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 1oy0_1_A DATA FIRST_RESID 18 DATA SEQUENCE RTKIRTHHLQ RWKADGHKWA MLTAYDYSTA RIFDEAGIPV LLVGDSAANV DATA SEQUENCE VYGYDTTVPI SIDELIPLVR GVVRGAPHAL VVADLPFGSY EAGPTAALAA DATA SEQUENCE ATRFLKDGGA HAVKLEGGER VAEQIACLTA AGIPVMAHIG FTPXXXXXXX DATA SEQUENCE XXXXXXXGDA AEQTIADAIA VAEAGAFAVV MEMVPAELAT QITGKLTIPT DATA SEQUENCE VGIGAGPNCD GQVLVWQDMA GFSGAKTARF VKRYADVGGE LRRAAMQYAQ DATA SEQUENCE EVAGGVFPAD EH 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.385 176.300 0.141 0.000 0.893 18 R CA 0.000 56.145 56.100 0.076 0.000 0.921 18 R CB 0.000 30.279 30.300 -0.035 0.000 0.687 19 T N 1.798 116.425 114.554 0.122 0.000 2.829 19 T HA 0.401 4.751 4.350 -0.001 0.000 0.282 19 T C -0.732 174.074 174.700 0.178 0.000 0.990 19 T CA -0.664 61.511 62.100 0.125 0.000 1.028 19 T CB 1.330 70.229 68.868 0.052 0.000 0.951 19 T HN 0.199 nan 8.240 nan 0.000 0.460 20 K N 3.151 123.629 120.400 0.131 0.000 2.262 20 K HA 0.302 4.622 4.320 -0.001 0.000 0.282 20 K C 0.103 176.739 176.600 0.060 0.000 1.066 20 K CA -0.762 55.564 56.287 0.064 0.000 0.901 20 K CB 0.659 33.129 32.500 -0.051 0.000 1.089 20 K HN 0.417 nan 8.250 nan 0.000 0.476 21 I N 4.207 124.815 120.570 0.062 0.000 2.752 21 I HA -0.043 4.126 4.170 -0.001 0.000 0.289 21 I C 0.867 176.828 176.117 -0.261 0.000 1.197 21 I CA 0.700 62.028 61.300 0.046 0.000 1.432 21 I CB -0.302 37.704 38.000 0.009 0.000 1.359 21 I HN 0.464 nan 8.210 nan 0.000 0.571 22 R N 3.567 123.697 120.500 -0.617 0.000 2.892 22 R HA 0.364 4.703 4.340 -0.001 0.000 0.265 22 R C 1.249 177.110 176.300 -0.733 0.000 1.025 22 R CA -0.385 55.316 56.100 -0.665 0.000 0.982 22 R CB 0.878 30.820 30.300 -0.596 0.000 1.185 22 R HN 0.715 nan 8.270 nan 0.000 0.484 23 T N -1.295 112.905 114.554 -0.589 0.000 2.759 23 T HA -0.217 4.132 4.350 -0.001 0.000 0.269 23 T C 1.663 176.084 174.700 -0.465 0.000 1.042 23 T CA 1.885 63.607 62.100 -0.630 0.000 1.140 23 T CB -0.523 67.876 68.868 -0.781 0.000 0.864 23 T HN 0.741 nan 8.240 nan 0.000 0.455 24 H N 1.145 119.950 119.070 -0.443 0.000 2.457 24 H HA -0.118 4.438 4.556 -0.001 0.000 0.297 24 H C 1.925 177.050 175.328 -0.339 0.000 1.092 24 H CA 1.773 57.628 56.048 -0.322 0.000 1.309 24 H CB -1.160 28.436 29.762 -0.276 0.000 1.382 24 H HN 0.652 nan 8.280 nan 0.000 0.535 25 H N 0.911 119.278 119.070 -1.171 0.000 2.352 25 H HA -0.039 4.517 4.556 -0.001 0.000 0.299 25 H C 2.620 177.154 175.328 -1.325 0.000 1.097 25 H CA 1.127 56.381 56.048 -1.323 0.000 1.311 25 H CB 0.269 29.144 29.762 -1.478 0.000 1.377 25 H HN 0.227 nan 8.280 nan 0.000 0.504 26 L N 0.332 121.044 121.223 -0.850 0.000 2.131 26 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 26 L C 2.614 179.417 176.870 -0.111 0.000 1.092 26 L CA 0.934 55.443 54.840 -0.551 0.000 0.759 26 L CB -0.311 41.473 42.059 -0.459 0.000 0.903 26 L HN 0.264 nan 8.230 nan 0.000 0.435 27 Q N 0.678 120.406 119.800 -0.120 0.000 2.046 27 Q HA -0.144 4.196 4.340 -0.001 0.000 0.200 27 Q C 2.295 178.320 176.000 0.042 0.000 0.975 27 Q CA 1.586 57.402 55.803 0.022 0.000 0.836 27 Q CB -0.031 28.718 28.738 0.018 0.000 0.896 27 Q HN 0.271 nan 8.270 nan 0.000 0.428 28 R N -1.027 119.443 120.500 -0.050 0.000 2.083 28 R HA -0.179 4.161 4.340 -0.001 0.000 0.237 28 R C 2.029 178.440 176.300 0.185 0.000 1.137 28 R CA 1.606 57.718 56.100 0.019 0.000 0.951 28 R CB -0.536 29.722 30.300 -0.070 0.000 0.851 28 R HN 0.374 nan 8.270 nan 0.000 0.434 29 W N 1.407 122.754 121.300 0.078 0.000 2.350 29 W HA -0.139 4.521 4.660 -0.000 0.000 0.289 29 W C 2.065 178.700 176.519 0.193 0.000 1.215 29 W CA 0.580 58.025 57.345 0.165 0.000 1.236 29 W CB -0.672 28.908 29.460 0.201 0.000 1.130 29 W HN 0.183 nan 8.180 nan 0.000 0.541 30 K N 0.279 120.914 120.400 0.392 0.000 2.097 30 K HA -0.086 4.234 4.320 -0.001 0.000 0.205 30 K C 2.180 178.901 176.600 0.201 0.000 1.050 30 K CA 1.596 58.053 56.287 0.282 0.000 0.938 30 K CB -0.191 32.449 32.500 0.233 0.000 0.718 30 K HN -0.055 nan 8.250 nan 0.000 0.442 31 A N 1.575 124.505 122.820 0.182 0.000 1.855 31 A HA -0.143 4.176 4.320 -0.001 0.000 0.215 31 A C 1.474 179.141 177.584 0.138 0.000 1.191 31 A CA 1.825 53.943 52.037 0.134 0.000 0.613 31 A CB -0.455 18.611 19.000 0.110 0.000 0.829 31 A HN 0.368 nan 8.150 nan 0.000 0.442 32 D N -0.813 119.695 120.400 0.180 0.000 2.378 32 D HA 0.184 4.824 4.640 -0.001 0.000 0.227 32 D C 1.324 177.716 176.300 0.154 0.000 1.012 32 D CA 1.100 55.195 54.000 0.158 0.000 0.905 32 D CB -0.271 40.639 40.800 0.184 0.000 0.895 32 D HN 0.659 nan 8.370 nan 0.000 0.532 33 G N 1.285 110.190 108.800 0.175 0.000 2.160 33 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.251 33 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.251 33 G C 0.088 175.087 174.900 0.164 0.000 1.008 33 G CA 0.135 45.320 45.100 0.141 0.000 0.724 33 G HN 0.515 nan 8.290 nan 0.000 0.514 34 H N 0.951 120.074 119.070 0.089 0.000 2.864 34 H HA 0.535 5.090 4.556 -0.001 0.000 0.281 34 H C 0.568 175.920 175.328 0.041 0.000 1.093 34 H CA -0.269 55.766 56.048 -0.022 0.000 1.453 34 H CB 0.376 30.012 29.762 -0.211 0.000 1.462 34 H HN 0.288 nan 8.280 nan 0.000 0.480 35 K N 6.855 127.079 120.400 -0.294 0.000 2.310 35 K HA 0.118 4.438 4.320 -0.001 0.000 0.290 35 K C -0.247 176.025 176.600 -0.548 0.000 1.077 35 K CA -0.486 55.605 56.287 -0.327 0.000 0.922 35 K CB 0.641 33.006 32.500 -0.226 0.000 1.057 35 K HN 0.551 nan 8.250 nan 0.000 0.479 36 W N 1.341 122.340 121.300 -0.503 0.000 2.436 36 W HA 0.683 5.343 4.660 -0.000 0.000 0.347 36 W C -0.717 175.666 176.519 -0.227 0.000 1.136 36 W CA -1.444 55.617 57.345 -0.472 0.000 1.286 36 W CB 0.409 29.684 29.460 -0.308 0.000 1.253 36 W HN 0.403 nan 8.180 nan 0.000 0.617 37 A N 3.979 126.807 122.820 0.012 0.000 2.317 37 A HA 0.709 5.029 4.320 -0.001 0.000 0.327 37 A C -0.960 176.679 177.584 0.091 0.000 1.178 37 A CA -1.011 50.980 52.037 -0.076 0.000 0.817 37 A CB 1.396 20.311 19.000 -0.142 0.000 1.189 37 A HN 0.815 nan 8.150 nan 0.000 0.489 38 M N 2.923 122.524 119.600 0.002 0.000 2.311 38 M HA 0.681 5.161 4.480 -0.001 0.000 0.325 38 M C -2.075 174.203 176.300 -0.037 0.000 1.061 38 M CA -0.749 54.607 55.300 0.094 0.000 0.957 38 M CB 1.314 34.016 32.600 0.170 0.000 1.646 38 M HN 0.591 nan 8.290 nan 0.000 0.434 39 L N 3.163 124.350 121.223 -0.060 0.000 2.354 39 L HA 0.595 4.935 4.340 -0.001 0.000 0.269 39 L C -0.217 176.656 176.870 0.004 0.000 1.005 39 L CA -0.036 54.725 54.840 -0.132 0.000 0.819 39 L CB 2.420 44.169 42.059 -0.517 0.000 1.311 39 L HN 0.742 nan 8.230 nan 0.000 0.423 40 T N 2.333 116.934 114.554 0.079 0.000 2.910 40 T HA 0.798 5.148 4.350 -0.001 0.000 0.293 40 T C -0.607 174.119 174.700 0.044 0.000 1.015 40 T CA 0.091 62.204 62.100 0.023 0.000 1.094 40 T CB 0.515 69.429 68.868 0.077 0.000 0.968 40 T HN 0.798 nan 8.240 nan 0.000 0.521 41 A N 3.282 125.883 122.820 -0.365 0.000 2.574 41 A HA 0.667 4.986 4.320 -0.001 0.000 0.297 41 A C -1.388 175.844 177.584 -0.586 0.000 1.062 41 A CA -0.634 51.219 52.037 -0.306 0.000 0.686 41 A CB 1.051 20.015 19.000 -0.060 0.000 1.285 41 A HN 0.907 nan 8.150 nan 0.000 0.403 42 Y N 0.198 120.625 120.300 0.212 0.000 2.728 42 Y HA 0.335 4.884 4.550 -0.001 0.000 0.256 42 Y C -0.046 175.913 175.900 0.099 0.000 1.112 42 Y CA -0.250 57.943 58.100 0.153 0.000 1.240 42 Y CB 0.673 39.220 38.460 0.144 0.000 1.337 42 Y HN 0.826 nan 8.280 nan 0.000 0.559 43 D N -3.909 116.580 120.400 0.148 0.000 2.639 43 D HA 0.087 4.727 4.640 -0.001 0.000 0.271 43 D C 0.356 176.682 176.300 0.042 0.000 1.254 43 D CA -0.934 53.133 54.000 0.112 0.000 0.810 43 D CB 0.391 41.257 40.800 0.110 0.000 1.351 43 D HN -0.139 nan 8.370 nan 0.000 0.427 44 Y N 1.252 121.534 120.300 -0.030 0.000 2.097 44 Y HA -0.187 4.363 4.550 -0.000 0.000 0.282 44 Y C 2.151 177.986 175.900 -0.107 0.000 1.152 44 Y CA 2.484 60.552 58.100 -0.053 0.000 1.136 44 Y CB -0.467 37.976 38.460 -0.029 0.000 0.975 44 Y HN 0.415 nan 8.280 nan 0.000 0.498 45 S N -0.606 115.017 115.700 -0.129 0.000 2.382 45 S HA -0.200 4.270 4.470 -0.001 0.000 0.228 45 S C 1.902 176.238 174.600 -0.439 0.000 1.027 45 S CA 1.743 59.779 58.200 -0.273 0.000 0.991 45 S CB -0.616 62.525 63.200 -0.099 0.000 0.823 45 S HN 0.611 nan 8.310 nan 0.000 0.469 46 T N 2.270 116.536 114.554 -0.481 0.000 2.737 46 T HA 0.001 4.351 4.350 -0.001 0.000 0.265 46 T C 2.192 176.352 174.700 -0.899 0.000 1.038 46 T CA 1.181 62.770 62.100 -0.850 0.000 1.144 46 T CB -0.542 67.787 68.868 -0.898 0.000 0.866 46 T HN 0.451 nan 8.240 nan 0.000 0.434 47 A N 1.954 124.445 122.820 -0.549 0.000 1.908 47 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 47 A C 2.251 179.635 177.584 -0.333 0.000 1.181 47 A CA 2.118 53.944 52.037 -0.351 0.000 0.627 47 A CB -0.598 18.283 19.000 -0.198 0.000 0.818 47 A HN 0.313 nan 8.150 nan 0.000 0.445 48 R N 0.284 120.508 120.500 -0.460 0.000 2.091 48 R HA -0.094 4.246 4.340 -0.001 0.000 0.238 48 R C 1.781 177.921 176.300 -0.265 0.000 1.136 48 R CA 2.021 57.888 56.100 -0.389 0.000 0.959 48 R CB -0.836 29.137 30.300 -0.546 0.000 0.856 48 R HN 0.591 nan 8.270 nan 0.000 0.437 49 I N -0.550 119.807 120.570 -0.355 0.000 2.142 49 I HA -0.279 3.891 4.170 -0.001 0.000 0.240 49 I C 2.038 178.101 176.117 -0.090 0.000 1.078 49 I CA 1.612 62.748 61.300 -0.272 0.000 1.343 49 I CB -0.366 37.381 38.000 -0.421 0.000 1.046 49 I HN 0.145 nan 8.210 nan 0.000 0.405 50 F N 0.685 120.505 119.950 -0.217 0.000 2.216 50 F HA -0.272 4.255 4.527 -0.000 0.000 0.300 50 F C 2.269 178.007 175.800 -0.102 0.000 1.085 50 F CA 0.968 58.868 58.000 -0.166 0.000 1.326 50 F CB -0.310 38.581 39.000 -0.183 0.000 1.027 50 F HN 0.193 nan 8.300 nan 0.000 0.497 51 D N 0.717 121.170 120.400 0.089 0.000 2.084 51 D HA -0.202 4.438 4.640 -0.001 0.000 0.196 51 D C 1.835 178.150 176.300 0.024 0.000 0.985 51 D CA 1.379 55.422 54.000 0.073 0.000 0.826 51 D CB -0.156 40.690 40.800 0.077 0.000 0.978 51 D HN 0.429 nan 8.370 nan 0.000 0.456 52 E N -0.566 119.628 120.200 -0.011 0.000 2.512 52 E HA 0.058 4.407 4.350 -0.001 0.000 0.195 52 E C 1.090 177.672 176.600 -0.029 0.000 1.083 52 E CA 0.440 56.817 56.400 -0.039 0.000 0.873 52 E CB 0.237 29.910 29.700 -0.046 0.000 0.897 52 E HN 0.259 nan 8.360 nan 0.000 0.514 53 A N 0.903 123.725 122.820 0.002 0.000 2.390 53 A HA 0.488 4.808 4.320 -0.001 0.000 0.232 53 A C 1.771 179.347 177.584 -0.014 0.000 1.233 53 A CA 0.299 52.338 52.037 0.004 0.000 0.907 53 A CB 0.083 19.112 19.000 0.049 0.000 0.967 53 A HN 0.441 nan 8.150 nan 0.000 0.512 54 G N -0.347 108.445 108.800 -0.012 0.000 2.176 54 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.253 54 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.253 54 G C 0.082 174.989 174.900 0.012 0.000 0.979 54 G CA 0.061 45.153 45.100 -0.013 0.000 0.641 54 G HN 0.353 nan 8.290 nan 0.000 0.530 55 I N 2.334 122.910 120.570 0.010 0.000 2.662 55 I HA 0.081 4.251 4.170 -0.001 0.000 0.285 55 I C 0.121 176.292 176.117 0.090 0.000 1.161 55 I CA -1.414 59.894 61.300 0.013 0.000 1.415 55 I CB 0.363 38.329 38.000 -0.058 0.000 1.385 55 I HN 0.059 nan 8.210 nan 0.000 0.552 56 P HA -0.018 nan 4.420 nan 0.000 0.221 56 P C 0.288 177.683 177.300 0.157 0.000 1.155 56 P CA 0.844 64.062 63.100 0.197 0.000 0.812 56 P CB 0.701 32.609 31.700 0.346 0.000 0.801 57 V N 1.335 121.362 119.914 0.188 0.000 2.531 57 V HA 0.341 4.461 4.120 -0.001 0.000 0.301 57 V C -0.032 176.161 176.094 0.165 0.000 1.034 57 V CA -0.707 61.703 62.300 0.182 0.000 0.865 57 V CB 2.360 34.345 31.823 0.270 0.000 0.995 57 V HN -0.087 nan 8.190 nan 0.000 0.424 58 L N 5.134 126.440 121.223 0.139 0.000 2.341 58 L HA 0.601 4.940 4.340 -0.001 0.000 0.278 58 L C -0.970 175.954 176.870 0.090 0.000 1.005 58 L CA -0.760 54.145 54.840 0.108 0.000 0.818 58 L CB 1.967 44.088 42.059 0.103 0.000 1.259 58 L HN 0.468 nan 8.230 nan 0.000 0.418 59 L N 4.699 125.958 121.223 0.060 0.000 2.294 59 L HA 0.386 4.726 4.340 -0.001 0.000 0.283 59 L C -0.375 176.496 176.870 0.002 0.000 1.015 59 L CA -0.231 54.639 54.840 0.050 0.000 0.831 59 L CB 1.569 43.666 42.059 0.063 0.000 1.217 59 L HN 0.283 nan 8.230 nan 0.000 0.420 60 V N 6.323 126.263 119.914 0.042 0.000 2.229 60 V HA 0.383 4.503 4.120 -0.001 0.000 0.245 60 V C 1.308 177.528 176.094 0.210 0.000 1.243 60 V CA 0.013 62.375 62.300 0.103 0.000 1.176 60 V CB -0.506 31.412 31.823 0.158 0.000 1.323 60 V HN 0.888 nan 8.190 nan 0.000 0.499 61 G N 2.884 111.867 108.800 0.306 0.000 2.634 61 G HA2 0.225 4.185 3.960 -0.001 0.000 0.255 61 G HA3 0.225 4.185 3.960 -0.001 0.000 0.255 61 G C 0.676 175.799 174.900 0.372 0.000 1.205 61 G CA 0.026 45.331 45.100 0.341 0.000 0.884 61 G HN 0.732 nan 8.290 nan 0.000 0.549 62 D N -1.641 118.917 120.400 0.264 0.000 2.339 62 D HA -0.093 4.547 4.640 -0.001 0.000 0.217 62 D C 2.033 178.454 176.300 0.202 0.000 1.050 62 D CA 0.723 54.864 54.000 0.235 0.000 0.856 62 D CB -0.241 40.682 40.800 0.205 0.000 0.922 62 D HN 0.318 nan 8.370 nan 0.000 0.518 63 S N 0.166 115.995 115.700 0.215 0.000 2.507 63 S HA 0.071 4.540 4.470 -0.001 0.000 0.235 63 S C 2.082 176.669 174.600 -0.021 0.000 0.988 63 S CA 0.415 58.702 58.200 0.145 0.000 0.944 63 S CB -0.245 63.082 63.200 0.212 0.000 0.762 63 S HN 0.364 nan 8.310 nan 0.000 0.526 64 A N 1.901 124.659 122.820 -0.103 0.000 2.019 64 A HA 0.256 4.576 4.320 -0.001 0.000 0.219 64 A C 2.462 179.987 177.584 -0.097 0.000 1.164 64 A CA 1.377 53.131 52.037 -0.471 0.000 0.644 64 A CB -1.290 17.555 19.000 -0.258 0.000 0.805 64 A HN 0.761 nan 8.150 nan 0.000 0.449 65 A N 0.571 123.495 122.820 0.174 0.000 1.917 65 A HA -0.275 4.044 4.320 -0.001 0.000 0.219 65 A C 1.862 179.599 177.584 0.254 0.000 1.182 65 A CA 2.199 54.478 52.037 0.402 0.000 0.633 65 A CB -0.690 18.513 19.000 0.339 0.000 0.819 65 A HN 0.694 nan 8.150 nan 0.000 0.448 66 N N -0.279 118.474 118.700 0.088 0.000 2.178 66 N HA -0.013 4.726 4.740 -0.001 0.000 0.189 66 N C 1.654 177.114 175.510 -0.083 0.000 1.048 66 N CA 1.781 54.845 53.050 0.023 0.000 0.855 66 N CB -0.594 37.906 38.487 0.022 0.000 1.028 66 N HN 0.401 nan 8.380 nan 0.000 0.441 67 V N -0.979 118.837 119.914 -0.163 0.000 2.594 67 V HA -0.086 4.033 4.120 -0.001 0.000 0.253 67 V C 1.657 177.579 176.094 -0.286 0.000 1.069 67 V CA 1.348 63.513 62.300 -0.225 0.000 1.082 67 V CB -0.786 30.860 31.823 -0.294 0.000 0.680 67 V HN 0.118 nan 8.190 nan 0.000 0.469 68 V N -0.975 118.685 119.914 -0.423 0.000 2.581 68 V HA 0.092 4.212 4.120 -0.001 0.000 0.240 68 V C 2.126 177.862 176.094 -0.598 0.000 1.054 68 V CA 1.397 63.352 62.300 -0.576 0.000 1.076 68 V CB -0.542 30.737 31.823 -0.908 0.000 0.748 68 V HN 0.538 nan 8.190 nan 0.000 0.474 69 Y N 0.422 120.618 120.300 -0.173 0.000 2.449 69 Y HA 0.481 5.031 4.550 -0.001 0.000 0.254 69 Y C 1.884 177.513 175.900 -0.452 0.000 1.140 69 Y CA 0.470 58.379 58.100 -0.320 0.000 1.272 69 Y CB 0.493 38.702 38.460 -0.420 0.000 1.114 69 Y HN 0.332 nan 8.280 nan 0.000 0.525 70 G N -0.008 108.687 108.800 -0.174 0.000 2.147 70 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.244 70 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.244 70 G C -0.286 174.550 174.900 -0.107 0.000 1.005 70 G CA -0.327 44.690 45.100 -0.137 0.000 0.713 70 G HN 0.447 nan 8.290 nan 0.000 0.515 71 Y N 0.622 120.965 120.300 0.071 0.000 2.309 71 Y HA 0.336 4.885 4.550 -0.001 0.000 0.327 71 Y C 1.634 177.551 175.900 0.028 0.000 1.172 71 Y CA -0.247 57.883 58.100 0.051 0.000 1.280 71 Y CB 0.826 39.324 38.460 0.063 0.000 1.234 71 Y HN 0.257 nan 8.280 nan 0.000 0.512 72 D N -1.145 119.367 120.400 0.186 0.000 2.328 72 D HA 0.057 4.696 4.640 -0.001 0.000 0.226 72 D C -0.022 176.325 176.300 0.077 0.000 1.066 72 D CA 0.324 54.383 54.000 0.097 0.000 0.861 72 D CB 0.109 40.947 40.800 0.064 0.000 0.912 72 D HN 0.367 nan 8.370 nan 0.000 0.521 73 T N -1.669 112.944 114.554 0.098 0.000 2.731 73 T HA 0.408 4.758 4.350 -0.001 0.000 0.300 73 T C 0.362 175.092 174.700 0.050 0.000 1.283 73 T CA -0.286 61.836 62.100 0.037 0.000 1.005 73 T CB 1.714 70.563 68.868 -0.030 0.000 1.420 73 T HN 0.033 nan 8.240 nan 0.000 0.503 74 T N -1.048 113.509 114.554 0.005 0.000 3.134 74 T HA 0.233 4.583 4.350 -0.001 0.000 0.260 74 T C 1.505 176.193 174.700 -0.020 0.000 1.027 74 T CA -0.061 62.061 62.100 0.036 0.000 0.913 74 T CB -0.182 68.726 68.868 0.067 0.000 1.046 74 T HN 0.221 nan 8.240 nan 0.000 0.553 75 V N 2.924 122.762 119.914 -0.127 0.000 2.407 75 V HA 0.038 4.157 4.120 -0.001 0.000 0.245 75 V C 0.309 176.370 176.094 -0.056 0.000 1.041 75 V CA 1.142 63.322 62.300 -0.201 0.000 1.040 75 V CB -0.768 30.848 31.823 -0.345 0.000 0.671 75 V HN 0.463 nan 8.190 nan 0.000 0.455 76 P HA -0.020 nan 4.420 nan 0.000 0.224 76 P C 0.966 178.046 177.300 -0.367 0.000 1.157 76 P CA 0.654 63.531 63.100 -0.372 0.000 0.799 76 P CB 0.264 31.521 31.700 -0.739 0.000 0.809 77 I N 1.730 122.131 120.570 -0.282 0.000 2.845 77 I HA -0.049 4.121 4.170 -0.001 0.000 0.296 77 I C 0.588 176.719 176.117 0.023 0.000 1.216 77 I CA 0.201 61.466 61.300 -0.057 0.000 1.438 77 I CB 0.519 38.615 38.000 0.160 0.000 1.342 77 I HN 0.075 nan 8.210 nan 0.000 0.577 78 S N 6.617 122.329 115.700 0.020 0.000 2.681 78 S HA 0.426 4.896 4.470 -0.001 0.000 0.299 78 S C 1.118 175.781 174.600 0.105 0.000 1.113 78 S CA -0.869 57.358 58.200 0.045 0.000 1.013 78 S CB 1.639 64.838 63.200 -0.002 0.000 1.076 78 S HN 0.656 nan 8.310 nan 0.000 0.534 79 I N 0.732 121.368 120.570 0.109 0.000 2.208 79 I HA -0.192 3.977 4.170 -0.001 0.000 0.245 79 I C 1.572 177.708 176.117 0.032 0.000 1.097 79 I CA 1.489 62.863 61.300 0.124 0.000 1.363 79 I CB -0.392 37.616 38.000 0.014 0.000 1.051 79 I HN 0.682 nan 8.210 nan 0.000 0.413 80 D N 0.606 121.007 120.400 0.001 0.000 2.310 80 D HA -0.144 4.496 4.640 -0.001 0.000 0.212 80 D C 1.734 178.050 176.300 0.027 0.000 0.965 80 D CA 0.967 54.961 54.000 -0.011 0.000 0.879 80 D CB -0.121 40.667 40.800 -0.021 0.000 0.921 80 D HN 0.499 nan 8.370 nan 0.000 0.510 81 E N -0.392 119.830 120.200 0.036 0.000 2.478 81 E HA 0.082 4.432 4.350 -0.001 0.000 0.194 81 E C 1.713 178.464 176.600 0.251 0.000 1.045 81 E CA 0.016 56.433 56.400 0.029 0.000 0.868 81 E CB 0.531 30.092 29.700 -0.231 0.000 0.885 81 E HN 0.264 nan 8.360 nan 0.000 0.505 82 L N -0.332 121.041 121.223 0.249 0.000 2.515 82 L HA 0.111 4.451 4.340 -0.001 0.000 0.202 82 L C 2.119 179.168 176.870 0.299 0.000 1.056 82 L CA 0.073 55.125 54.840 0.353 0.000 0.847 82 L CB -0.016 42.331 42.059 0.481 0.000 1.131 82 L HN 0.070 nan 8.230 nan 0.000 0.484 83 I N 1.435 122.094 120.570 0.148 0.000 2.113 83 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 83 I C -0.387 175.782 176.117 0.087 0.000 1.064 83 I CA 1.834 63.150 61.300 0.026 0.000 1.320 83 I CB -1.524 36.367 38.000 -0.182 0.000 1.028 83 I HN 0.257 nan 8.210 nan 0.000 0.406 84 P HA -0.151 nan 4.420 nan 0.000 0.220 84 P C 1.921 179.300 177.300 0.132 0.000 1.148 84 P CA 1.566 64.722 63.100 0.094 0.000 0.803 84 P CB -0.051 31.702 31.700 0.089 0.000 0.782 85 L N -0.947 120.388 121.223 0.187 0.000 2.109 85 L HA -0.086 4.254 4.340 -0.001 0.000 0.207 85 L C 2.738 179.721 176.870 0.188 0.000 1.086 85 L CA 0.998 55.962 54.840 0.207 0.000 0.760 85 L CB -1.075 41.150 42.059 0.276 0.000 0.910 85 L HN -0.170 nan 8.230 nan 0.000 0.437 86 V N 0.140 120.176 119.914 0.202 0.000 2.287 86 V HA -0.299 3.821 4.120 -0.001 0.000 0.248 86 V C 2.660 178.822 176.094 0.113 0.000 1.053 86 V CA 1.782 64.186 62.300 0.174 0.000 1.027 86 V CB -0.646 31.322 31.823 0.242 0.000 0.646 86 V HN 0.426 nan 8.190 nan 0.000 0.447 87 R N 0.059 120.619 120.500 0.100 0.000 2.103 87 R HA -0.158 4.182 4.340 -0.001 0.000 0.242 87 R C 2.458 178.809 176.300 0.086 0.000 1.142 87 R CA 1.614 57.756 56.100 0.069 0.000 0.960 87 R CB -0.916 29.414 30.300 0.050 0.000 0.858 87 R HN 0.613 nan 8.270 nan 0.000 0.439 88 G N 0.425 109.291 108.800 0.110 0.000 2.421 88 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.216 88 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.216 88 G C 1.481 176.492 174.900 0.184 0.000 1.171 88 G CA 0.658 45.851 45.100 0.155 0.000 0.775 88 G HN 0.137 nan 8.290 nan 0.000 0.543 89 V N 0.539 120.525 119.914 0.120 0.000 2.407 89 V HA -0.159 3.960 4.120 -0.001 0.000 0.248 89 V C 3.038 179.166 176.094 0.057 0.000 1.055 89 V CA 1.384 63.723 62.300 0.066 0.000 1.049 89 V CB -0.279 31.575 31.823 0.051 0.000 0.662 89 V HN 0.239 nan 8.190 nan 0.000 0.455 90 V N -0.059 119.887 119.914 0.054 0.000 2.407 90 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 90 V C 2.531 178.668 176.094 0.073 0.000 1.055 90 V CA 2.069 64.383 62.300 0.024 0.000 1.049 90 V CB -0.773 31.038 31.823 -0.021 0.000 0.662 90 V HN 0.495 nan 8.190 nan 0.000 0.455 91 R N -0.003 120.575 120.500 0.130 0.000 2.148 91 R HA -0.003 4.337 4.340 -0.001 0.000 0.223 91 R C 2.331 178.790 176.300 0.264 0.000 1.088 91 R CA 1.125 57.344 56.100 0.198 0.000 0.985 91 R CB -0.507 29.920 30.300 0.212 0.000 0.880 91 R HN 0.564 nan 8.270 nan 0.000 0.451 92 G N 0.034 108.923 108.800 0.149 0.000 2.551 92 G HA2 0.047 4.007 3.960 -0.001 0.000 0.216 92 G HA3 0.047 4.007 3.960 -0.001 0.000 0.216 92 G C 0.367 175.188 174.900 -0.131 0.000 1.137 92 G CA 0.348 45.310 45.100 -0.230 0.000 0.798 92 G HN 0.300 nan 8.290 nan 0.000 0.536 93 A N 0.618 123.428 122.820 -0.016 0.000 2.938 93 A HA 0.673 4.993 4.320 -0.001 0.000 0.344 93 A C -1.598 176.021 177.584 0.059 0.000 1.142 93 A CA -1.044 51.016 52.037 0.038 0.000 0.841 93 A CB 1.197 20.232 19.000 0.058 0.000 1.083 93 A HN 0.013 nan 8.150 nan 0.000 0.479 94 P HA -0.113 nan 4.420 nan 0.000 0.222 94 P C 0.498 177.613 177.300 -0.308 0.000 1.147 94 P CA 1.490 64.489 63.100 -0.168 0.000 0.790 94 P CB 0.093 31.616 31.700 -0.295 0.000 0.780 95 H N -2.209 116.886 119.070 0.042 0.000 2.648 95 H HA 0.436 4.991 4.556 -0.000 0.000 0.265 95 H C 0.859 176.210 175.328 0.038 0.000 0.961 95 H CA -0.064 56.003 56.048 0.031 0.000 1.185 95 H CB -0.083 29.697 29.762 0.029 0.000 1.449 95 H HN 0.037 nan 8.280 nan 0.000 0.523 96 A N 1.071 123.985 122.820 0.156 0.000 2.286 96 A HA 0.425 4.745 4.320 -0.001 0.000 0.286 96 A C -0.432 177.230 177.584 0.129 0.000 1.097 96 A CA -0.600 51.518 52.037 0.136 0.000 0.821 96 A CB 0.264 19.349 19.000 0.141 0.000 1.076 96 A HN 0.279 nan 8.150 nan 0.000 0.490 97 L N 2.617 123.900 121.223 0.101 0.000 2.268 97 L HA 0.482 4.821 4.340 -0.001 0.000 0.289 97 L C -0.658 176.367 176.870 0.258 0.000 1.064 97 L CA 0.079 54.998 54.840 0.131 0.000 0.824 97 L CB 0.622 42.651 42.059 -0.050 0.000 1.202 97 L HN 0.329 nan 8.230 nan 0.000 0.433 98 V N 6.339 126.514 119.914 0.434 0.000 2.408 98 V HA 0.321 4.441 4.120 -0.001 0.000 0.267 98 V C 0.054 176.188 176.094 0.068 0.000 1.047 98 V CA -0.503 61.865 62.300 0.112 0.000 0.937 98 V CB 1.259 33.031 31.823 -0.084 0.000 0.999 98 V HN 0.525 nan 8.190 nan 0.000 0.472 99 V N 4.615 124.584 119.914 0.092 0.000 2.398 99 V HA 0.718 4.837 4.120 -0.001 0.000 0.286 99 V C 0.465 176.576 176.094 0.028 0.000 1.026 99 V CA -0.557 61.796 62.300 0.089 0.000 0.868 99 V CB 1.554 33.464 31.823 0.145 0.000 0.982 99 V HN 0.943 nan 8.190 nan 0.000 0.443 100 A N 3.118 125.918 122.820 -0.035 0.000 2.276 100 A HA 0.595 4.914 4.320 -0.001 0.000 0.316 100 A C -0.383 177.007 177.584 -0.323 0.000 1.229 100 A CA -0.446 51.495 52.037 -0.160 0.000 0.851 100 A CB 0.666 19.559 19.000 -0.179 0.000 1.165 100 A HN 0.789 nan 8.150 nan 0.000 0.513 101 D N 2.379 122.625 120.400 -0.257 0.000 2.312 101 D HA 0.334 4.973 4.640 -0.001 0.000 0.252 101 D C -0.255 175.851 176.300 -0.323 0.000 1.150 101 D CA 0.080 53.967 54.000 -0.189 0.000 0.870 101 D CB 0.541 41.348 40.800 0.011 0.000 1.153 101 D HN 0.428 nan 8.370 nan 0.000 0.457 102 L N 5.775 126.852 121.223 -0.244 0.000 2.361 102 L HA 0.288 4.628 4.340 -0.001 0.000 0.278 102 L C -1.826 175.169 176.870 0.208 0.000 1.113 102 L CA -1.719 53.074 54.840 -0.079 0.000 0.849 102 L CB 0.761 42.785 42.059 -0.059 0.000 1.155 102 L HN 0.268 nan 8.230 nan 0.000 0.452 103 P HA -0.055 nan 4.420 nan 0.000 0.269 103 P C -0.420 177.038 177.300 0.263 0.000 1.215 103 P CA -0.413 62.849 63.100 0.270 0.000 0.780 103 P CB 0.352 32.201 31.700 0.249 0.000 0.898 104 F N 1.896 121.899 119.950 0.088 0.000 2.608 104 F HA 0.285 4.812 4.527 -0.001 0.000 0.380 104 F C 1.488 177.231 175.800 -0.095 0.000 1.083 104 F CA 1.788 59.772 58.000 -0.027 0.000 1.266 104 F CB -0.490 38.489 39.000 -0.035 0.000 1.076 104 F HN 0.676 nan 8.300 nan 0.000 0.574 105 G N 2.967 111.062 108.800 -1.173 0.000 2.241 105 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.244 105 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.244 105 G C 1.058 175.664 174.900 -0.489 0.000 0.998 105 G CA 0.654 45.161 45.100 -0.988 0.000 0.621 105 G HN 1.395 nan 8.290 nan 0.000 0.519 106 S N -0.243 115.287 115.700 -0.284 0.000 2.562 106 S HA 0.327 4.797 4.470 -0.001 0.000 0.221 106 S C 1.488 176.127 174.600 0.065 0.000 0.975 106 S CA 1.503 59.685 58.200 -0.030 0.000 0.918 106 S CB -0.382 62.918 63.200 0.166 0.000 0.772 106 S HN 1.592 nan 8.310 nan 0.000 0.531 107 Y N -1.368 118.900 120.300 -0.055 0.000 2.648 107 Y HA 0.595 5.145 4.550 -0.001 0.000 0.270 107 Y C 1.130 177.006 175.900 -0.041 0.000 1.043 107 Y CA -0.571 57.513 58.100 -0.027 0.000 1.238 107 Y CB -0.138 38.320 38.460 -0.003 0.000 1.385 107 Y HN 0.047 nan 8.280 nan 0.000 0.569 108 E N 1.965 121.883 120.200 -0.471 0.000 2.268 108 E HA -0.005 4.345 4.350 -0.001 0.000 0.195 108 E C 2.212 178.737 176.600 -0.125 0.000 0.995 108 E CA 1.298 57.525 56.400 -0.289 0.000 0.836 108 E CB -0.117 29.347 29.700 -0.393 0.000 0.763 108 E HN 0.594 nan 8.360 nan 0.000 0.491 109 A N 0.353 123.102 122.820 -0.118 0.000 2.015 109 A HA 0.281 4.601 4.320 -0.001 0.000 0.219 109 A C 1.258 178.830 177.584 -0.021 0.000 1.163 109 A CA 1.364 53.362 52.037 -0.066 0.000 0.646 109 A CB -0.248 18.713 19.000 -0.065 0.000 0.806 109 A HN 0.317 nan 8.150 nan 0.000 0.448 110 G N -3.371 105.434 108.800 0.008 0.000 2.369 110 G HA2 0.247 4.207 3.960 -0.001 0.000 0.293 110 G HA3 0.247 4.207 3.960 -0.001 0.000 0.293 110 G C -2.530 172.400 174.900 0.049 0.000 1.301 110 G CA -0.157 44.959 45.100 0.028 0.000 0.913 110 G HN -0.124 nan 8.290 nan 0.000 0.540 111 P HA -0.048 nan 4.420 nan 0.000 0.214 111 P C 2.126 179.453 177.300 0.045 0.000 1.163 111 P CA 2.962 66.090 63.100 0.046 0.000 0.883 111 P CB -0.138 31.582 31.700 0.034 0.000 0.788 112 T N -0.218 114.356 114.554 0.033 0.000 2.635 112 T HA -0.245 4.105 4.350 -0.001 0.000 0.267 112 T C 1.940 176.661 174.700 0.036 0.000 1.040 112 T CA 1.915 64.032 62.100 0.029 0.000 1.156 112 T CB -1.303 67.576 68.868 0.018 0.000 0.863 112 T HN 0.079 nan 8.240 nan 0.000 0.430 113 A N 1.866 124.707 122.820 0.034 0.000 1.851 113 A HA 0.135 4.455 4.320 -0.001 0.000 0.216 113 A C 2.776 180.406 177.584 0.077 0.000 1.195 113 A CA 2.164 54.224 52.037 0.039 0.000 0.622 113 A CB -1.426 17.585 19.000 0.017 0.000 0.831 113 A HN 0.565 nan 8.150 nan 0.000 0.444 114 A N -0.688 122.195 122.820 0.105 0.000 1.917 114 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 114 A C 2.173 179.823 177.584 0.110 0.000 1.182 114 A CA 1.958 54.083 52.037 0.146 0.000 0.633 114 A CB -0.692 18.399 19.000 0.152 0.000 0.819 114 A HN 0.742 nan 8.150 nan 0.000 0.448 115 L N -0.399 120.872 121.223 0.080 0.000 2.046 115 L HA -0.053 4.287 4.340 -0.001 0.000 0.208 115 L C 2.710 179.625 176.870 0.074 0.000 1.077 115 L CA 2.215 57.096 54.840 0.069 0.000 0.747 115 L CB -0.824 41.265 42.059 0.050 0.000 0.896 115 L HN 0.351 nan 8.230 nan 0.000 0.432 116 A N -0.501 122.358 122.820 0.065 0.000 1.877 116 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 116 A C 2.457 180.087 177.584 0.077 0.000 1.186 116 A CA 1.958 54.028 52.037 0.055 0.000 0.620 116 A CB -1.230 17.792 19.000 0.037 0.000 0.822 116 A HN 0.578 nan 8.150 nan 0.000 0.443 117 A N -0.090 122.800 122.820 0.117 0.000 1.858 117 A HA 0.120 4.440 4.320 -0.001 0.000 0.216 117 A C 2.555 180.326 177.584 0.312 0.000 1.190 117 A CA 2.382 54.535 52.037 0.193 0.000 0.617 117 A CB -1.187 17.966 19.000 0.254 0.000 0.827 117 A HN 1.129 nan 8.150 nan 0.000 0.443 118 A N -0.986 121.992 122.820 0.263 0.000 1.908 118 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 118 A C 2.284 180.003 177.584 0.224 0.000 1.181 118 A CA 2.387 54.584 52.037 0.265 0.000 0.627 118 A CB -1.433 17.648 19.000 0.135 0.000 0.818 118 A HN 0.458 nan 8.150 nan 0.000 0.445 119 T N -0.317 114.318 114.554 0.136 0.000 2.803 119 T HA -0.165 4.185 4.350 -0.001 0.000 0.269 119 T C 1.997 176.736 174.700 0.065 0.000 1.052 119 T CA 1.576 63.728 62.100 0.087 0.000 1.136 119 T CB -0.250 68.651 68.868 0.055 0.000 0.864 119 T HN 0.514 nan 8.240 nan 0.000 0.467 120 R N -0.106 120.416 120.500 0.037 0.000 2.075 120 R HA 0.031 4.371 4.340 -0.001 0.000 0.232 120 R C 2.182 178.419 176.300 -0.105 0.000 1.126 120 R CA 1.231 57.284 56.100 -0.078 0.000 0.963 120 R CB -0.481 29.703 30.300 -0.193 0.000 0.858 120 R HN 0.390 nan 8.270 nan 0.000 0.435 121 F N 0.827 120.797 119.950 0.033 0.000 2.269 121 F HA -0.151 4.376 4.527 -0.000 0.000 0.301 121 F C 2.139 177.949 175.800 0.016 0.000 1.082 121 F CA 1.003 59.023 58.000 0.032 0.000 1.360 121 F CB -0.035 38.991 39.000 0.043 0.000 1.041 121 F HN -0.027 nan 8.300 nan 0.000 0.512 122 L N -0.550 120.779 121.223 0.178 0.000 2.121 122 L HA -0.094 4.246 4.340 -0.001 0.000 0.200 122 L C 2.288 179.192 176.870 0.057 0.000 1.077 122 L CA 1.101 56.004 54.840 0.104 0.000 0.766 122 L CB -0.709 41.405 42.059 0.093 0.000 0.931 122 L HN -0.027 nan 8.230 nan 0.000 0.452 123 K N -0.293 120.132 120.400 0.041 0.000 2.097 123 K HA -0.189 4.130 4.320 -0.001 0.000 0.206 123 K C 1.621 178.223 176.600 0.005 0.000 1.049 123 K CA 1.529 57.827 56.287 0.019 0.000 0.933 123 K CB -0.022 32.485 32.500 0.012 0.000 0.717 123 K HN 0.239 nan 8.250 nan 0.000 0.442 124 D N -0.393 120.000 120.400 -0.011 0.000 2.468 124 D HA -0.012 4.628 4.640 -0.001 0.000 0.243 124 D C 1.965 178.256 176.300 -0.014 0.000 0.994 124 D CA 1.064 55.047 54.000 -0.029 0.000 0.932 124 D CB -0.262 40.494 40.800 -0.072 0.000 1.078 124 D HN 0.111 nan 8.370 nan 0.000 0.473 125 G N -0.564 108.231 108.800 -0.008 0.000 2.448 125 G HA2 0.012 3.972 3.960 -0.001 0.000 0.219 125 G HA3 0.012 3.972 3.960 -0.001 0.000 0.219 125 G C 1.255 176.180 174.900 0.041 0.000 1.127 125 G CA 1.149 46.276 45.100 0.046 0.000 0.766 125 G HN 0.714 nan 8.290 nan 0.000 0.552 126 G N -1.097 107.718 108.800 0.026 0.000 2.159 126 G HA2 0.108 4.067 3.960 -0.001 0.000 0.256 126 G HA3 0.108 4.067 3.960 -0.001 0.000 0.256 126 G C 0.594 175.432 174.900 -0.103 0.000 0.977 126 G CA 0.638 45.731 45.100 -0.012 0.000 0.652 126 G HN 1.437 nan 8.290 nan 0.000 0.531 127 A N -0.445 122.341 122.820 -0.057 0.000 2.429 127 A HA 0.564 4.884 4.320 -0.001 0.000 0.242 127 A C 1.200 178.682 177.584 -0.171 0.000 1.088 127 A CA 0.906 52.850 52.037 -0.156 0.000 0.784 127 A CB 0.159 19.177 19.000 0.029 0.000 1.038 127 A HN 0.486 nan 8.150 nan 0.000 0.501 128 H N -0.195 118.897 119.070 0.036 0.000 2.604 128 H HA 0.469 5.025 4.556 -0.001 0.000 0.273 128 H C 0.645 175.970 175.328 -0.005 0.000 0.971 128 H CA 1.100 57.143 56.048 -0.009 0.000 1.249 128 H CB 0.165 29.895 29.762 -0.055 0.000 1.449 128 H HN 0.831 nan 8.280 nan 0.000 0.512 129 A N 0.800 123.698 122.820 0.129 0.000 2.599 129 A HA 0.578 4.898 4.320 -0.001 0.000 0.290 129 A C -0.870 176.779 177.584 0.109 0.000 1.101 129 A CA -0.251 51.877 52.037 0.150 0.000 0.674 129 A CB 1.312 20.462 19.000 0.249 0.000 1.277 129 A HN 0.044 nan 8.150 nan 0.000 0.419 130 V N -1.703 118.266 119.914 0.093 0.000 3.001 130 V HA 0.820 4.940 4.120 -0.001 0.000 0.314 130 V C -0.523 175.548 176.094 -0.039 0.000 1.099 130 V CA -0.896 61.384 62.300 -0.034 0.000 0.989 130 V CB 1.863 33.632 31.823 -0.092 0.000 1.040 130 V HN 0.969 nan 8.190 nan 0.000 0.434 131 K N 2.208 122.544 120.400 -0.106 0.000 2.307 131 K HA 0.663 4.983 4.320 -0.001 0.000 0.263 131 K C -1.831 174.662 176.600 -0.178 0.000 0.973 131 K CA -0.786 55.443 56.287 -0.096 0.000 0.846 131 K CB 1.696 34.176 32.500 -0.034 0.000 1.100 131 K HN 0.740 nan 8.250 nan 0.000 0.438 132 L N 4.142 125.233 121.223 -0.221 0.000 2.294 132 L HA 0.313 4.653 4.340 -0.001 0.000 0.283 132 L C -0.518 176.194 176.870 -0.264 0.000 1.015 132 L CA -0.155 54.419 54.840 -0.444 0.000 0.831 132 L CB 1.438 43.242 42.059 -0.424 0.000 1.217 132 L HN 0.639 nan 8.230 nan 0.000 0.420 133 E N 3.517 123.584 120.200 -0.220 0.000 2.289 133 E HA 0.613 4.962 4.350 -0.001 0.000 0.278 133 E C -0.305 176.318 176.600 0.038 0.000 1.032 133 E CA 0.060 56.426 56.400 -0.057 0.000 0.854 133 E CB 0.776 30.425 29.700 -0.086 0.000 1.046 133 E HN 0.866 nan 8.360 nan 0.000 0.409 134 G N 1.775 110.578 108.800 0.006 0.000 2.350 134 G HA2 0.328 4.288 3.960 -0.001 0.000 0.304 134 G HA3 0.328 4.288 3.960 -0.001 0.000 0.304 134 G C -0.436 174.480 174.900 0.027 0.000 1.421 134 G CA -0.461 44.667 45.100 0.047 0.000 0.934 134 G HN 0.712 nan 8.290 nan 0.000 0.632 135 G N -1.152 107.665 108.800 0.029 0.000 2.945 135 G HA2 0.561 4.521 3.960 -0.001 0.000 0.156 135 G HA3 0.561 4.521 3.960 -0.001 0.000 0.156 135 G C 0.839 175.753 174.900 0.023 0.000 1.375 135 G CA 0.683 45.796 45.100 0.022 0.000 1.039 135 G HN 0.711 nan 8.290 nan 0.000 0.586 136 E N 0.315 120.526 120.200 0.019 0.000 2.086 136 E HA -0.279 4.071 4.350 -0.001 0.000 0.200 136 E C 2.452 179.066 176.600 0.023 0.000 1.012 136 E CA 1.565 57.975 56.400 0.018 0.000 0.812 136 E CB -0.242 29.467 29.700 0.014 0.000 0.743 136 E HN 0.531 nan 8.360 nan 0.000 0.453 137 R N 0.685 121.200 120.500 0.025 0.000 2.276 137 R HA -0.133 4.207 4.340 -0.001 0.000 0.243 137 R C 1.528 177.856 176.300 0.046 0.000 1.161 137 R CA 1.411 57.529 56.100 0.030 0.000 1.007 137 R CB -0.282 30.036 30.300 0.029 0.000 0.867 137 R HN 0.070 nan 8.270 nan 0.000 0.472 138 V N 0.311 120.257 119.914 0.053 0.000 3.578 138 V HA 0.237 4.356 4.120 -0.001 0.000 0.290 138 V C 2.138 178.256 176.094 0.041 0.000 1.376 138 V CA 0.468 62.810 62.300 0.070 0.000 1.083 138 V CB 0.687 32.565 31.823 0.092 0.000 0.911 138 V HN 0.441 nan 8.190 nan 0.000 0.433 139 A N 0.559 123.396 122.820 0.029 0.000 1.908 139 A HA -0.269 4.051 4.320 -0.001 0.000 0.218 139 A C 2.165 179.762 177.584 0.022 0.000 1.181 139 A CA 2.245 54.294 52.037 0.019 0.000 0.627 139 A CB -0.336 18.674 19.000 0.017 0.000 0.818 139 A HN 0.579 nan 8.150 nan 0.000 0.445 140 E N -0.695 119.521 120.200 0.027 0.000 2.058 140 E HA -0.306 4.044 4.350 -0.001 0.000 0.194 140 E C 2.197 178.816 176.600 0.031 0.000 0.997 140 E CA 1.738 58.154 56.400 0.027 0.000 0.801 140 E CB -0.099 29.617 29.700 0.027 0.000 0.746 140 E HN 0.718 nan 8.360 nan 0.000 0.450 141 Q N 0.341 120.166 119.800 0.041 0.000 2.050 141 Q HA -0.115 4.225 4.340 -0.001 0.000 0.202 141 Q C 2.209 178.223 176.000 0.024 0.000 0.980 141 Q CA 1.535 57.365 55.803 0.046 0.000 0.840 141 Q CB -0.142 28.643 28.738 0.079 0.000 0.898 141 Q HN 0.390 nan 8.270 nan 0.000 0.424 142 I N 0.303 120.878 120.570 0.010 0.000 2.208 142 I HA -0.318 3.852 4.170 -0.001 0.000 0.245 142 I C 2.222 178.347 176.117 0.013 0.000 1.097 142 I CA 1.037 62.336 61.300 -0.002 0.000 1.363 142 I CB -0.510 37.482 38.000 -0.013 0.000 1.051 142 I HN 0.213 nan 8.210 nan 0.000 0.413 143 A N -0.149 122.681 122.820 0.017 0.000 1.877 143 A HA -0.285 4.035 4.320 -0.001 0.000 0.216 143 A C 2.556 180.153 177.584 0.023 0.000 1.186 143 A CA 1.913 53.962 52.037 0.020 0.000 0.620 143 A CB -1.358 17.654 19.000 0.019 0.000 0.822 143 A HN 0.592 nan 8.150 nan 0.000 0.443 144 C N -0.304 119.011 119.300 0.025 0.000 2.413 144 C HA -0.098 4.362 4.460 -0.001 0.000 0.277 144 C C 2.694 177.702 174.990 0.030 0.000 1.228 144 C CA 1.271 60.305 59.018 0.027 0.000 1.731 144 C CB -1.557 26.201 27.740 0.030 0.000 2.042 144 C HN 0.594 nan 8.230 nan 0.000 0.468 145 L N -0.111 121.131 121.223 0.032 0.000 1.989 145 L HA -0.151 4.189 4.340 -0.001 0.000 0.211 145 L C 2.733 179.627 176.870 0.041 0.000 1.071 145 L CA 2.254 57.117 54.840 0.038 0.000 0.749 145 L CB -1.665 40.416 42.059 0.036 0.000 0.890 145 L HN 0.341 nan 8.230 nan 0.000 0.431 146 T N 0.199 114.777 114.554 0.040 0.000 2.699 146 T HA -0.215 4.134 4.350 -0.001 0.000 0.268 146 T C 1.923 176.644 174.700 0.035 0.000 1.036 146 T CA 1.600 63.728 62.100 0.046 0.000 1.147 146 T CB -0.233 68.662 68.868 0.046 0.000 0.862 146 T HN 0.479 nan 8.240 nan 0.000 0.446 147 A N 0.866 123.703 122.820 0.028 0.000 2.067 147 A HA 0.317 4.637 4.320 -0.001 0.000 0.219 147 A C 2.437 180.033 177.584 0.020 0.000 1.158 147 A CA 1.446 53.495 52.037 0.021 0.000 0.661 147 A CB -0.653 18.358 19.000 0.019 0.000 0.801 147 A HN 0.500 nan 8.150 nan 0.000 0.452 148 A N -1.748 121.086 122.820 0.025 0.000 2.167 148 A HA 0.395 4.714 4.320 -0.001 0.000 0.214 148 A C 1.745 179.343 177.584 0.022 0.000 1.151 148 A CA 1.291 53.343 52.037 0.024 0.000 0.735 148 A CB -0.711 18.307 19.000 0.030 0.000 0.802 148 A HN 1.816 nan 8.150 nan 0.000 0.467 149 G N -1.220 107.594 108.800 0.024 0.000 2.134 149 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.209 149 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.209 149 G C -0.039 174.877 174.900 0.028 0.000 0.993 149 G CA 0.046 45.157 45.100 0.018 0.000 0.669 149 G HN 0.423 nan 8.290 nan 0.000 0.519 150 I N 1.624 122.220 120.570 0.044 0.000 2.312 150 I HA 0.281 4.451 4.170 -0.001 0.000 0.290 150 I C -2.156 174.015 176.117 0.090 0.000 1.008 150 I CA -2.355 58.982 61.300 0.061 0.000 1.226 150 I CB 1.730 39.770 38.000 0.066 0.000 1.371 150 I HN -0.164 nan 8.210 nan 0.000 0.468 151 P HA 0.064 nan 4.420 nan 0.000 0.267 151 P C -0.818 176.695 177.300 0.355 0.000 1.209 151 P CA 0.070 63.299 63.100 0.215 0.000 0.763 151 P CB 0.619 32.321 31.700 0.003 0.000 0.816 152 V N 5.286 125.416 119.914 0.361 0.000 2.448 152 V HA 0.409 4.529 4.120 -0.001 0.000 0.295 152 V C 0.063 176.014 176.094 -0.238 0.000 1.025 152 V CA -0.590 61.773 62.300 0.105 0.000 0.859 152 V CB 1.752 33.582 31.823 0.012 0.000 0.988 152 V HN 0.552 nan 8.190 nan 0.000 0.431 153 M N 4.729 124.139 119.600 -0.316 0.000 2.129 153 M HA 0.717 5.197 4.480 -0.001 0.000 0.348 153 M C 0.180 176.322 176.300 -0.263 0.000 1.116 153 M CA -0.298 54.660 55.300 -0.570 0.000 1.022 153 M CB 1.091 33.471 32.600 -0.367 0.000 1.599 153 M HN 0.820 nan 8.290 nan 0.000 0.449 154 A N 3.904 126.585 122.820 -0.232 0.000 2.259 154 A HA 0.365 4.684 4.320 -0.001 0.000 0.278 154 A C -0.991 176.587 177.584 -0.010 0.000 1.107 154 A CA -0.200 51.778 52.037 -0.099 0.000 0.828 154 A CB 0.345 19.299 19.000 -0.077 0.000 1.111 154 A HN 0.980 nan 8.150 nan 0.000 0.498 155 H N -0.533 118.488 119.070 -0.081 0.000 3.277 155 H HA 0.512 5.068 4.556 -0.001 0.000 0.329 155 H C -1.124 174.190 175.328 -0.024 0.000 1.034 155 H CA -0.716 55.301 56.048 -0.051 0.000 1.530 155 H CB 0.687 30.424 29.762 -0.043 0.000 1.837 155 H HN 0.747 nan 8.280 nan 0.000 0.493 156 I N 1.900 122.610 120.570 0.233 0.000 2.797 156 I HA 0.919 5.088 4.170 -0.001 0.000 0.307 156 I C -0.340 175.862 176.117 0.143 0.000 1.033 156 I CA -0.870 60.502 61.300 0.119 0.000 1.071 156 I CB 2.330 40.374 38.000 0.073 0.000 1.255 156 I HN 0.548 nan 8.210 nan 0.000 0.445 157 G N 2.093 110.943 108.800 0.084 0.000 3.022 157 G HA2 0.651 4.610 3.960 -0.001 0.000 0.284 157 G HA3 0.651 4.610 3.960 -0.001 0.000 0.284 157 G C -2.205 172.782 174.900 0.146 0.000 1.375 157 G CA -0.626 44.535 45.100 0.101 0.000 0.902 157 G HN 0.606 nan 8.290 nan 0.000 0.538 158 F N 1.794 121.736 119.950 -0.014 0.000 2.499 158 F HA 0.597 5.124 4.527 -0.000 0.000 0.333 158 F C 0.052 175.844 175.800 -0.014 0.000 1.138 158 F CA -0.789 57.203 58.000 -0.013 0.000 0.945 158 F CB 2.194 41.186 39.000 -0.015 0.000 1.181 158 F HN 0.466 nan 8.300 nan 0.000 0.435 159 T N 4.715 118.939 114.554 -0.549 0.000 2.991 159 T HA 0.555 4.905 4.350 -0.001 0.000 0.347 159 T C -2.298 172.080 174.700 -0.536 0.000 1.122 159 T CA -1.703 60.162 62.100 -0.392 0.000 1.062 159 T CB 0.552 69.299 68.868 -0.202 0.000 1.043 159 T HN 0.325 nan 8.240 nan 0.000 0.491 176 D N 1.359 121.774 120.400 0.025 0.000 2.221 176 D HA -0.073 4.566 4.640 -0.001 0.000 0.204 176 D C 2.624 178.920 176.300 -0.008 0.000 0.982 176 D CA 1.378 55.383 54.000 0.008 0.000 0.857 176 D CB -0.170 40.621 40.800 -0.015 0.000 0.934 176 D HN 0.384 nan 8.370 nan 0.000 0.475 177 A N 1.656 124.434 122.820 -0.069 0.000 1.873 177 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 177 A C 2.438 180.039 177.584 0.029 0.000 1.193 177 A CA 2.468 54.359 52.037 -0.243 0.000 0.629 177 A CB -0.803 17.724 19.000 -0.789 0.000 0.826 177 A HN 0.269 nan 8.150 nan 0.000 0.447 178 A N -0.420 122.628 122.820 0.379 0.000 1.978 178 A HA -0.190 4.129 4.320 -0.001 0.000 0.220 178 A C 1.884 179.576 177.584 0.181 0.000 1.170 178 A CA 1.761 54.051 52.037 0.421 0.000 0.636 178 A CB -0.533 18.636 19.000 0.283 0.000 0.810 178 A HN 0.701 nan 8.150 nan 0.000 0.448 179 E N -1.058 119.208 120.200 0.109 0.000 2.028 179 E HA -0.249 4.101 4.350 -0.001 0.000 0.191 179 E C 2.258 178.888 176.600 0.050 0.000 0.988 179 E CA 1.354 57.791 56.400 0.062 0.000 0.799 179 E CB -0.189 29.534 29.700 0.038 0.000 0.755 179 E HN 0.645 nan 8.360 nan 0.000 0.447 180 Q N 0.757 120.577 119.800 0.032 0.000 2.061 180 Q HA -0.149 4.191 4.340 -0.001 0.000 0.204 180 Q C 2.094 178.117 176.000 0.038 0.000 0.984 180 Q CA 2.236 58.048 55.803 0.015 0.000 0.846 180 Q CB -0.573 28.150 28.738 -0.024 0.000 0.902 180 Q HN 0.169 nan 8.270 nan 0.000 0.421 181 T N 0.796 115.397 114.554 0.078 0.000 2.665 181 T HA -0.168 4.181 4.350 -0.001 0.000 0.268 181 T C 1.771 176.516 174.700 0.075 0.000 1.035 181 T CA 1.647 63.813 62.100 0.110 0.000 1.151 181 T CB -0.338 68.668 68.868 0.230 0.000 0.862 181 T HN 0.282 nan 8.240 nan 0.000 0.438 182 I N 1.157 121.770 120.570 0.071 0.000 2.179 182 I HA -0.203 3.967 4.170 -0.001 0.000 0.242 182 I C 2.944 179.081 176.117 0.035 0.000 1.088 182 I CA 1.183 62.512 61.300 0.047 0.000 1.357 182 I CB -0.521 37.505 38.000 0.044 0.000 1.051 182 I HN 0.209 nan 8.210 nan 0.000 0.409 183 A N 0.572 123.411 122.820 0.032 0.000 1.908 183 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 183 A C 1.954 179.551 177.584 0.022 0.000 1.181 183 A CA 2.205 54.256 52.037 0.023 0.000 0.627 183 A CB -0.644 18.367 19.000 0.019 0.000 0.818 183 A HN 0.386 nan 8.150 nan 0.000 0.445 184 D N 0.096 120.511 120.400 0.025 0.000 2.097 184 D HA -0.069 4.571 4.640 -0.001 0.000 0.195 184 D C 2.293 178.606 176.300 0.022 0.000 0.989 184 D CA 1.581 55.595 54.000 0.024 0.000 0.827 184 D CB -0.612 40.205 40.800 0.028 0.000 0.966 184 D HN 0.424 nan 8.370 nan 0.000 0.456 185 A N 0.961 123.797 122.820 0.027 0.000 1.908 185 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 185 A C 2.407 180.000 177.584 0.016 0.000 1.181 185 A CA 1.160 53.209 52.037 0.021 0.000 0.627 185 A CB -0.767 18.247 19.000 0.023 0.000 0.818 185 A HN 0.203 nan 8.150 nan 0.000 0.445 186 I N -0.538 120.043 120.570 0.018 0.000 2.133 186 I HA -0.239 3.931 4.170 -0.001 0.000 0.238 186 I C 3.035 179.160 176.117 0.014 0.000 1.074 186 I CA 1.033 62.343 61.300 0.016 0.000 1.342 186 I CB -0.538 37.473 38.000 0.017 0.000 1.053 186 I HN 0.349 nan 8.210 nan 0.000 0.404 187 A N 0.465 123.294 122.820 0.014 0.000 1.892 187 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 187 A C 2.504 180.094 177.584 0.010 0.000 1.188 187 A CA 2.014 54.059 52.037 0.013 0.000 0.631 187 A CB -1.171 17.837 19.000 0.014 0.000 0.822 187 A HN 0.253 nan 8.150 nan 0.000 0.447 188 V N -0.394 119.524 119.914 0.007 0.000 2.287 188 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 188 V C 3.018 179.108 176.094 -0.007 0.000 1.053 188 V CA 2.230 64.528 62.300 -0.003 0.000 1.027 188 V CB -0.905 30.913 31.823 -0.007 0.000 0.646 188 V HN 0.650 nan 8.190 nan 0.000 0.447 189 A N -1.029 121.791 122.820 -0.000 0.000 1.930 189 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 189 A C 2.131 179.723 177.584 0.013 0.000 1.175 189 A CA 1.425 53.464 52.037 0.005 0.000 0.627 189 A CB -0.409 18.598 19.000 0.012 0.000 0.815 189 A HN 0.549 nan 8.150 nan 0.000 0.443 190 E N 0.158 120.366 120.200 0.013 0.000 2.118 190 E HA -0.178 4.172 4.350 -0.001 0.000 0.195 190 E C 2.243 178.853 176.600 0.015 0.000 0.992 190 E CA 1.246 57.655 56.400 0.015 0.000 0.804 190 E CB -0.548 29.161 29.700 0.014 0.000 0.741 190 E HN 0.589 nan 8.360 nan 0.000 0.458 191 A N -0.064 122.763 122.820 0.012 0.000 2.070 191 A HA 0.029 4.349 4.320 -0.001 0.000 0.220 191 A C 1.893 179.488 177.584 0.017 0.000 1.159 191 A CA 1.922 53.967 52.037 0.013 0.000 0.656 191 A CB -0.190 18.815 19.000 0.008 0.000 0.800 191 A HN 0.380 nan 8.150 nan 0.000 0.453 192 G N -2.992 105.819 108.800 0.019 0.000 2.260 192 G HA2 0.243 4.203 3.960 -0.001 0.000 0.179 192 G HA3 0.243 4.203 3.960 -0.001 0.000 0.179 192 G C 0.400 175.326 174.900 0.043 0.000 1.002 192 G CA 0.073 45.194 45.100 0.034 0.000 0.677 192 G HN 1.511 nan 8.290 nan 0.000 0.486 193 A N 0.697 123.518 122.820 0.002 0.000 2.584 193 A HA 0.451 4.771 4.320 -0.001 0.000 0.239 193 A C 1.044 178.611 177.584 -0.028 0.000 1.043 193 A CA 1.044 53.044 52.037 -0.062 0.000 0.756 193 A CB -0.345 18.581 19.000 -0.123 0.000 0.963 193 A HN 1.530 nan 8.150 nan 0.000 0.511 194 F N 1.156 121.116 119.950 0.016 0.000 2.780 194 F HA 0.536 5.063 4.527 -0.001 0.000 0.299 194 F C 0.624 176.449 175.800 0.043 0.000 1.146 194 F CA -0.036 57.974 58.000 0.016 0.000 1.428 194 F CB -0.327 38.669 39.000 -0.007 0.000 1.115 194 F HN 0.772 nan 8.300 nan 0.000 0.583 195 A N -0.281 122.271 122.820 -0.446 0.000 2.544 195 A HA 0.668 4.988 4.320 -0.001 0.000 0.291 195 A C -1.791 175.638 177.584 -0.259 0.000 1.055 195 A CA -0.247 51.655 52.037 -0.225 0.000 0.651 195 A CB 0.987 19.926 19.000 -0.101 0.000 1.296 195 A HN 0.475 nan 8.150 nan 0.000 0.431 196 V N 0.509 120.357 119.914 -0.110 0.000 2.808 196 V HA 0.656 4.775 4.120 -0.001 0.000 0.308 196 V C -1.268 174.774 176.094 -0.086 0.000 1.099 196 V CA -0.488 61.752 62.300 -0.099 0.000 0.920 196 V CB 1.958 33.749 31.823 -0.054 0.000 1.014 196 V HN 1.143 nan 8.190 nan 0.000 0.425 197 V N 7.765 127.610 119.914 -0.115 0.000 2.439 197 V HA 0.488 4.608 4.120 -0.001 0.000 0.282 197 V C 0.197 176.229 176.094 -0.104 0.000 1.039 197 V CA -0.260 61.927 62.300 -0.189 0.000 0.913 197 V CB 1.501 33.060 31.823 -0.441 0.000 0.983 197 V HN 0.868 nan 8.190 nan 0.000 0.460 198 M N 5.126 124.667 119.600 -0.098 0.000 2.044 198 M HA 0.470 4.950 4.480 -0.001 0.000 0.333 198 M C -0.317 175.946 176.300 -0.061 0.000 1.004 198 M CA -0.087 55.192 55.300 -0.035 0.000 0.954 198 M CB 1.349 33.925 32.600 -0.039 0.000 1.468 198 M HN 0.658 nan 8.290 nan 0.000 0.414 199 E N 5.219 125.422 120.200 0.006 0.000 2.158 199 E HA 0.371 4.720 4.350 -0.001 0.000 0.271 199 E C -0.162 176.412 176.600 -0.044 0.000 0.911 199 E CA -0.463 55.912 56.400 -0.041 0.000 0.767 199 E CB 0.847 30.603 29.700 0.094 0.000 1.120 199 E HN 0.723 nan 8.360 nan 0.000 0.405 200 M N 2.059 121.573 119.600 -0.143 0.000 2.297 200 M HA -0.141 4.339 4.480 -0.001 0.000 0.200 200 M C -1.357 174.941 176.300 -0.002 0.000 0.414 200 M CA 0.502 55.747 55.300 -0.092 0.000 0.449 200 M CB -2.485 30.084 32.600 -0.050 0.000 1.436 200 M HN 0.239 nan 8.290 nan 0.000 0.912 201 V N 0.708 120.592 119.914 -0.051 0.000 2.459 201 V HA 0.424 4.544 4.120 -0.001 0.000 0.295 201 V C -1.761 174.218 176.094 -0.191 0.000 1.029 201 V CA -1.517 60.728 62.300 -0.092 0.000 0.874 201 V CB 2.116 33.910 31.823 -0.048 0.000 0.985 201 V HN 0.168 nan 8.190 nan 0.000 0.438 202 P HA -0.008 nan 4.420 nan 0.000 0.256 202 P C 0.809 177.993 177.300 -0.195 0.000 1.173 202 P CA 0.459 63.371 63.100 -0.313 0.000 0.768 202 P CB 0.628 32.026 31.700 -0.504 0.000 0.758 203 A N 5.100 127.844 122.820 -0.126 0.000 1.940 203 A HA -0.297 4.023 4.320 -0.001 0.000 0.221 203 A C 2.047 179.580 177.584 -0.085 0.000 1.190 203 A CA 1.727 53.711 52.037 -0.089 0.000 0.647 203 A CB -0.759 18.204 19.000 -0.062 0.000 0.821 203 A HN 0.477 nan 8.150 nan 0.000 0.457 204 E N -0.716 119.428 120.200 -0.093 0.000 2.023 204 E HA -0.188 4.162 4.350 -0.001 0.000 0.196 204 E C 2.038 178.592 176.600 -0.077 0.000 1.003 204 E CA 1.355 57.710 56.400 -0.076 0.000 0.809 204 E CB -0.771 28.884 29.700 -0.075 0.000 0.755 204 E HN 0.527 nan 8.360 nan 0.000 0.449 205 L N 1.061 122.217 121.223 -0.111 0.000 2.042 205 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 205 L C 2.195 179.025 176.870 -0.067 0.000 1.076 205 L CA 2.171 56.955 54.840 -0.094 0.000 0.749 205 L CB -0.982 40.986 42.059 -0.152 0.000 0.893 205 L HN 0.074 nan 8.230 nan 0.000 0.432 206 A N -1.444 121.326 122.820 -0.083 0.000 1.865 206 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 206 A C 2.245 179.802 177.584 -0.045 0.000 1.191 206 A CA 2.570 54.571 52.037 -0.061 0.000 0.623 206 A CB -1.359 17.597 19.000 -0.074 0.000 0.826 206 A HN 0.522 nan 8.150 nan 0.000 0.444 207 T N 0.313 114.839 114.554 -0.047 0.000 2.624 207 T HA -0.284 4.066 4.350 -0.001 0.000 0.268 207 T C 2.055 176.742 174.700 -0.022 0.000 1.041 207 T CA 2.027 64.106 62.100 -0.034 0.000 1.159 207 T CB -0.438 68.410 68.868 -0.033 0.000 0.863 207 T HN 0.657 nan 8.240 nan 0.000 0.434 208 Q N 0.267 120.054 119.800 -0.022 0.000 2.002 208 Q HA -0.040 4.300 4.340 -0.001 0.000 0.204 208 Q C 2.515 178.512 176.000 -0.004 0.000 0.988 208 Q CA 1.486 57.282 55.803 -0.011 0.000 0.843 208 Q CB -0.466 28.266 28.738 -0.011 0.000 0.908 208 Q HN 0.497 nan 8.270 nan 0.000 0.420 209 I N 0.744 121.310 120.570 -0.006 0.000 2.145 209 I HA -0.357 3.812 4.170 -0.001 0.000 0.244 209 I C 2.282 178.401 176.117 0.003 0.000 1.075 209 I CA 1.483 62.784 61.300 0.002 0.000 1.332 209 I CB -0.701 37.300 38.000 0.001 0.000 1.033 209 I HN 0.313 nan 8.210 nan 0.000 0.410 210 T N 0.422 114.973 114.554 -0.004 0.000 2.684 210 T HA -0.163 4.187 4.350 -0.001 0.000 0.267 210 T C 1.859 176.567 174.700 0.013 0.000 1.036 210 T CA 1.672 63.773 62.100 0.001 0.000 1.148 210 T CB -0.770 68.091 68.868 -0.012 0.000 0.863 210 T HN 0.619 nan 8.240 nan 0.000 0.436 211 G N 0.718 109.524 108.800 0.009 0.000 2.448 211 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.218 211 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.218 211 G C 1.481 176.392 174.900 0.019 0.000 1.135 211 G CA 0.675 45.784 45.100 0.016 0.000 0.784 211 G HN 0.451 nan 8.290 nan 0.000 0.543 212 K N -0.623 119.786 120.400 0.016 0.000 2.296 212 K HA 0.206 4.526 4.320 -0.001 0.000 0.200 212 K C 0.662 177.275 176.600 0.022 0.000 1.048 212 K CA -0.098 56.200 56.287 0.018 0.000 0.966 212 K CB -0.106 32.403 32.500 0.015 0.000 0.754 212 K HN 0.196 nan 8.250 nan 0.000 0.466 213 L N 0.363 121.601 121.223 0.025 0.000 2.379 213 L HA 0.130 4.470 4.340 -0.001 0.000 0.269 213 L C 1.081 177.975 176.870 0.041 0.000 1.084 213 L CA -0.454 54.404 54.840 0.030 0.000 0.802 213 L CB 1.757 43.833 42.059 0.028 0.000 1.175 213 L HN 0.034 nan 8.230 nan 0.000 0.448 214 T N 1.435 116.015 114.554 0.044 0.000 3.014 214 T HA 0.140 4.490 4.350 -0.001 0.000 0.263 214 T C 0.698 175.441 174.700 0.071 0.000 1.078 214 T CA 0.341 62.473 62.100 0.053 0.000 1.135 214 T CB -0.113 68.783 68.868 0.047 0.000 0.895 214 T HN 0.485 nan 8.240 nan 0.000 0.480 215 I N -0.100 120.512 120.570 0.071 0.000 2.612 215 I HA 0.478 4.647 4.170 -0.001 0.000 0.295 215 I C -2.987 173.197 176.117 0.112 0.000 1.011 215 I CA -3.033 58.324 61.300 0.095 0.000 1.326 215 I CB 0.640 38.684 38.000 0.073 0.000 1.427 215 I HN -0.248 nan 8.210 nan 0.000 0.537 216 P HA 0.101 nan 4.420 nan 0.000 0.269 216 P C -0.785 176.597 177.300 0.137 0.000 1.209 216 P CA 0.004 63.241 63.100 0.228 0.000 0.776 216 P CB 0.583 32.555 31.700 0.453 0.000 0.876 217 T N -0.894 113.698 114.554 0.064 0.000 2.779 217 T HA 0.538 4.888 4.350 -0.001 0.000 0.280 217 T C -0.497 174.139 174.700 -0.107 0.000 0.987 217 T CA -0.733 61.357 62.100 -0.017 0.000 0.966 217 T CB 0.493 69.343 68.868 -0.032 0.000 0.933 217 T HN 0.006 nan 8.240 nan 0.000 0.442 218 V N 3.098 122.929 119.914 -0.139 0.000 2.357 218 V HA 0.738 4.858 4.120 -0.001 0.000 0.284 218 V C 0.889 176.856 176.094 -0.212 0.000 1.018 218 V CA -0.584 61.558 62.300 -0.263 0.000 0.841 218 V CB 1.225 32.898 31.823 -0.250 0.000 0.991 218 V HN 1.206 nan 8.190 nan 0.000 0.437 219 G N 3.507 112.178 108.800 -0.215 0.000 2.434 219 G HA2 0.774 4.734 3.960 -0.001 0.000 0.330 219 G HA3 0.774 4.734 3.960 -0.001 0.000 0.330 219 G C -1.095 173.716 174.900 -0.148 0.000 1.155 219 G CA -0.592 44.410 45.100 -0.163 0.000 0.917 219 G HN 0.757 nan 8.290 nan 0.000 0.493 220 I N 0.405 120.889 120.570 -0.143 0.000 2.586 220 I HA 0.479 4.648 4.170 -0.001 0.000 0.281 220 I C 0.550 176.519 176.117 -0.247 0.000 1.145 220 I CA 0.352 61.572 61.300 -0.134 0.000 1.073 220 I CB 0.855 38.766 38.000 -0.149 0.000 1.238 220 I HN 1.202 nan 8.210 nan 0.000 0.461 221 G N 4.796 113.527 108.800 -0.115 0.000 2.225 221 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.264 221 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.264 221 G C 0.456 175.291 174.900 -0.109 0.000 1.060 221 G CA 0.385 45.416 45.100 -0.115 0.000 0.833 221 G HN 1.235 nan 8.290 nan 0.000 0.498 222 A N -0.946 121.824 122.820 -0.083 0.000 2.469 222 A HA 0.775 5.095 4.320 -0.001 0.000 0.245 222 A C 1.765 179.308 177.584 -0.069 0.000 1.221 222 A CA 1.407 53.393 52.037 -0.085 0.000 0.946 222 A CB 0.352 19.296 19.000 -0.094 0.000 1.049 222 A HN 2.607 nan 8.150 nan 0.000 0.529 223 G N 0.012 108.784 108.800 -0.046 0.000 2.592 223 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.684 223 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.684 223 G C -1.882 172.990 174.900 -0.046 0.000 1.291 223 G CA -0.145 44.931 45.100 -0.041 0.000 0.891 223 G HN 0.121 nan 8.290 nan 0.000 0.544 224 P HA 0.077 nan 4.420 nan 0.000 0.240 224 P C 0.336 177.601 177.300 -0.059 0.000 1.190 224 P CA 0.393 63.464 63.100 -0.049 0.000 0.781 224 P CB 0.176 31.856 31.700 -0.035 0.000 0.931 225 N N 0.607 119.274 118.700 -0.055 0.000 3.298 225 N HA 0.142 4.881 4.740 -0.001 0.000 0.292 225 N C -0.574 174.899 175.510 -0.061 0.000 1.271 225 N CA 0.132 53.151 53.050 -0.051 0.000 1.184 225 N CB -0.335 38.129 38.487 -0.038 0.000 1.452 225 N HN 0.153 nan 8.380 nan 0.000 0.534 226 C N -0.724 118.524 119.300 -0.087 0.000 2.698 226 C HA 0.267 4.726 4.460 -0.001 0.000 0.309 226 C C 1.462 176.367 174.990 -0.143 0.000 1.186 226 C CA -1.021 57.931 59.018 -0.110 0.000 1.474 226 C CB 2.345 29.998 27.740 -0.145 0.000 2.020 226 C HN 0.501 nan 8.230 nan 0.000 0.474 227 D N 0.866 121.200 120.400 -0.109 0.000 2.265 227 D HA 0.037 4.677 4.640 -0.001 0.000 0.208 227 D C 0.878 176.947 176.300 -0.385 0.000 0.977 227 D CA 1.479 55.428 54.000 -0.085 0.000 0.871 227 D CB 0.304 41.167 40.800 0.105 0.000 0.925 227 D HN 0.844 nan 8.370 nan 0.000 0.485 228 G N -0.736 107.693 108.800 -0.618 0.000 2.660 228 G HA2 0.422 4.382 3.960 -0.001 0.000 0.290 228 G HA3 0.422 4.382 3.960 -0.001 0.000 0.290 228 G C -1.468 173.029 174.900 -0.672 0.000 1.432 228 G CA -0.581 43.866 45.100 -1.088 0.000 0.807 228 G HN -0.229 nan 8.290 nan 0.000 0.485 229 Q N -0.855 118.595 119.800 -0.583 0.000 2.413 229 Q HA 0.727 5.067 4.340 -0.001 0.000 0.276 229 Q C -1.261 174.576 176.000 -0.272 0.000 1.099 229 Q CA -0.959 54.644 55.803 -0.333 0.000 0.814 229 Q CB 2.843 31.449 28.738 -0.220 0.000 1.379 229 Q HN 0.695 nan 8.270 nan 0.000 0.436 230 V N 2.668 122.481 119.914 -0.168 0.000 2.808 230 V HA 0.656 4.776 4.120 -0.001 0.000 0.308 230 V C -1.661 174.417 176.094 -0.026 0.000 1.099 230 V CA -0.472 61.768 62.300 -0.100 0.000 0.920 230 V CB 1.931 33.698 31.823 -0.093 0.000 1.014 230 V HN 0.662 nan 8.190 nan 0.000 0.425 231 L N 5.351 126.575 121.223 0.003 0.000 2.424 231 L HA 0.602 4.942 4.340 -0.001 0.000 0.258 231 L C -0.757 176.175 176.870 0.102 0.000 0.995 231 L CA -1.123 53.762 54.840 0.075 0.000 0.821 231 L CB 2.500 44.599 42.059 0.067 0.000 1.383 231 L HN 0.394 nan 8.230 nan 0.000 0.410 232 V N 2.553 122.555 119.914 0.147 0.000 2.439 232 V HA -0.054 4.066 4.120 -0.001 0.000 0.271 232 V C 0.999 177.193 176.094 0.166 0.000 1.040 232 V CA -0.024 62.376 62.300 0.167 0.000 1.002 232 V CB 0.719 32.631 31.823 0.149 0.000 1.000 232 V HN 0.957 nan 8.190 nan 0.000 0.477 233 W N 5.070 126.446 121.300 0.125 0.000 2.313 233 W HA -0.236 4.424 4.660 -0.001 0.000 0.293 233 W C 1.261 177.880 176.519 0.166 0.000 1.216 233 W CA 1.234 58.663 57.345 0.139 0.000 1.223 233 W CB -0.435 29.218 29.460 0.323 0.000 1.138 233 W HN 0.653 nan 8.180 nan 0.000 0.535 234 Q N 1.190 120.666 119.800 -0.540 0.000 2.096 234 Q HA -0.177 4.162 4.340 -0.001 0.000 0.204 234 Q C 1.651 177.604 176.000 -0.078 0.000 0.982 234 Q CA 2.022 57.475 55.803 -0.583 0.000 0.850 234 Q CB -0.911 27.532 28.738 -0.493 0.000 0.901 234 Q HN 0.447 nan 8.270 nan 0.000 0.422 235 D N 0.415 120.812 120.400 -0.006 0.000 2.120 235 D HA -0.077 4.562 4.640 -0.001 0.000 0.202 235 D C 1.880 178.245 176.300 0.110 0.000 0.972 235 D CA 0.502 54.527 54.000 0.041 0.000 0.837 235 D CB -0.238 40.577 40.800 0.026 0.000 0.989 235 D HN 0.095 nan 8.370 nan 0.000 0.469 236 M N 1.112 120.804 119.600 0.154 0.000 2.144 236 M HA -0.129 4.351 4.480 -0.001 0.000 0.260 236 M C 1.212 177.669 176.300 0.263 0.000 1.067 236 M CA 1.472 56.892 55.300 0.200 0.000 1.095 236 M CB -0.294 32.381 32.600 0.124 0.000 1.365 236 M HN -0.047 nan 8.290 nan 0.000 0.406 237 A N -0.784 122.221 122.820 0.307 0.000 2.535 237 A HA 0.484 4.804 4.320 -0.001 0.000 0.273 237 A C 1.066 178.832 177.584 0.303 0.000 1.267 237 A CA 0.426 52.669 52.037 0.344 0.000 0.940 237 A CB -0.822 18.471 19.000 0.488 0.000 1.101 237 A HN 0.743 nan 8.150 nan 0.000 0.521 238 G N -0.896 108.031 108.800 0.211 0.000 2.363 238 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.286 238 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.286 238 G C 0.090 175.105 174.900 0.192 0.000 0.975 238 G CA 0.581 45.769 45.100 0.146 0.000 1.309 238 G HN 0.754 nan 8.290 nan 0.000 0.491 239 F N 0.620 120.561 119.950 -0.016 0.000 2.746 239 F HA 0.374 4.901 4.527 -0.001 0.000 0.313 239 F C 1.191 176.931 175.800 -0.100 0.000 1.095 239 F CA 0.533 58.504 58.000 -0.048 0.000 1.224 239 F CB 0.785 39.698 39.000 -0.144 0.000 1.060 239 F HN 0.523 nan 8.300 nan 0.000 0.584 240 S N 0.003 115.705 115.700 0.003 0.000 2.561 240 S HA 0.690 5.159 4.470 -0.001 0.000 0.303 240 S C 0.363 174.933 174.600 -0.051 0.000 1.110 240 S CA -0.338 57.832 58.200 -0.050 0.000 1.034 240 S CB 1.183 64.356 63.200 -0.044 0.000 1.010 240 S HN 0.706 nan 8.310 nan 0.000 0.482 241 G N 2.263 111.024 108.800 -0.065 0.000 2.581 241 G HA2 0.094 4.054 3.960 -0.001 0.000 0.289 241 G HA3 0.094 4.054 3.960 -0.001 0.000 0.289 241 G C 0.590 175.464 174.900 -0.044 0.000 1.303 241 G CA 0.375 45.444 45.100 -0.051 0.000 0.931 241 G HN 2.072 nan 8.290 nan 0.000 0.555 242 A N -1.302 121.495 122.820 -0.037 0.000 2.653 242 A HA 0.536 4.855 4.320 -0.001 0.000 0.248 242 A C 1.016 178.578 177.584 -0.036 0.000 1.211 242 A CA 1.279 53.296 52.037 -0.033 0.000 0.991 242 A CB 0.298 19.279 19.000 -0.031 0.000 1.252 242 A HN 0.828 nan 8.150 nan 0.000 0.593 243 K N 2.127 122.504 120.400 -0.039 0.000 2.111 243 K HA 0.177 4.497 4.320 -0.001 0.000 0.249 243 K C -0.293 176.264 176.600 -0.072 0.000 1.157 243 K CA 0.124 56.382 56.287 -0.048 0.000 1.048 243 K CB -0.310 32.167 32.500 -0.037 0.000 1.498 243 K HN 0.159 nan 8.250 nan 0.000 0.344 244 T N 2.529 117.033 114.554 -0.084 0.000 2.727 244 T HA 0.330 4.680 4.350 -0.001 0.000 0.295 244 T C 0.331 174.920 174.700 -0.184 0.000 0.915 244 T CA -0.539 61.483 62.100 -0.131 0.000 1.066 244 T CB 0.410 69.217 68.868 -0.102 0.000 0.891 244 T HN 0.577 nan 8.240 nan 0.000 0.516 245 A N 5.480 128.121 122.820 -0.297 0.000 2.387 245 A HA 0.331 4.651 4.320 -0.001 0.000 0.251 245 A C 1.692 179.061 177.584 -0.359 0.000 1.113 245 A CA -0.172 51.664 52.037 -0.336 0.000 0.794 245 A CB 0.171 18.880 19.000 -0.484 0.000 1.069 245 A HN 1.018 nan 8.150 nan 0.000 0.506 246 R N -0.566 119.813 120.500 -0.201 0.000 2.083 246 R HA -0.187 4.153 4.340 -0.001 0.000 0.237 246 R C 1.592 177.843 176.300 -0.081 0.000 1.137 246 R CA 2.167 58.214 56.100 -0.088 0.000 0.951 246 R CB -0.637 29.682 30.300 0.031 0.000 0.851 246 R HN 0.874 nan 8.270 nan 0.000 0.434 247 F N -0.438 119.516 119.950 0.007 0.000 2.771 247 F HA 0.166 4.693 4.527 -0.001 0.000 0.299 247 F C 0.318 176.129 175.800 0.019 0.000 1.177 247 F CA -0.263 57.742 58.000 0.007 0.000 1.450 247 F CB -0.104 38.899 39.000 0.006 0.000 1.114 247 F HN -0.325 nan 8.300 nan 0.000 0.587 248 V N 1.927 121.609 119.914 -0.387 0.000 2.435 248 V HA 0.277 4.397 4.120 -0.001 0.000 0.290 248 V C -0.223 175.825 176.094 -0.077 0.000 1.030 248 V CA -1.205 60.981 62.300 -0.190 0.000 0.881 248 V CB 1.641 33.274 31.823 -0.318 0.000 0.983 248 V HN 0.194 nan 8.190 nan 0.000 0.445 249 K N 4.302 124.728 120.400 0.043 0.000 2.265 249 K HA 0.475 4.795 4.320 -0.001 0.000 0.267 249 K C -0.139 176.496 176.600 0.058 0.000 0.994 249 K CA -0.747 55.536 56.287 -0.006 0.000 0.860 249 K CB 0.995 33.463 32.500 -0.052 0.000 1.099 249 K HN 0.600 nan 8.250 nan 0.000 0.448 250 R N 4.041 124.524 120.500 -0.027 0.000 2.351 250 R HA 0.060 4.399 4.340 -0.001 0.000 0.321 250 R C -0.307 175.999 176.300 0.010 0.000 1.182 250 R CA 0.046 56.169 56.100 0.040 0.000 1.011 250 R CB 0.123 30.424 30.300 0.001 0.000 1.048 250 R HN 0.659 nan 8.270 nan 0.000 0.490 251 Y N 2.302 122.621 120.300 0.032 0.000 2.578 251 Y HA 0.183 4.732 4.550 -0.000 0.000 0.297 251 Y C 0.817 176.746 175.900 0.049 0.000 1.176 251 Y CA 0.801 58.921 58.100 0.034 0.000 1.315 251 Y CB 0.507 38.986 38.460 0.032 0.000 1.031 251 Y HN 0.665 nan 8.280 nan 0.000 0.524 252 A N -0.881 122.047 122.820 0.180 0.000 2.361 252 A HA 0.415 4.735 4.320 -0.001 0.000 0.297 252 A C -1.657 176.006 177.584 0.131 0.000 1.036 252 A CA -0.532 51.591 52.037 0.143 0.000 0.589 252 A CB 0.108 19.211 19.000 0.171 0.000 1.418 252 A HN -0.066 nan 8.150 nan 0.000 0.539 253 D N 0.031 120.502 120.400 0.118 0.000 2.886 253 D HA 0.421 5.061 4.640 -0.001 0.000 0.355 253 D C 0.826 177.208 176.300 0.136 0.000 1.274 253 D CA 0.169 54.231 54.000 0.104 0.000 0.836 253 D CB 0.375 41.209 40.800 0.057 0.000 1.109 253 D HN 0.230 nan 8.370 nan 0.000 0.488 254 V N 0.747 120.796 119.914 0.225 0.000 2.490 254 V HA -0.063 4.056 4.120 -0.001 0.000 0.250 254 V C 2.466 178.737 176.094 0.295 0.000 1.061 254 V CA 2.136 64.615 62.300 0.299 0.000 1.064 254 V CB -0.525 31.562 31.823 0.440 0.000 0.670 254 V HN 0.534 nan 8.190 nan 0.000 0.461 255 G N 0.332 109.252 108.800 0.199 0.000 2.433 255 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.216 255 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.216 255 G C 1.661 176.498 174.900 -0.105 0.000 1.186 255 G CA 0.881 45.878 45.100 -0.172 0.000 0.779 255 G HN 0.558 nan 8.290 nan 0.000 0.543 256 G N 0.334 109.115 108.800 -0.033 0.000 2.440 256 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.218 256 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.218 256 G C 1.636 176.536 174.900 -0.000 0.000 1.154 256 G CA 1.168 46.255 45.100 -0.023 0.000 0.767 256 G HN 0.360 nan 8.290 nan 0.000 0.552 257 E N -0.107 120.114 120.200 0.035 0.000 2.118 257 E HA -0.116 4.234 4.350 -0.001 0.000 0.195 257 E C 2.471 179.093 176.600 0.037 0.000 0.992 257 E CA 0.726 57.153 56.400 0.044 0.000 0.804 257 E CB -0.236 29.508 29.700 0.073 0.000 0.741 257 E HN 0.381 nan 8.360 nan 0.000 0.458 258 L N 0.930 122.176 121.223 0.039 0.000 2.156 258 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 258 L C 2.208 179.072 176.870 -0.010 0.000 1.095 258 L CA 1.340 56.197 54.840 0.028 0.000 0.770 258 L CB -0.192 41.896 42.059 0.048 0.000 0.914 258 L HN -0.057 nan 8.230 nan 0.000 0.439 259 R N -0.555 119.925 120.500 -0.032 0.000 2.073 259 R HA -0.121 4.218 4.340 -0.001 0.000 0.234 259 R C 2.276 178.573 176.300 -0.005 0.000 1.134 259 R CA 1.665 57.747 56.100 -0.030 0.000 0.952 259 R CB -0.392 29.883 30.300 -0.043 0.000 0.850 259 R HN 0.409 nan 8.270 nan 0.000 0.433 260 R N 0.817 121.318 120.500 0.001 0.000 2.066 260 R HA 0.008 4.348 4.340 -0.001 0.000 0.232 260 R C 2.274 178.586 176.300 0.019 0.000 1.131 260 R CA 1.436 57.542 56.100 0.010 0.000 0.955 260 R CB -1.098 29.208 30.300 0.010 0.000 0.851 260 R HN 0.187 nan 8.270 nan 0.000 0.432 261 A N 2.125 124.954 122.820 0.014 0.000 1.915 261 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 261 A C 2.587 180.191 177.584 0.034 0.000 1.198 261 A CA 2.647 54.690 52.037 0.009 0.000 0.647 261 A CB -0.813 18.182 19.000 -0.008 0.000 0.825 261 A HN 0.516 nan 8.150 nan 0.000 0.456 262 A N -1.004 121.839 122.820 0.038 0.000 1.872 262 A HA -0.038 4.282 4.320 -0.001 0.000 0.214 262 A C 2.285 179.944 177.584 0.124 0.000 1.187 262 A CA 1.710 53.801 52.037 0.091 0.000 0.614 262 A CB -0.527 18.505 19.000 0.052 0.000 0.826 262 A HN 0.529 nan 8.150 nan 0.000 0.442 263 M N -1.071 118.564 119.600 0.060 0.000 2.108 263 M HA -0.213 4.267 4.480 -0.001 0.000 0.261 263 M C 2.538 178.859 176.300 0.034 0.000 1.066 263 M CA 1.693 57.016 55.300 0.038 0.000 1.107 263 M CB -0.475 32.136 32.600 0.017 0.000 1.356 263 M HN 0.523 nan 8.290 nan 0.000 0.406 264 Q N -0.408 119.417 119.800 0.043 0.000 2.079 264 Q HA -0.213 4.127 4.340 -0.001 0.000 0.200 264 Q C 2.053 178.078 176.000 0.041 0.000 0.974 264 Q CA 1.741 57.564 55.803 0.033 0.000 0.840 264 Q CB -0.268 28.488 28.738 0.030 0.000 0.898 264 Q HN 0.556 nan 8.270 nan 0.000 0.430 265 Y N 0.744 121.002 120.300 -0.070 0.000 2.114 265 Y HA -0.299 4.250 4.550 -0.001 0.000 0.282 265 Y C 2.029 177.906 175.900 -0.037 0.000 1.165 265 Y CA 1.820 59.852 58.100 -0.113 0.000 1.148 265 Y CB -0.717 37.654 38.460 -0.148 0.000 0.972 265 Y HN 0.133 nan 8.280 nan 0.000 0.504 266 A N 0.217 122.920 122.820 -0.194 0.000 1.883 266 A HA -0.308 4.012 4.320 -0.001 0.000 0.217 266 A C 2.312 179.791 177.584 -0.174 0.000 1.186 266 A CA 2.103 53.987 52.037 -0.255 0.000 0.624 266 A CB -1.106 17.852 19.000 -0.069 0.000 0.822 266 A HN 0.690 nan 8.150 nan 0.000 0.444 267 Q N -0.570 119.179 119.800 -0.085 0.000 2.084 267 Q HA -0.196 4.143 4.340 -0.001 0.000 0.202 267 Q C 1.967 177.943 176.000 -0.040 0.000 0.978 267 Q CA 1.725 57.499 55.803 -0.048 0.000 0.844 267 Q CB -0.136 28.591 28.738 -0.018 0.000 0.898 267 Q HN 0.777 nan 8.270 nan 0.000 0.426 268 E N -0.667 119.513 120.200 -0.033 0.000 2.153 268 E HA -0.163 4.186 4.350 -0.001 0.000 0.194 268 E C 2.027 178.645 176.600 0.030 0.000 0.988 268 E CA 1.263 57.678 56.400 0.026 0.000 0.811 268 E CB 0.112 29.860 29.700 0.081 0.000 0.746 268 E HN 0.227 nan 8.360 nan 0.000 0.466 269 V N 1.475 121.350 119.914 -0.065 0.000 2.307 269 V HA -0.257 3.862 4.120 -0.001 0.000 0.245 269 V C 2.384 178.447 176.094 -0.051 0.000 1.045 269 V CA 1.894 64.154 62.300 -0.067 0.000 1.024 269 V CB -0.685 30.988 31.823 -0.249 0.000 0.651 269 V HN 0.297 nan 8.190 nan 0.000 0.449 270 A N 0.394 123.175 122.820 -0.065 0.000 1.933 270 A HA -0.054 4.265 4.320 -0.001 0.000 0.218 270 A C 2.184 179.757 177.584 -0.020 0.000 1.175 270 A CA 1.745 53.758 52.037 -0.040 0.000 0.628 270 A CB -0.906 18.070 19.000 -0.040 0.000 0.814 270 A HN 0.576 nan 8.150 nan 0.000 0.444 271 G N -1.973 106.821 108.800 -0.010 0.000 3.088 271 G HA2 0.362 4.321 3.960 -0.001 0.000 0.212 271 G HA3 0.362 4.321 3.960 -0.001 0.000 0.212 271 G C 1.188 176.094 174.900 0.011 0.000 1.173 271 G CA 0.491 45.593 45.100 0.003 0.000 0.779 271 G HN 1.536 nan 8.290 nan 0.000 0.540 272 G N -0.412 108.392 108.800 0.006 0.000 2.205 272 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.269 272 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.269 272 G C 1.530 176.445 174.900 0.025 0.000 0.977 272 G CA 1.272 46.374 45.100 0.003 0.000 0.652 272 G HN 1.327 nan 8.290 nan 0.000 0.539 273 V N -2.017 117.932 119.914 0.058 0.000 2.667 273 V HA 0.515 4.634 4.120 -0.001 0.000 0.252 273 V C 1.014 177.211 176.094 0.172 0.000 1.065 273 V CA 1.882 64.240 62.300 0.097 0.000 1.083 273 V CB -0.147 31.735 31.823 0.099 0.000 0.692 273 V HN 0.857 nan 8.190 nan 0.000 0.468 274 F N 2.871 122.834 119.950 0.023 0.000 2.540 274 F HA 0.848 5.375 4.527 -0.000 0.000 0.317 274 F C -2.683 173.123 175.800 0.011 0.000 1.104 274 F CA -2.963 55.058 58.000 0.035 0.000 0.913 274 F CB 2.023 41.031 39.000 0.012 0.000 1.170 274 F HN -0.040 nan 8.300 nan 0.000 0.450 275 P HA 0.393 nan 4.420 nan 0.000 0.276 275 P C -1.111 176.066 177.300 -0.206 0.000 1.244 275 P CA -0.225 62.138 63.100 -1.228 0.000 0.801 275 P CB 1.631 32.652 31.700 -1.131 0.000 1.006 276 A N 1.759 124.724 122.820 0.241 0.000 3.033 276 A HA 0.252 4.572 4.320 -0.001 0.000 0.223 276 A C 0.938 178.523 177.584 0.003 0.000 1.797 276 A CA 0.276 52.386 52.037 0.123 0.000 0.856 276 A CB -0.762 18.312 19.000 0.122 0.000 1.798 276 A HN 0.456 nan 8.150 nan 0.000 0.629 277 D N -1.010 119.350 120.400 -0.067 0.000 2.277 277 D HA 0.021 4.660 4.640 -0.001 0.000 0.209 277 D C 1.707 177.931 176.300 -0.127 0.000 0.970 277 D CA 1.120 55.077 54.000 -0.073 0.000 0.874 277 D CB -0.102 40.667 40.800 -0.052 0.000 0.982 277 D HN 0.745 nan 8.370 nan 0.000 0.504 278 E N 0.206 120.251 120.200 -0.259 0.000 2.396 278 E HA -0.155 4.195 4.350 -0.001 0.000 0.200 278 E C 0.315 176.733 176.600 -0.304 0.000 1.023 278 E CA 0.836 57.053 56.400 -0.304 0.000 0.857 278 E CB -0.171 29.293 29.700 -0.395 0.000 0.775 278 E HN 0.391 nan 8.360 nan 0.000 0.525 279 H N 0.000 119.079 119.070 0.014 0.000 2.539 279 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 279 H CA 0.000 56.051 56.048 0.006 0.000 1.023 279 H CB 0.000 29.747 29.762 -0.025 0.000 1.292 279 H HN 0.000 nan 8.280 nan 0.000 0.496