8.190 nan 0.000 0.436 391 Q N 2.577 122.343 119.800 -0.057 0.000 2.313 391 Q HA 0.681 5.021 4.340 -0.000 0.000 0.266 391 Q C -0.066 175.893 176.000 -0.068 0.000 0.989 391 Q CA 0.273 56.038 55.803 -0.064 0.000 0.890 391 Q CB 1.773 30.466 28.738 -0.075 0.000 1.200 391 Q HN 1.134 nan 8.270 nan 0.000 0.396 392 A N 2.717 125.574 122.820 0.062 0.000 2.540 392 A HA 0.343 4.663 4.320 -0.000 0.000 0.297 392 A C -0.509 177.142 177.584 0.113 0.000 1.056 392 A CA -0.641 51.539 52.037 0.239 0.000 0.700 392 A CB 1.081 20.281 19.000 0.333 0.000 1.280 392 A HN 0.577 nan 8.150 nan 0.000 0.398 393 D N 0.406 120.863 120.400 0.096 0.000 2.213 393 D HA 0.100 4.740 4.640 -0.000 0.000 0.205 393 D C 0.428 176.729 176.300 0.001 0.000 0.961 393 D CA 1.109 55.130 54.000 0.034 0.000 0.853 393 D CB 0.409 41.222 40.800 0.022 0.000 0.967 393 D HN 0.427 nan 8.370 nan 0.000 0.496 394 L N 0.821 122.023 121.223 -0.035 0.000 2.410 394 L HA 0.461 4.801 4.340 -0.000 0.000 0.270 394 L C -1.540 175.260 176.870 -0.116 0.000 0.983 394 L CA -0.768 54.024 54.840 -0.080 0.000 0.822 394 L CB 2.039 44.035 42.059 -0.105 0.000 1.285 394 L HN -0.257 nan 8.230 nan 0.000 0.409 395 V N 2.308 122.162 119.914 -0.101 0.000 2.604 395 V HA 0.638 4.758 4.120 -0.000 0.000 0.305 395 V C -0.628 175.381 176.094 -0.141 0.000 1.043 395 V CA -0.645 61.587 62.300 -0.114 0.000 0.888 395 V CB 1.879 33.664 31.823 -0.063 0.000 0.995 395 V HN 0.596 nan 8.190 nan 0.000 0.429 396 I N 3.106 123.568 120.570 -0.181 0.000 2.466 396 I HA 0.499 4.669 4.170 -0.000 0.000 0.289 396 I C -0.225 175.811 176.117 -0.135 0.000 1.026 396 I CA -0.589 60.600 61.300 -0.186 0.000 1.078 396 I CB 2.038 39.860 38.000 -0.295 0.000 1.249 396 I HN 0.791 nan 8.210 nan 0.000 0.429 397 K N 5.118 125.463 120.400 -0.091 0.000 2.264 397 K HA 0.670 4.990 4.320 -0.000 0.000 0.277 397 K C 0.471 177.014 176.600 -0.095 0.000 1.067 397 K CA -0.286 55.949 56.287 -0.087 0.000 0.900 397 K CB 1.142 33.600 32.500 -0.070 0.000 1.124 397 K HN 0.760 nan 8.250 nan 0.000 0.469 398 A N 5.608 128.375 122.820 -0.089 0.000 2.251 398 A HA 0.068 4.388 4.320 -0.000 0.000 0.209 398 A C 1.531 179.071 177.584 -0.073 0.000 1.187 398 A CA 0.076 52.076 52.037 -0.062 0.000 0.823 398 A CB -0.324 18.656 19.000 -0.034 0.000 0.846 398 A HN 0.875 nan 8.150 nan 0.000 0.486 399 L N -1.011 120.153 121.223 -0.098 0.000 2.081 399 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 399 L C 1.493 178.314 176.870 -0.081 0.000 1.080 399 L CA 1.562 56.364 54.840 -0.065 0.000 0.754 399 L CB -0.783 41.243 42.059 -0.056 0.000 0.893 399 L HN 0.619 nan 8.230 nan 0.000 0.433 400 G N -2.293 106.360 108.800 -0.245 0.000 2.350 400 G HA2 0.183 4.142 3.960 -0.000 0.000 0.276 400 G HA3 0.183 4.142 3.960 -0.000 0.000 0.276 400 G C -1.665 172.899 174.900 -0.559 0.000 1.313 400 G CA -0.832 44.156 45.100 -0.186 0.000 0.903 400 G HN -0.106 nan 8.290 nan 0.000 0.490 401 F N 0.125 120.087 119.950 0.020 0.000 2.620 401 F HA 0.840 5.367 4.527 -0.000 0.000 0.320 401 F C 0.212 175.988 175.800 -0.040 0.000 1.069 401 F CA -0.536 57.460 58.000 -0.006 0.000 0.953 401 F CB 2.717 41.709 39.000 -0.012 0.000 1.322 401 F HN 0.577 nan 8.300 nan 0.000 0.479 402 E N 0.438 120.692 120.200 0.089 0.000 2.388 402 E HA 0.305 4.655 4.350 -0.000 0.000 0.280 402 E C -2.917 173.555 176.600 -0.212 0.000 1.019 402 E CA -2.131 54.254 56.400 -0.025 0.000 0.806 402 E CB 2.851 32.554 29.700 0.005 0.000 1.246 402 E HN 0.091 nan 8.360 nan 0.000 0.443 403 P HA 0.102 nan 4.420 nan 0.000 0.282 403 P C -0.268 176.984 177.300 -0.079 0.000 1.262 403 P CA 0.432 63.287 63.100 -0.408 0.000 0.773 403 P CB 0.805 32.370 31.700 -0.226 0.000 0.879 404 E N 1.984 122.239 120.200 0.092 0.000 2.653 404 E HA -0.011 4.339 4.350 -0.000 0.000 0.218 404 E C -0.138 176.619 176.600 0.260 0.000 0.911 404 E CA -0.036 56.467 56.400 0.173 0.000 1.355 404 E CB -0.072 29.700 29.700 0.120 0.000 1.314 404 E HN 0.263 nan 8.360 nan 0.000 0.686 405 D N 2.629 123.302 120.400 0.455 0.000 2.389 405 D HA -0.050 4.590 4.640 -0.000 0.000 0.263 405 D C 1.620 178.026 176.300 0.176 0.000 1.255 405 D CA 0.133 54.285 54.000 0.253 0.000 0.914 405 D CB 0.713 41.545 40.800 0.053 0.000 1.116 405 D HN 0.402 nan 8.370 nan 0.000 0.502 406 L N 3.784 125.080 121.223 0.122 0.000 2.017 406 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 406 L C -0.701 176.239 176.870 0.118 0.000 1.073 406 L CA 0.444 55.353 54.840 0.114 0.000 0.745 406 L CB -2.739 39.369 42.059 0.082 0.000 0.894 406 L HN 0.310 nan 8.230 nan 0.000 0.432 407 P HA -0.206 nan 4.420 nan 0.000 0.219 407 P C 1.256 178.630 177.300 0.124 0.000 1.146 407 P CA 2.146 65.294 63.100 0.079 0.000 0.808 407 P CB -0.241 31.461 31.700 0.003 0.000 0.779 408 N N 0.384 119.123 118.700 0.065 0.000 2.142 408 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 408 N C 1.950 177.529 175.510 0.115 0.000 1.023 408 N CA 1.511 54.591 53.050 0.049 0.000 0.852 408 N CB -0.566 37.890 38.487 -0.051 0.000 0.998 408 N HN -0.034 nan 8.380 nan 0.000 0.424 409 A N -0.114 122.798 122.820 0.154 0.000 1.933 409 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 409 A C 2.053 179.702 177.584 0.109 0.000 1.175 409 A CA 1.063 53.181 52.037 0.135 0.000 0.628 409 A CB -1.158 17.928 19.000 0.142 0.000 0.814 409 A HN 0.561 nan 8.150 nan 0.000 0.444 410 F N 1.410 121.376 119.950 0.026 0.000 2.216 410 F HA -0.170 4.356 4.527 -0.000 0.000 0.300 410 F C 2.015 177.818 175.800 0.005 0.000 1.085 410 F CA 1.878 59.886 58.000 0.013 0.000 1.326 410 F CB -0.084 38.919 39.000 0.006 0.000 1.027 410 F HN 0.435 nan 8.300 nan 0.000 0.497 411 D N 0.481 120.931 120.400 0.083 0.000 2.149 411 D HA -0.239 4.401 4.640 -0.000 0.000 0.198 411 D C 1.669 177.903 176.300 -0.110 0.000 0.990 411 D CA 1.660 55.663 54.000 0.006 0.000 0.839 411 D CB -0.256 40.570 40.800 0.043 0.000 0.948 411 D HN 0.546 nan 8.370 nan 0.000 0.460 412 E N 0.130 120.274 120.200 -0.093 0.000 2.274 412 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 412 E C -1.590 174.921 176.600 -0.149 0.000 0.996 412 E CA -0.194 56.154 56.400 -0.088 0.000 0.840 412 E CB -0.474 29.206 29.700 -0.032 0.000 0.772 412 E HN 0.411 nan 8.360 nan 0.000 0.491 413 P HA -0.085 nan 4.420 nan 0.000 0.267 413 P C -0.124 177.066 177.300 -0.184 0.000 1.201 413 P CA 0.626 63.578 63.100 -0.246 0.000 0.775 413 P CB 0.580 32.063 31.700 -0.362 0.000 0.854 414 E N 1.465 121.585 120.200 -0.133 0.000 2.427 414 E HA 0.005 4.355 4.350 -0.000 0.000 0.196 414 E C 0.607 177.153 176.600 -0.089 0.000 1.028 414 E CA -0.038 56.297 56.400 -0.108 0.000 0.864 414 E CB -0.332 29.320 29.700 -0.080 0.000 0.813 414 E HN 0.349 nan 8.360 nan 0.000 0.514 415 L N 1.938 123.108 121.223 -0.089 0.000 2.742 415 L HA -0.153 4.187 4.340 -0.000 0.000 0.297 415 L C -0.260 176.578 176.870 -0.053 0.000 1.238 415 L CA 0.768 55.563 54.840 -0.075 0.000 0.895 415 L CB 0.448 42.462 42.059 -0.074 0.000 1.166 415 L HN 0.039 nan 8.230 nan 0.000 0.494 416 K N 3.957 124.330 120.400 -0.045 0.000 2.270 416 K HA 0.382 4.702 4.320 -0.000 0.000 0.276 416 K C -0.537 176.059 176.600 -0.006 0.000 1.023 416 K CA -0.585 55.686 56.287 -0.026 0.000 0.955 416 K CB 1.692 34.178 32.500 -0.024 0.000 0.975 416 K HN 0.493 nan 8.250 nan 0.000 0.471 417 V N 1.599 121.518 119.914 0.008 0.000 2.715 417 V HA 0.218 4.338 4.120 -0.000 0.000 0.310 417 V C 0.339 176.457 176.094 0.040 0.000 1.054 417 V CA -0.619 61.701 62.300 0.033 0.000 0.928 417 V CB 2.086 33.931 31.823 0.038 0.000 1.007 417 V HN 0.935 nan 8.190 nan 0.000 0.437 418 T N 2.591 117.194 114.554 0.082 0.000 2.810 418 T HA 0.294 4.644 4.350 -0.000 0.000 0.277 418 T C 0.838 175.553 174.700 0.024 0.000 0.973 418 T CA -0.541 61.613 62.100 0.089 0.000 0.949 418 T CB 0.707 69.725 68.868 0.249 0.000 1.075 418 T HN 0.736 nan 8.240 nan 0.000 0.537 419 R N 0.049 120.476 120.500 -0.121 0.000 2.535 419 R HA 0.215 4.555 4.340 -0.000 0.000 0.233 419 R C 0.273 176.367 176.300 -0.344 0.000 1.202 419 R CA 0.306 56.266 56.100 -0.233 0.000 1.205 419 R CB -1.109 29.003 30.300 -0.313 0.000 1.153 419 R HN 0.706 nan 8.270 nan 0.000 0.512 420 W N -0.529 120.776 121.300 0.007 0.000 3.008 420 W HA 0.417 5.077 4.660 -0.000 0.000 0.355 420 W C 0.762 177.288 176.519 0.011 0.000 1.095 420 W CA -0.205 57.145 57.345 0.009 0.000 1.738 420 W CB 0.678 30.142 29.460 0.008 0.000 1.091 420 W HN 0.345 nan 8.180 nan 0.000 0.574 421 G N 1.860 110.761 108.800 0.167 0.000 2.221 421 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.265 421 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.265 421 G C 0.044 175.021 174.900 0.128 0.000 1.041 421 G CA 0.815 45.985 45.100 0.116 0.000 0.807 421 G HN 0.246 nan 8.290 nan 0.000 0.502 422 T N -0.641 114.005 114.554 0.153 0.000 2.916 422 T HA 0.659 5.009 4.350 -0.000 0.000 0.292 422 T C 0.743 175.497 174.700 0.091 0.000 1.064 422 T CA -0.551 61.616 62.100 0.113 0.000 1.011 422 T CB 1.036 69.969 68.868 0.108 0.000 1.152 422 T HN 1.133 nan 8.240 nan 0.000 0.510 423 L N 2.278 123.538 121.223 0.061 0.000 2.499 423 L HA 0.406 4.746 4.340 -0.000 0.000 0.273 423 L C -0.406 176.485 176.870 0.036 0.000 1.195 423 L CA -0.865 53.998 54.840 0.038 0.000 0.882 423 L CB -0.394 41.677 42.059 0.021 0.000 1.133 423 L HN 0.376 nan 8.230 nan 0.000 0.483 424 L N 5.110 126.349 121.223 0.026 0.000 2.397 424 L HA 0.540 4.880 4.340 -0.000 0.000 0.271 424 L C 0.308 177.171 176.870 -0.011 0.000 1.148 424 L CA -0.022 54.833 54.840 0.024 0.000 0.825 424 L CB 1.406 43.478 42.059 0.021 0.000 1.117 424 L HN 0.669 nan 8.230 nan 0.000 0.456 425 V N -0.595 119.314 119.914 -0.009 0.000 3.087 425 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 425 V C -0.691 175.377 176.094 -0.044 0.000 1.187 425 V CA -1.366 60.910 62.300 -0.040 0.000 0.999 425 V CB 2.052 33.865 31.823 -0.017 0.000 1.049 425 V HN 0.685 nan 8.190 nan 0.000 0.431 426 D N 0.593 120.933 120.400 -0.099 0.000 2.389 426 D HA 0.233 4.873 4.640 -0.000 0.000 0.247 426 D C 1.222 177.418 176.300 -0.173 0.000 1.128 426 D CA 0.571 54.459 54.000 -0.186 0.000 0.884 426 D CB 1.141 41.797 40.800 -0.240 0.000 1.194 426 D HN 0.873 nan 8.370 nan 0.000 0.441 427 H N 2.612 121.681 119.070 -0.002 0.000 2.353 427 H HA -0.012 4.544 4.556 -0.000 0.000 0.300 427 H C 1.782 177.116 175.328 0.010 0.000 1.090 427 H CA 1.201 57.246 56.048 -0.006 0.000 1.327 427 H CB -0.112 29.638 29.762 -0.020 0.000 1.383 427 H HN 0.320 nan 8.280 nan 0.000 0.508 428 R N 0.090 120.488 120.500 -0.169 0.000 2.057 428 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 428 R C 2.441 178.754 176.300 0.023 0.000 1.136 428 R CA 1.964 58.078 56.100 0.023 0.000 0.952 428 R CB -0.308 29.994 30.300 0.003 0.000 0.848 428 R HN 0.636 nan 8.270 nan 0.000 0.430 429 T N -0.668 113.878 114.554 -0.014 0.000 2.978 429 T HA -0.008 4.342 4.350 -0.000 0.000 0.262 429 T C 0.796 175.595 174.700 0.165 0.000 1.063 429 T CA 0.742 62.893 62.100 0.085 0.000 1.140 429 T CB -0.147 68.755 68.868 0.057 0.000 0.886 429 T HN 0.417 nan 8.240 nan 0.000 0.470 430 K N 0.377 120.823 120.400 0.077 0.000 3.160 430 K HA -0.205 4.115 4.320 -0.000 0.000 0.280 430 K C -0.233 176.413 176.600 0.078 0.000 1.154 430 K CA 0.597 56.944 56.287 0.099 0.000 0.822 430 K CB -2.796 29.785 32.500 0.135 0.000 1.239 430 K HN 0.433 nan 8.250 nan 0.000 0.489 431 M N 1.338 120.867 119.600 -0.119 0.000 2.274 431 M HA 0.172 4.652 4.480 -0.000 0.000 0.344 431 M C 0.615 176.715 176.300 -0.334 0.000 1.161 431 M CA -0.117 54.874 55.300 -0.516 0.000 1.126 431 M CB 1.526 33.801 32.600 -0.542 0.000 1.522 431 M HN 0.225 nan 8.290 nan 0.000 0.461 432 T N 0.658 114.980 114.554 -0.385 0.000 2.810 432 T HA 0.073 4.423 4.350 -0.000 0.000 0.277 432 T C 1.176 175.744 174.700 -0.219 0.000 0.973 432 T CA -0.584 61.380 62.100 -0.227 0.000 0.949 432 T CB 0.656 69.399 68.868 -0.208 0.000 1.075 432 T HN 0.732 nan 8.240 nan 0.000 0.537 433 N N 0.357 118.968 118.700 -0.147 0.000 2.149 433 N HA -0.076 4.664 4.740 -0.000 0.000 0.188 433 N C 0.406 175.826 175.510 -0.151 0.000 1.019 433 N CA 1.424 54.400 53.050 -0.124 0.000 0.857 433 N CB -0.414 38.021 38.487 -0.085 0.000 0.997 433 N HN 0.516 nan 8.380 nan 0.000 0.426 434 M N 0.950 120.445 119.600 -0.175 0.000 2.185 434 M HA 0.047 4.527 4.480 -0.000 0.000 0.357 434 M C 0.775 176.892 176.300 -0.306 0.000 1.260 434 M CA -0.326 54.859 55.300 -0.191 0.000 1.124 434 M CB 1.239 33.743 32.600 -0.160 0.000 1.600 434 M HN 0.138 nan 8.290 nan 0.000 0.467 435 D N 1.713 121.930 120.400 -0.306 0.000 2.144 435 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 435 D C 1.663 177.517 176.300 -0.745 0.000 0.984 435 D CA 1.437 55.165 54.000 -0.454 0.000 0.834 435 D CB -0.393 40.242 40.800 -0.275 0.000 0.955 435 D HN 0.773 nan 8.370 nan 0.000 0.465 436 G N -0.018 108.421 108.800 -0.600 0.000 2.484 436 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.218 436 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.218 436 G C 0.539 175.317 174.900 -0.203 0.000 1.130 436 G CA 0.724 45.538 45.100 -0.476 0.000 0.784 436 G HN 0.389 nan 8.290 nan 0.000 0.543 437 V N -0.611 119.123 119.914 -0.300 0.000 2.581 437 V HA 0.837 4.957 4.120 -0.000 0.000 0.303 437 V C -1.394 174.496 176.094 -0.340 0.000 1.041 437 V CA -1.366 60.854 62.300 -0.132 0.000 0.907 437 V CB 1.559 33.311 31.823 -0.120 0.000 0.994 437 V HN 0.011 nan 8.190 nan 0.000 0.442 438 F N 3.783 123.684 119.950 -0.081 0.000 2.611 438 F HA 0.972 5.498 4.527 -0.000 0.000 0.324 438 F C 0.378 176.159 175.800 -0.033 0.000 1.061 438 F CA -0.068 57.898 58.000 -0.057 0.000 0.954 438 F CB 2.245 41.217 39.000 -0.048 0.000 1.301 438 F HN 0.867 nan 8.300 nan 0.000 0.482 439 A N 0.623 123.545 122.820 0.170 0.000 2.572 439 A HA 0.990 5.310 4.320 -0.000 0.000 0.295 439 A C -1.670 175.971 177.584 0.094 0.000 1.072 439 A CA -0.233 51.864 52.037 0.101 0.000 0.691 439 A CB 1.624 20.655 19.000 0.051 0.000 1.291 439 A HN 1.504 nan 8.150 nan 0.000 0.404 440 A N -0.179 122.685 122.820 0.073 0.000 2.601 440 A HA 1.038 5.358 4.320 -0.000 0.000 0.291 440 A C 0.391 178.005 177.584 0.051 0.000 1.075 440 A CA 0.356 52.431 52.037 0.064 0.000 0.671 440 A CB 0.398 19.439 19.000 0.068 0.000 1.277 440 A HN 2.979 nan 8.150 nan 0.000 0.417 441 G N 0.301 109.132 108.800 0.052 0.000 2.545 441 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.216 441 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.216 441 G C 0.152 175.078 174.900 0.043 0.000 1.314 441 G CA 0.706 45.835 45.100 0.048 0.000 0.906 441 G HN 0.918 nan 8.290 nan 0.000 0.563 442 D N 0.190 120.608 120.400 0.031 0.000 2.182 442 D HA -0.090 4.550 4.640 -0.000 0.000 0.201 442 D C 2.629 178.937 176.300 0.014 0.000 0.986 442 D CA 1.886 55.901 54.000 0.025 0.000 0.847 442 D CB -0.270 40.532 40.800 0.004 0.000 0.942 442 D HN 0.703 nan 8.370 nan 0.000 0.467 443 I N -1.500 119.082 120.570 0.019 0.000 2.361 443 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 443 I C 2.097 178.224 176.117 0.017 0.000 1.133 443 I CA 0.874 62.188 61.300 0.024 0.000 1.413 443 I CB -1.058 36.970 38.000 0.046 0.000 1.073 443 I HN -0.170 nan 8.210 nan 0.000 0.424 444 V N 0.896 120.817 119.914 0.012 0.000 2.626 444 V HA -0.106 4.014 4.120 -0.000 0.000 0.252 444 V C 1.406 177.476 176.094 -0.041 0.000 1.067 444 V CA 1.289 63.588 62.300 -0.003 0.000 1.081 444 V CB -0.986 30.836 31.823 -0.003 0.000 0.686 444 V HN 0.803 nan 8.190 nan 0.000 0.468 445 R N -0.421 120.050 120.500 -0.048 0.000 2.532 445 R HA -0.169 4.171 4.340 -0.000 0.000 0.317 445 R C 0.415 176.610 176.300 -0.174 0.000 1.026 445 R CA 0.643 56.680 56.100 -0.105 0.000 0.846 445 R CB -1.413 28.806 30.300 -0.136 0.000 2.375 445 R HN 0.556 nan 8.270 nan 0.000 0.497 446 G N 0.448 109.158 108.800 -0.149 0.000 4.452 446 G HA2 0.413 4.373 3.960 -0.000 0.000 0.157 446 G HA3 0.413 4.373 3.960 -0.000 0.000 0.157 446 G C -0.413 174.331 174.900 -0.260 0.000 0.823 446 G CA 0.297 45.271 45.100 -0.210 0.000 0.808 446 G HN 1.065 nan 8.290 nan 0.000 0.443 447 A N -0.190 122.545 122.820 -0.141 0.000 2.572 447 A HA 0.808 5.128 4.320 -0.000 0.000 0.295 447 A C -0.479 177.297 177.584 0.319 0.000 1.072 447 A CA 0.222 52.201 52.037 -0.096 0.000 0.691 447 A CB 1.642 20.589 19.000 -0.088 0.000 1.291 447 A HN 1.063 nan 8.150 nan 0.000 0.404 448 S N 1.034 117.146 115.700 0.686 0.000 2.399 448 S HA 0.520 4.990 4.470 -0.000 0.000 0.198 448 S C -0.911 173.812 174.600 0.204 0.000 1.294 448 S CA -0.200 58.212 58.200 0.352 0.000 1.237 448 S CB -0.932 62.407 63.200 0.231 0.000 1.286 448 S HN 1.725 nan 8.310 nan 0.000 0.404 449 L N 1.038 122.340 121.223 0.132 0.000 2.424 449 L HA 0.691 5.031 4.340 -0.000 0.000 0.258 449 L C 0.891 177.682 176.870 -0.131 0.000 0.995 449 L CA -0.636 54.060 54.840 -0.241 0.000 0.821 449 L CB 1.541 42.996 42.059 -1.005 0.000 1.383 449 L HN 0.044 nan 8.230 nan 0.000 0.410 450 V N 2.821 122.639 119.914 -0.161 0.000 2.307 450 V HA -0.113 4.007 4.120 -0.000 0.000 0.245 450 V C 1.821 177.852 176.094 -0.105 0.000 1.045 450 V CA 2.487 64.710 62.300 -0.129 0.000 1.024 450 V CB 0.165 31.909 31.823 -0.132 0.000 0.651 450 V HN 0.762 nan 8.190 nan 0.000 0.449 451 V N -0.062 119.763 119.914 -0.148 0.000 2.515 451 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 451 V C 2.275 178.391 176.094 0.037 0.000 1.058 451 V CA 2.447 64.703 62.300 -0.073 0.000 1.064 451 V CB -0.626 31.142 31.823 -0.092 0.000 0.675 451 V HN 0.772 nan 8.190 nan 0.000 0.461 452 W N 0.236 121.546 121.300 0.017 0.000 2.388 452 W HA 0.050 4.710 4.660 -0.000 0.000 0.294 452 W C 2.736 179.258 176.519 0.005 0.000 1.212 452 W CA 1.324 58.679 57.345 0.018 0.000 1.271 452 W CB -1.477 27.993 29.460 0.016 0.000 1.126 452 W HN 0.426 nan 8.180 nan 0.000 0.535 453 A N 0.478 123.416 122.820 0.196 0.000 1.933 453 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 453 A C 2.025 179.644 177.584 0.059 0.000 1.175 453 A CA 1.527 53.621 52.037 0.096 0.000 0.628 453 A CB -0.857 18.151 19.000 0.014 0.000 0.814 453 A HN 0.134 nan 8.150 nan 0.000 0.444 454 I N -0.003 120.591 120.570 0.040 0.000 2.315 454 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 454 I C 2.336 178.510 176.117 0.096 0.000 1.117 454 I CA 1.816 63.151 61.300 0.057 0.000 1.404 454 I CB -0.776 37.278 38.000 0.089 0.000 1.071 454 I HN 0.494 nan 8.210 nan 0.000 0.419 455 R N 0.669 121.241 120.500 0.121 0.000 2.096 455 R HA -0.200 4.139 4.340 -0.000 0.000 0.235 455 R C 1.741 178.104 176.300 0.105 0.000 1.127 455 R CA 2.054 58.229 56.100 0.125 0.000 0.968 455 R CB -0.213 30.191 30.300 0.172 0.000 0.861 455 R HN 0.302 nan 8.270 nan 0.000 0.440 456 D N -0.289 120.175 120.400 0.107 0.000 2.097 456 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 456 D C 1.771 178.112 176.300 0.069 0.000 0.989 456 D CA 1.655 55.706 54.000 0.085 0.000 0.827 456 D CB -0.604 40.244 40.800 0.080 0.000 0.966 456 D HN 0.503 nan 8.370 nan 0.000 0.456 457 G N 0.544 109.382 108.800 0.062 0.000 2.422 457 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 457 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 457 G C 1.710 176.631 174.900 0.035 0.000 1.146 457 G CA 0.259 45.386 45.100 0.045 0.000 0.769 457 G HN 0.117 nan 8.290 nan 0.000 0.547 458 R N 1.321 121.854 120.500 0.054 0.000 2.080 458 R HA -0.114 4.226 4.340 -0.000 0.000 0.236 458 R C 2.492 178.811 176.300 0.032 0.000 1.137 458 R CA 1.946 58.074 56.100 0.046 0.000 0.943 458 R CB -0.729 29.608 30.300 0.061 0.000 0.846 458 R HN 0.629 nan 8.270 nan 0.000 0.431 459 D N 0.053 120.481 120.400 0.046 0.000 2.144 459 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 459 D C 1.724 178.043 176.300 0.032 0.000 0.978 459 D CA 1.237 55.266 54.000 0.047 0.000 0.833 459 D CB -0.270 40.569 40.800 0.065 0.000 0.961 459 D HN 0.171 nan 8.370 nan 0.000 0.470 460 A N 1.016 123.847 122.820 0.018 0.000 1.902 460 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 460 A C 2.454 179.921 177.584 -0.195 0.000 1.181 460 A CA 2.166 54.176 52.037 -0.044 0.000 0.623 460 A CB -1.166 17.811 19.000 -0.038 0.000 0.818 460 A HN 0.358 nan 8.150 nan 0.000 0.443 461 A N -0.207 122.539 122.820 -0.123 0.000 1.908 461 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 461 A C 2.088 179.622 177.584 -0.084 0.000 1.181 461 A CA 1.956 53.913 52.037 -0.133 0.000 0.627 461 A CB -0.491 18.475 19.000 -0.056 0.000 0.818 461 A HN 0.602 nan 8.150 nan 0.000 0.445 462 E N 0.241 120.429 120.200 -0.020 0.000 2.077 462 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 462 E C 2.116 178.769 176.600 0.088 0.000 0.989 462 E CA 1.596 58.031 56.400 0.059 0.000 0.800 462 E CB -0.671 29.066 29.700 0.062 0.000 0.746 462 E HN 0.443 nan 8.360 nan 0.000 0.452 463 G N 0.816 109.627 108.800 0.017 0.000 2.408 463 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 463 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 463 G C 1.627 176.498 174.900 -0.048 0.000 1.150 463 G CA 0.818 45.964 45.100 0.078 0.000 0.776 463 G HN 0.244 nan 8.290 nan 0.000 0.542 464 I N 0.427 120.692 120.570 -0.508 0.000 2.252 464 I HA -0.062 4.107 4.170 -0.000 0.000 0.245 464 I C 2.330 178.365 176.117 -0.137 0.000 1.102 464 I CA 1.283 62.221 61.300 -0.604 0.000 1.385 464 I CB -0.648 36.964 38.000 -0.647 0.000 1.064 464 I HN 0.337 nan 8.210 nan 0.000 0.414 465 H N 1.023 119.989 119.070 -0.172 0.000 2.352 465 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 465 H C 2.169 177.528 175.328 0.052 0.000 1.097 465 H CA 1.866 57.886 56.048 -0.046 0.000 1.311 465 H CB -0.145 29.644 29.762 0.046 0.000 1.377 465 H HN 0.251 nan 8.280 nan 0.000 0.504 466 A N -0.161 122.621 122.820 -0.063 0.000 1.902 466 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 466 A C 2.375 179.928 177.584 -0.052 0.000 1.181 466 A CA 1.610 53.583 52.037 -0.106 0.000 0.623 466 A CB -1.381 17.651 19.000 0.053 0.000 0.818 466 A HN 0.690 nan 8.150 nan 0.000 0.443 467 Y N 0.540 120.830 120.300 -0.018 0.000 2.145 467 Y HA -0.075 4.475 4.550 -0.000 0.000 0.286 467 Y C 2.665 178.559 175.900 -0.011 0.000 1.145 467 Y CA 1.408 59.528 58.100 0.033 0.000 1.148 467 Y CB -0.552 38.003 38.460 0.159 0.000 0.981 467 Y HN 0.299 nan 8.280 nan 0.000 0.507 468 A N 1.114 123.925 122.820 -0.016 0.000 1.902 468 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 468 A C 2.178 179.690 177.584 -0.122 0.000 1.181 468 A CA 2.116 54.112 52.037 -0.069 0.000 0.623 468 A CB -0.733 18.267 19.000 0.000 0.000 0.818 468 A HN 0.655 nan 8.150 nan 0.000 0.443 469 K N -0.166 120.143 120.400 -0.151 0.000 2.147 469 K HA 0.068 4.388 4.320 -0.000 0.000 0.205 469 K C 1.994 178.504 176.600 -0.151 0.000 1.049 469 K CA 1.317 57.517 56.287 -0.145 0.000 0.936 469 K CB -0.551 31.784 32.500 -0.274 0.000 0.722 469 K HN 0.262 nan 8.250 nan 0.000 0.446 470 A N 2.099 124.795 122.820 -0.207 0.000 1.933 470 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 470 A C 2.007 179.467 177.584 -0.206 0.000 1.175 470 A CA 1.391 53.311 52.037 -0.195 0.000 0.628 470 A CB -0.312 18.549 19.000 -0.232 0.000 0.814 470 A HN 0.144 nan 8.150 nan 0.000 0.444 471 K N -0.074 120.156 120.400 -0.284 0.000 2.057 471 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 471 K C 2.157 178.694 176.600 -0.105 0.000 1.049 471 K CA 1.361 57.522 56.287 -0.209 0.000 0.931 471 K CB -0.799 31.583 32.500 -0.197 0.000 0.714 471 K HN 0.468 nan 8.250 nan 0.000 0.440 472 A N 0.756 123.528 122.820 -0.079 0.000 2.067 472 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 472 A C 0.905 178.462 177.584 -0.045 0.000 1.158 472 A CA 1.511 53.524 52.037 -0.040 0.000 0.661 472 A CB -0.328 18.661 19.000 -0.018 0.000 0.801 472 A HN 0.545 nan 8.150 nan 0.000 0.452 473 E N -2.988 117.173 120.200 -0.064 0.000 2.833 473 E HA -0.157 4.193 4.350 -0.000 0.000 0.289 473 E C -0.122 176.453 176.600 -0.041 0.000 0.980 473 E CA 0.206 56.575 56.400 -0.052 0.000 0.897 473 E CB -1.758 27.919 29.700 -0.038 0.000 1.440 473 E HN 1.057 nan 8.360 nan 0.000 0.410 474 A N 0.862 123.653 122.820 -0.048 0.000 2.343 474 A HA 0.734 5.054 4.320 -0.000 0.000 0.316 474 A C -2.668 174.889 177.584 -0.044 0.000 1.104 474 A CA -1.395 50.621 52.037 -0.034 0.000 0.768 474 A CB 1.370 20.359 19.000 -0.019 0.000 1.213 474 A HN 0.069 nan 8.150 nan 0.000 0.456 475 P HA 0.325 nan 4.420 nan 0.000 0.272 475 P C -0.481 176.821 177.300 0.003 0.000 1.230 475 P CA -0.093 62.997 63.100 -0.017 0.000 0.788 475 P CB 1.105 32.802 31.700 -0.004 0.000 0.949 476 V N 0.827 120.749 119.914 0.013 0.000 2.823 476 V HA 0.704 4.824 4.120 -0.000 0.000 0.312 476 V C 0.721 176.852 176.094 0.062 0.000 1.072 476 V CA -0.116 62.228 62.300 0.073 0.000 0.937 476 V CB 1.461 33.332 31.823 0.081 0.000 1.013 476 V HN 0.611 nan 8.190 nan 0.000 0.430 477 A N 3.979 126.842 122.820 0.071 0.000 1.821 477 A HA 0.254 4.574 4.320 -0.000 0.000 0.215 477 A C 1.495 179.105 177.584 0.044 0.000 1.216 477 A CA 3.695 55.760 52.037 0.047 0.000 0.615 477 A CB -0.556 18.468 19.000 0.041 0.000 0.862 477 A HN 2.101 nan 8.150 nan 0.000 0.450 478 V N -5.498 114.446 119.914 0.049 0.000 4.245 478 V HA 0.109 4.229 4.120 -0.000 0.000 0.202 478 V C 2.081 178.201 176.094 0.043 0.000 1.565 478 V CA 0.484 62.810 62.300 0.043 0.000 0.796 478 V CB -1.242 30.600 31.823 0.032 0.000 0.857 478 V HN 0.991 nan 8.190 nan 0.000 0.546 479 A N 1.731 124.573 122.820 0.035 0.000 1.940 479 A HA 0.528 4.848 4.320 -0.000 0.000 0.219 479 A C 1.614 179.218 177.584 0.033 0.000 1.176 479 A CA 2.769 54.823 52.037 0.028 0.000 0.631 479 A CB -0.849 18.163 19.000 0.020 0.000 0.814 479 A HN 2.759 nan 8.150 nan 0.000 0.446 480 A N -1.568 121.278 122.820 0.043 0.000 2.435 480 A HA 0.218 4.538 4.320 -0.000 0.000 0.686 480 A C -0.025 177.570 177.584 0.019 0.000 0.138 480 A CA 1.012 53.075 52.037 0.044 0.000 0.024 480 A CB -1.300 17.729 19.000 0.048 0.000 3.974 480 A HN 2.094 nan 8.150 nan 0.000 0.548 481 E N 0.000 120.200 120.200 -0.001 0.000 2.725 481 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 481 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 481 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 481 E HN 0.000 nan 8.360 nan 0.000 0.440