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 2br3_1_B DATA FIRST_RESID 3 DATA SEQUENCE DYSRQNFLDL NLFRGLGEDP AYHPPVLTDR PRDWPLDRWA EAPRDLGYSD DATA SEQUENCE FSPYQWRGLR MLKDPDTQAV YHDMLWELRP RTIVELGVYN GGSLAWFRDL DATA SEQUENCE TKIMGIDCQV IGIDRDLSRC QIPASDMENI TLHQGDCSDL TTFEHLREMA DATA SEQUENCE HPLIFIDDAH ANTFNIMKWA VDHLLEEGDY FIIEDMIPYW YRYAPQLFSE DATA SEQUENCE YLGAFRDVLS MDMLYANASS QLDRGVLRRV AA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.363 176.300 0.105 0.000 2.045 3 D CA 0.000 54.058 54.000 0.096 0.000 0.868 3 D CB 0.000 40.814 40.800 0.023 0.000 0.688 4 Y N 0.234 120.596 120.300 0.103 0.000 2.395 4 Y HA 0.080 4.630 4.550 0.001 0.000 0.293 4 Y C 1.661 177.621 175.900 0.101 0.000 1.123 4 Y CA 1.257 59.473 58.100 0.193 0.000 1.227 4 Y CB -0.375 38.217 38.460 0.220 0.000 1.012 4 Y HN 0.189 nan 8.280 nan 0.000 0.552 5 S N -0.252 114.925 115.700 -0.871 0.000 2.555 5 S HA 0.024 4.494 4.470 0.001 0.000 0.230 5 S C 1.589 176.004 174.600 -0.310 0.000 0.978 5 S CA 0.223 58.004 58.200 -0.698 0.000 0.934 5 S CB -0.128 62.650 63.200 -0.704 0.000 0.766 5 S HN 0.382 nan 8.310 nan 0.000 0.533 6 R N 1.110 121.462 120.500 -0.246 0.000 2.102 6 R HA 0.322 4.662 4.340 0.001 0.000 0.208 6 R C 0.736 176.899 176.300 -0.228 0.000 1.131 6 R CA 0.394 56.382 56.100 -0.187 0.000 1.054 6 R CB -0.847 29.369 30.300 -0.139 0.000 0.954 6 R HN 0.533 nan 8.270 nan 0.000 0.465 7 Q N 1.595 121.202 119.800 -0.323 0.000 2.395 7 Q HA 0.040 4.380 4.340 0.001 0.000 0.271 7 Q C -0.272 175.369 176.000 -0.599 0.000 1.026 7 Q CA 0.081 55.605 55.803 -0.464 0.000 0.900 7 Q CB 0.389 28.763 28.738 -0.607 0.000 1.266 7 Q HN 0.026 nan 8.270 nan 0.000 0.430 8 N N 0.971 119.432 118.700 -0.398 0.000 2.434 8 N HA 0.222 4.962 4.740 0.001 0.000 0.272 8 N C -1.601 173.743 175.510 -0.278 0.000 1.040 8 N CA -0.227 52.649 53.050 -0.290 0.000 0.956 8 N CB 0.523 38.942 38.487 -0.113 0.000 1.108 8 N HN 0.299 nan 8.380 nan 0.000 0.481 9 F N 3.427 123.403 119.950 0.044 0.000 2.410 9 F HA 0.345 4.872 4.527 0.001 0.000 0.349 9 F C 0.238 176.072 175.800 0.056 0.000 1.117 9 F CA -1.032 57.000 58.000 0.054 0.000 1.104 9 F CB 0.826 39.860 39.000 0.056 0.000 1.122 9 F HN 0.213 nan 8.300 nan 0.000 0.483 10 L N 2.837 124.224 121.223 0.274 0.000 2.439 10 L HA 0.108 4.449 4.340 0.001 0.000 0.269 10 L C 0.308 177.281 176.870 0.172 0.000 1.179 10 L CA -0.112 54.843 54.840 0.191 0.000 0.828 10 L CB 0.193 42.388 42.059 0.227 0.000 1.106 10 L HN 0.493 nan 8.230 nan 0.000 0.467 11 D N 1.594 122.044 120.400 0.082 0.000 2.371 11 D HA 0.061 4.701 4.640 0.001 0.000 0.256 11 D C 0.660 176.979 176.300 0.033 0.000 1.193 11 D CA -0.176 53.849 54.000 0.042 0.000 0.881 11 D CB 1.280 42.075 40.800 -0.008 0.000 1.143 11 D HN 0.240 nan 8.370 nan 0.000 0.473 12 L N 4.156 125.445 121.223 0.111 0.000 2.376 12 L HA -0.056 4.284 4.340 0.001 0.000 0.219 12 L C 1.932 178.871 176.870 0.116 0.000 1.133 12 L CA 0.664 55.650 54.840 0.243 0.000 0.816 12 L CB -0.769 41.406 42.059 0.193 0.000 0.933 12 L HN 0.431 nan 8.230 nan 0.000 0.449 13 N N -0.467 118.231 118.700 -0.003 0.000 2.348 13 N HA -0.174 4.567 4.740 0.001 0.000 0.185 13 N C 1.826 177.260 175.510 -0.127 0.000 1.019 13 N CA 0.750 53.774 53.050 -0.043 0.000 0.880 13 N CB -0.144 38.319 38.487 -0.040 0.000 0.965 13 N HN 0.220 nan 8.380 nan 0.000 0.437 14 L N -0.057 120.982 121.223 -0.306 0.000 2.079 14 L HA -0.101 4.240 4.340 0.001 0.000 0.210 14 L C 0.968 177.551 176.870 -0.478 0.000 1.081 14 L CA 1.489 56.026 54.840 -0.506 0.000 0.752 14 L CB -0.452 41.088 42.059 -0.865 0.000 0.896 14 L HN 0.093 nan 8.230 nan 0.000 0.433 15 F N -1.399 118.565 119.950 0.023 0.000 2.660 15 F HA 0.217 4.745 4.527 0.001 0.000 0.297 15 F C 0.958 176.740 175.800 -0.030 0.000 1.132 15 F CA -0.675 57.336 58.000 0.018 0.000 1.372 15 F CB -0.326 38.690 39.000 0.027 0.000 1.003 15 F HN -0.263 nan 8.300 nan 0.000 0.524 16 R N 0.957 121.488 120.500 0.053 0.000 2.449 16 R HA 0.176 4.516 4.340 0.001 0.000 0.296 16 R C 1.240 177.541 176.300 0.001 0.000 1.047 16 R CA 0.611 56.712 56.100 0.001 0.000 1.018 16 R CB 0.264 30.550 30.300 -0.023 0.000 0.962 16 R HN 0.561 nan 8.270 nan 0.000 0.428 17 G N 2.732 111.523 108.800 -0.014 0.000 2.175 17 G HA2 -0.281 3.680 3.960 0.001 0.000 0.265 17 G HA3 -0.281 3.680 3.960 0.001 0.000 0.265 17 G C 0.581 175.615 174.900 0.224 0.000 0.979 17 G CA 0.672 45.830 45.100 0.096 0.000 0.663 17 G HN 0.570 nan 8.290 nan 0.000 0.533 18 L N -1.214 120.117 121.223 0.180 0.000 2.641 18 L HA 0.565 4.906 4.340 0.001 0.000 0.207 18 L C 1.503 178.547 176.870 0.290 0.000 1.049 18 L CA 0.586 55.422 54.840 -0.008 0.000 0.866 18 L CB 0.144 42.027 42.059 -0.294 0.000 1.264 18 L HN 1.208 nan 8.230 nan 0.000 0.483 19 G N 0.743 109.770 108.800 0.377 0.000 2.603 19 G HA2 -0.167 3.793 3.960 0.001 0.000 0.686 19 G HA3 -0.167 3.793 3.960 0.001 0.000 0.686 19 G C -0.117 174.933 174.900 0.251 0.000 1.286 19 G CA -0.215 45.107 45.100 0.370 0.000 0.871 19 G HN 0.219 nan 8.290 nan 0.000 0.568 20 E N -0.405 119.805 120.200 0.017 0.000 2.371 20 E HA 0.120 4.470 4.350 0.001 0.000 0.194 20 E C 0.176 176.828 176.600 0.087 0.000 1.012 20 E CA 0.863 57.114 56.400 -0.250 0.000 0.860 20 E CB 0.404 29.858 29.700 -0.410 0.000 0.811 20 E HN 0.401 nan 8.360 nan 0.000 0.502 21 D N -0.518 120.000 120.400 0.197 0.000 2.763 21 D HA 0.085 4.726 4.640 0.001 0.000 0.235 21 D C -2.088 174.340 176.300 0.214 0.000 1.334 21 D CA -2.122 51.994 54.000 0.193 0.000 0.950 21 D CB 1.751 42.639 40.800 0.146 0.000 1.433 21 D HN -0.270 nan 8.370 nan 0.000 0.580 22 P HA 0.060 nan 4.420 nan 0.000 0.223 22 P C 0.328 177.600 177.300 -0.048 0.000 1.151 22 P CA 0.201 63.224 63.100 -0.128 0.000 0.787 22 P CB 0.166 31.602 31.700 -0.439 0.000 0.788 23 A N 0.050 122.863 122.820 -0.011 0.000 2.425 23 A HA 0.150 4.470 4.320 0.001 0.000 0.249 23 A C -0.457 177.071 177.584 -0.092 0.000 1.084 23 A CA -0.262 51.736 52.037 -0.066 0.000 0.781 23 A CB -0.542 18.398 19.000 -0.100 0.000 1.019 23 A HN 0.150 nan 8.150 nan 0.000 0.490 24 Y N 1.605 121.751 120.300 -0.257 0.000 2.319 24 Y HA 0.482 5.033 4.550 0.001 0.000 0.328 24 Y C -0.177 175.441 175.900 -0.469 0.000 1.133 24 Y CA 0.287 58.248 58.100 -0.232 0.000 1.265 24 Y CB 0.586 38.964 38.460 -0.136 0.000 1.218 24 Y HN 0.752 nan 8.280 nan 0.000 0.508 25 H N 5.775 124.345 119.070 -0.834 0.000 2.759 25 H HA 0.348 4.904 4.556 0.001 0.000 0.354 25 H C -2.416 172.295 175.328 -1.029 0.000 1.074 25 H CA -1.989 53.622 56.048 -0.729 0.000 1.226 25 H CB 1.398 30.955 29.762 -0.341 0.000 1.648 25 H HN 0.535 nan 8.280 nan 0.000 0.529 26 P HA 0.077 nan 4.420 nan 0.000 0.269 26 P C -2.471 174.630 177.300 -0.332 0.000 1.215 26 P CA -1.199 61.635 63.100 -0.443 0.000 0.780 26 P CB 0.143 31.751 31.700 -0.154 0.000 0.898 27 P HA 0.129 nan 4.420 nan 0.000 0.269 27 P C -0.764 176.367 177.300 -0.282 0.000 1.215 27 P CA 0.085 62.915 63.100 -0.450 0.000 0.780 27 P CB 0.330 31.384 31.700 -1.077 0.000 0.898 28 V N 3.099 122.908 119.914 -0.175 0.000 2.588 28 V HA 0.233 4.354 4.120 0.001 0.000 0.304 28 V C -0.100 175.990 176.094 -0.007 0.000 1.042 28 V CA -0.998 61.254 62.300 -0.080 0.000 0.877 28 V CB 1.747 33.531 31.823 -0.066 0.000 0.996 28 V HN 0.332 nan 8.190 nan 0.000 0.425 29 L N 4.138 125.378 121.223 0.029 0.000 2.416 29 L HA 0.295 4.635 4.340 0.001 0.000 0.272 29 L C 1.486 178.385 176.870 0.049 0.000 1.161 29 L CA 0.808 55.692 54.840 0.073 0.000 0.845 29 L CB 0.799 42.910 42.059 0.086 0.000 1.119 29 L HN 1.018 nan 8.230 nan 0.000 0.464 30 T N -2.290 112.296 114.554 0.053 0.000 3.046 30 T HA -0.003 4.348 4.350 0.001 0.000 0.242 30 T C 0.777 175.501 174.700 0.040 0.000 1.018 30 T CA 0.389 62.510 62.100 0.036 0.000 1.131 30 T CB 0.167 69.052 68.868 0.029 0.000 0.904 30 T HN 0.591 nan 8.240 nan 0.000 0.459 31 D N 1.562 121.992 120.400 0.050 0.000 2.462 31 D HA 0.176 4.817 4.640 0.001 0.000 0.221 31 D C 0.198 176.552 176.300 0.090 0.000 1.173 31 D CA -0.525 53.507 54.000 0.054 0.000 0.831 31 D CB 0.285 41.108 40.800 0.038 0.000 1.001 31 D HN 0.509 nan 8.370 nan 0.000 0.499 32 R N -0.185 120.383 120.500 0.112 0.000 2.692 32 R HA 0.536 4.877 4.340 0.001 0.000 0.269 32 R C -2.873 173.526 176.300 0.164 0.000 1.030 32 R CA -1.406 54.810 56.100 0.194 0.000 0.882 32 R CB -0.171 30.283 30.300 0.255 0.000 1.250 32 R HN -0.195 nan 8.270 nan 0.000 0.465 33 P HA 0.107 nan 4.420 nan 0.000 0.275 33 P C -0.364 177.040 177.300 0.173 0.000 1.228 33 P CA -0.510 62.661 63.100 0.118 0.000 0.786 33 P CB 1.396 33.117 31.700 0.034 0.000 0.927 34 R N 1.711 122.280 120.500 0.115 0.000 2.075 34 R HA -0.059 4.282 4.340 0.001 0.000 0.232 34 R C 0.100 176.486 176.300 0.143 0.000 1.126 34 R CA 1.326 57.496 56.100 0.117 0.000 0.963 34 R CB -0.151 30.194 30.300 0.074 0.000 0.858 34 R HN 0.448 nan 8.270 nan 0.000 0.435 35 D N 0.295 120.765 120.400 0.116 0.000 2.380 35 D HA 0.013 4.654 4.640 0.001 0.000 0.230 35 D C -1.095 175.292 176.300 0.145 0.000 1.154 35 D CA -0.097 53.976 54.000 0.121 0.000 0.859 35 D CB 0.476 41.313 40.800 0.062 0.000 1.045 35 D HN 0.258 nan 8.370 nan 0.000 0.495 36 W N 5.211 126.534 121.300 0.039 0.000 2.338 36 W HA 0.224 4.885 4.660 0.001 0.000 0.307 36 W C -2.172 174.385 176.519 0.063 0.000 1.167 36 W CA -1.920 55.449 57.345 0.039 0.000 1.208 36 W CB 1.211 30.688 29.460 0.027 0.000 1.228 36 W HN 0.196 nan 8.180 nan 0.000 0.499 37 P HA -0.030 nan 4.420 nan 0.000 0.271 37 P C 0.567 177.960 177.300 0.155 0.000 1.226 37 P CA -0.127 62.928 63.100 -0.075 0.000 0.765 37 P CB 1.213 32.783 31.700 -0.217 0.000 0.835 38 L N 2.700 124.037 121.223 0.191 0.000 2.362 38 L HA -0.123 4.218 4.340 0.001 0.000 0.219 38 L C 2.006 179.017 176.870 0.234 0.000 1.134 38 L CA 1.645 56.644 54.840 0.265 0.000 0.807 38 L CB -1.192 40.958 42.059 0.151 0.000 0.927 38 L HN 0.503 nan 8.230 nan 0.000 0.447 39 D N -0.545 119.943 120.400 0.146 0.000 2.317 39 D HA -0.171 4.469 4.640 0.001 0.000 0.211 39 D C 1.055 177.451 176.300 0.159 0.000 0.966 39 D CA 0.557 54.628 54.000 0.118 0.000 0.876 39 D CB 0.051 40.884 40.800 0.056 0.000 0.927 39 D HN 0.320 nan 8.370 nan 0.000 0.519 40 R N -0.475 120.155 120.500 0.217 0.000 2.816 40 R HA 0.148 4.489 4.340 0.001 0.000 0.382 40 R C 0.399 177.000 176.300 0.503 0.000 1.140 40 R CA -0.553 55.718 56.100 0.286 0.000 1.050 40 R CB -0.434 29.981 30.300 0.192 0.000 1.396 40 R HN 0.144 nan 8.270 nan 0.000 0.583 41 W N 1.151 122.607 121.300 0.260 0.000 2.363 41 W HA -0.146 4.515 4.660 0.001 0.000 0.296 41 W C 1.622 178.193 176.519 0.087 0.000 1.212 41 W CA 1.846 59.323 57.345 0.220 0.000 1.260 41 W CB 0.178 29.714 29.460 0.127 0.000 1.131 41 W HN 0.217 nan 8.180 nan 0.000 0.530 42 A N 0.041 122.929 122.820 0.115 0.000 2.167 42 A HA -0.044 4.276 4.320 0.001 0.000 0.214 42 A C 1.586 179.051 177.584 -0.198 0.000 1.151 42 A CA 1.226 53.145 52.037 -0.197 0.000 0.735 42 A CB -0.540 18.539 19.000 0.132 0.000 0.802 42 A HN 0.526 nan 8.150 nan 0.000 0.467 43 E N 0.241 120.417 120.200 -0.040 0.000 2.489 43 E HA 0.258 4.608 4.350 0.001 0.000 0.193 43 E C 0.628 177.133 176.600 -0.158 0.000 1.057 43 E CA 0.073 56.483 56.400 0.016 0.000 0.866 43 E CB 0.056 29.881 29.700 0.208 0.000 0.916 43 E HN 0.559 nan 8.360 nan 0.000 0.500 44 A N 3.590 126.058 122.820 -0.586 0.000 2.450 44 A HA 0.217 4.538 4.320 0.001 0.000 0.255 44 A C -1.970 175.137 177.584 -0.795 0.000 1.096 44 A CA -1.231 50.016 52.037 -1.317 0.000 0.778 44 A CB -0.151 17.836 19.000 -1.689 0.000 1.031 44 A HN -0.047 nan 8.150 nan 0.000 0.494 45 P HA 0.177 nan 4.420 nan 0.000 0.269 45 P C 0.012 177.100 177.300 -0.353 0.000 1.209 45 P CA -0.234 62.634 63.100 -0.387 0.000 0.776 45 P CB 0.701 32.238 31.700 -0.273 0.000 0.876 46 R N 0.750 121.097 120.500 -0.256 0.000 2.308 46 R HA 0.086 4.427 4.340 0.001 0.000 0.202 46 R C 0.813 177.012 176.300 -0.170 0.000 0.898 46 R CA 0.309 56.278 56.100 -0.219 0.000 1.046 46 R CB -0.083 30.107 30.300 -0.183 0.000 1.026 46 R HN 0.672 nan 8.270 nan 0.000 0.512 47 D N 0.026 120.329 120.400 -0.161 0.000 2.387 47 D HA -0.033 4.607 4.640 0.001 0.000 0.251 47 D C 1.157 177.352 176.300 -0.176 0.000 1.141 47 D CA -0.557 53.355 54.000 -0.147 0.000 0.987 47 D CB 1.454 42.179 40.800 -0.126 0.000 1.116 47 D HN -0.215 nan 8.370 nan 0.000 0.491 48 L N 0.880 121.969 121.223 -0.223 0.000 2.191 48 L HA 0.038 4.378 4.340 0.001 0.000 0.212 48 L C 1.939 178.566 176.870 -0.405 0.000 1.103 48 L CA 2.339 56.965 54.840 -0.357 0.000 0.769 48 L CB -1.037 40.721 42.059 -0.502 0.000 0.908 48 L HN 0.958 nan 8.230 nan 0.000 0.438 49 G N -2.545 106.098 108.800 -0.261 0.000 2.179 49 G HA2 -0.323 3.638 3.960 0.001 0.000 0.260 49 G HA3 -0.323 3.638 3.960 0.001 0.000 0.260 49 G C 0.125 175.041 174.900 0.027 0.000 0.977 49 G CA 0.500 45.546 45.100 -0.090 0.000 0.641 49 G HN 0.692 nan 8.290 nan 0.000 0.533 50 Y N -1.946 118.340 120.300 -0.024 0.000 2.713 50 Y HA 0.769 5.320 4.550 0.001 0.000 0.335 50 Y C 0.009 175.898 175.900 -0.018 0.000 1.222 50 Y CA -1.051 57.036 58.100 -0.021 0.000 1.061 50 Y CB 0.382 38.827 38.460 -0.025 0.000 1.314 50 Y HN 0.692 nan 8.280 nan 0.000 0.453 51 S N 0.737 116.540 115.700 0.172 0.000 2.573 51 S HA 0.126 4.596 4.470 0.001 0.000 0.277 51 S C 0.272 174.937 174.600 0.108 0.000 1.346 51 S CA 0.311 58.570 58.200 0.098 0.000 1.034 51 S CB 0.168 63.444 63.200 0.127 0.000 0.879 51 S HN 0.887 nan 8.310 nan 0.000 0.528 52 D N 3.716 124.145 120.400 0.049 0.000 2.559 52 D HA 0.015 4.656 4.640 0.001 0.000 0.234 52 D C 0.910 177.256 176.300 0.077 0.000 1.226 52 D CA -0.380 53.630 54.000 0.017 0.000 0.830 52 D CB -0.712 40.065 40.800 -0.039 0.000 1.028 52 D HN 0.574 nan 8.370 nan 0.000 0.492 53 F N 1.224 121.171 119.950 -0.005 0.000 2.014 53 F HA -0.061 4.466 4.527 0.001 0.000 0.295 53 F C 0.790 176.590 175.800 0.000 0.000 1.145 53 F CA 1.175 59.177 58.000 0.004 0.000 1.178 53 F CB 0.221 39.226 39.000 0.009 0.000 0.972 53 F HN 0.034 nan 8.300 nan 0.000 0.476 54 S N 0.606 115.887 115.700 -0.697 0.000 2.486 54 S HA 0.332 4.802 4.470 0.001 0.000 0.144 54 S C -1.948 172.390 174.600 -0.436 0.000 1.542 54 S CA -0.994 56.743 58.200 -0.771 0.000 1.262 54 S CB 0.434 62.815 63.200 -1.365 0.000 1.462 54 S HN 0.200 nan 8.310 nan 0.000 0.381 55 P HA 0.140 nan 4.420 nan 0.000 0.241 55 P C -0.222 176.875 177.300 -0.339 0.000 1.191 55 P CA 0.185 63.050 63.100 -0.392 0.000 0.771 55 P CB -0.106 31.372 31.700 -0.370 0.000 0.929 56 Y N 1.066 121.362 120.300 -0.007 0.000 2.316 56 Y HA 0.372 4.923 4.550 0.001 0.000 0.324 56 Y C 1.374 177.208 175.900 -0.110 0.000 1.267 56 Y CA -0.597 57.475 58.100 -0.046 0.000 1.311 56 Y CB 0.808 39.215 38.460 -0.089 0.000 1.267 56 Y HN -0.055 nan 8.280 nan 0.000 0.516 57 Q N 1.032 120.830 119.800 -0.004 0.000 2.511 57 Q HA 0.368 4.708 4.340 0.001 0.000 0.289 57 Q C -2.050 173.948 176.000 -0.003 0.000 1.021 57 Q CA -1.055 54.621 55.803 -0.210 0.000 0.785 57 Q CB 2.695 30.947 28.738 -0.811 0.000 1.472 57 Q HN 0.834 nan 8.270 nan 0.000 0.411 58 W N 2.797 123.968 121.300 -0.214 0.000 2.647 58 W HA 0.390 5.051 4.660 0.001 0.000 0.328 58 W C -0.566 175.888 176.519 -0.109 0.000 1.018 58 W CA -0.677 56.604 57.345 -0.105 0.000 1.245 58 W CB 1.292 30.741 29.460 -0.018 0.000 1.356 58 W HN 0.959 nan 8.180 nan 0.000 0.443 59 R N 3.498 123.659 120.500 -0.566 0.000 3.502 59 R HA -0.232 4.108 4.340 0.001 0.000 0.266 59 R C 0.925 177.092 176.300 -0.221 0.000 1.077 59 R CA 1.350 57.195 56.100 -0.425 0.000 0.718 59 R CB -1.885 28.147 30.300 -0.447 0.000 1.120 59 R HN 1.048 nan 8.270 nan 0.000 0.457 60 G N -0.858 107.793 108.800 -0.249 0.000 2.159 60 G HA2 -0.319 3.642 3.960 0.001 0.000 0.256 60 G HA3 -0.319 3.642 3.960 0.001 0.000 0.256 60 G C 0.124 174.959 174.900 -0.108 0.000 0.977 60 G CA 0.357 45.359 45.100 -0.164 0.000 0.652 60 G HN 0.283 nan 8.290 nan 0.000 0.531 61 L N 0.521 121.678 121.223 -0.110 0.000 2.325 61 L HA 0.575 4.916 4.340 0.001 0.000 0.278 61 L C 1.192 178.023 176.870 -0.065 0.000 1.023 61 L CA -1.178 53.645 54.840 -0.028 0.000 0.811 61 L CB 1.183 43.269 42.059 0.045 0.000 1.249 61 L HN 0.050 nan 8.230 nan 0.000 0.431 62 R N 2.566 123.079 120.500 0.023 0.000 2.585 62 R HA 0.205 4.545 4.340 0.001 0.000 0.275 62 R C -0.571 175.750 176.300 0.036 0.000 1.018 62 R CA 0.112 56.248 56.100 0.061 0.000 1.072 62 R CB 0.386 30.782 30.300 0.160 0.000 0.953 62 R HN 0.408 nan 8.270 nan 0.000 0.419 63 M N 4.431 124.036 119.600 0.008 0.000 2.078 63 M HA 0.152 4.632 4.480 0.001 0.000 0.320 63 M C 0.569 176.849 176.300 -0.033 0.000 0.969 63 M CA -0.285 54.984 55.300 -0.052 0.000 0.929 63 M CB 1.687 34.217 32.600 -0.116 0.000 1.504 63 M HN 0.604 nan 8.290 nan 0.000 0.419 64 L N 1.748 122.944 121.223 -0.044 0.000 2.492 64 L HA 0.048 4.389 4.340 0.001 0.000 0.223 64 L C 0.635 177.467 176.870 -0.064 0.000 1.132 64 L CA 0.651 55.465 54.840 -0.042 0.000 0.850 64 L CB -0.089 41.963 42.059 -0.011 0.000 0.966 64 L HN 0.499 nan 8.230 nan 0.000 0.454 65 K N 1.660 121.971 120.400 -0.149 0.000 2.248 65 K HA 0.163 4.484 4.320 0.001 0.000 0.281 65 K C -0.569 175.871 176.600 -0.266 0.000 1.054 65 K CA -0.554 55.616 56.287 -0.195 0.000 0.903 65 K CB 0.890 33.203 32.500 -0.311 0.000 1.077 65 K HN 0.012 nan 8.250 nan 0.000 0.474 66 D N 2.773 123.046 120.400 -0.213 0.000 2.377 66 D HA 0.081 4.722 4.640 0.001 0.000 0.245 66 D C -1.894 174.121 176.300 -0.475 0.000 1.196 66 D CA -1.893 51.871 54.000 -0.394 0.000 0.962 66 D CB 0.292 40.981 40.800 -0.185 0.000 1.127 66 D HN 0.066 nan 8.370 nan 0.000 0.471 67 P HA -0.169 nan 4.420 nan 0.000 0.216 67 P C 0.681 177.842 177.300 -0.231 0.000 1.154 67 P CA 1.324 64.180 63.100 -0.406 0.000 0.865 67 P CB 0.079 31.551 31.700 -0.379 0.000 0.789 68 D N -1.439 118.850 120.400 -0.184 0.000 2.144 68 D HA -0.101 4.540 4.640 0.001 0.000 0.199 68 D C 1.785 178.026 176.300 -0.098 0.000 0.984 68 D CA 1.395 55.331 54.000 -0.107 0.000 0.834 68 D CB -0.643 40.112 40.800 -0.076 0.000 0.955 68 D HN 0.174 nan 8.370 nan 0.000 0.465 69 T N 1.359 115.839 114.554 -0.124 0.000 2.746 69 T HA -0.157 4.193 4.350 0.001 0.000 0.267 69 T C 2.002 176.661 174.700 -0.067 0.000 1.039 69 T CA 1.024 63.059 62.100 -0.109 0.000 1.142 69 T CB -0.135 68.682 68.868 -0.085 0.000 0.866 69 T HN 0.242 nan 8.240 nan 0.000 0.444 70 Q N 0.440 120.144 119.800 -0.161 0.000 2.170 70 Q HA 0.020 4.360 4.340 0.001 0.000 0.203 70 Q C 2.640 178.759 176.000 0.199 0.000 0.976 70 Q CA 1.268 57.002 55.803 -0.114 0.000 0.858 70 Q CB -0.245 28.279 28.738 -0.358 0.000 0.907 70 Q HN 0.552 nan 8.270 nan 0.000 0.433 71 A N 0.181 123.037 122.820 0.061 0.000 1.929 71 A HA -0.091 4.229 4.320 0.001 0.000 0.216 71 A C 2.292 179.935 177.584 0.098 0.000 1.176 71 A CA 0.950 53.035 52.037 0.080 0.000 0.628 71 A CB -0.459 18.545 19.000 0.007 0.000 0.816 71 A HN 0.189 nan 8.150 nan 0.000 0.444 72 V N -1.412 118.503 119.914 0.000 0.000 2.261 72 V HA -0.289 3.832 4.120 0.001 0.000 0.246 72 V C 2.322 178.276 176.094 -0.234 0.000 1.047 72 V CA 1.948 64.164 62.300 -0.140 0.000 1.015 72 V CB -1.103 30.579 31.823 -0.235 0.000 0.642 72 V HN 0.686 nan 8.190 nan 0.000 0.446 73 Y N -0.355 119.954 120.300 0.015 0.000 2.333 73 Y HA -0.293 4.258 4.550 0.001 0.000 0.290 73 Y C 2.631 178.585 175.900 0.090 0.000 1.144 73 Y CA 1.923 60.081 58.100 0.097 0.000 1.228 73 Y CB -0.346 38.365 38.460 0.418 0.000 0.985 73 Y HN 0.426 nan 8.280 nan 0.000 0.542 74 H N -0.020 119.179 119.070 0.216 0.000 2.357 74 H HA -0.143 4.414 4.556 0.001 0.000 0.301 74 H C 1.567 176.942 175.328 0.078 0.000 1.082 74 H CA 2.087 58.192 56.048 0.096 0.000 1.342 74 H CB -0.035 29.778 29.762 0.085 0.000 1.389 74 H HN 0.167 nan 8.280 nan 0.000 0.511 75 D N -0.083 120.381 120.400 0.107 0.000 2.162 75 D HA -0.133 4.508 4.640 0.001 0.000 0.203 75 D C 2.278 178.599 176.300 0.035 0.000 0.967 75 D CA 0.920 55.001 54.000 0.135 0.000 0.840 75 D CB -0.287 40.656 40.800 0.238 0.000 0.972 75 D HN 0.459 nan 8.370 nan 0.000 0.482 76 M N 0.043 119.470 119.600 -0.289 0.000 2.067 76 M HA -0.173 4.308 4.480 0.001 0.000 0.260 76 M C 1.768 178.004 176.300 -0.107 0.000 1.069 76 M CA 1.181 56.262 55.300 -0.364 0.000 1.117 76 M CB -0.011 32.213 32.600 -0.627 0.000 1.334 76 M HN -0.050 nan 8.290 nan 0.000 0.407 77 L N -0.178 120.999 121.223 -0.077 0.000 2.079 77 L HA -0.267 4.074 4.340 0.001 0.000 0.210 77 L C 2.242 179.095 176.870 -0.029 0.000 1.081 77 L CA 1.886 56.690 54.840 -0.061 0.000 0.752 77 L CB -1.061 40.949 42.059 -0.081 0.000 0.896 77 L HN 0.614 nan 8.230 nan 0.000 0.433 78 W N 0.450 121.631 121.300 -0.197 0.000 2.453 78 W HA -0.143 4.517 4.660 0.001 0.000 0.289 78 W C 2.244 178.732 176.519 -0.052 0.000 1.215 78 W CA 1.537 58.785 57.345 -0.162 0.000 1.297 78 W CB 0.105 29.430 29.460 -0.225 0.000 1.113 78 W HN 0.379 nan 8.180 nan 0.000 0.551 79 E N 0.567 120.797 120.200 0.051 0.000 2.016 79 E HA -0.232 4.118 4.350 0.001 0.000 0.190 79 E C 2.424 179.002 176.600 -0.036 0.000 0.985 79 E CA 1.280 57.690 56.400 0.017 0.000 0.802 79 E CB -0.716 29.102 29.700 0.196 0.000 0.762 79 E HN 0.140 nan 8.360 nan 0.000 0.448 80 L N 0.710 121.945 121.223 0.020 0.000 2.179 80 L HA 0.036 4.376 4.340 0.001 0.000 0.208 80 L C 0.273 177.132 176.870 -0.018 0.000 1.096 80 L CA 1.005 55.874 54.840 0.048 0.000 0.779 80 L CB -0.253 41.874 42.059 0.113 0.000 0.922 80 L HN 0.268 nan 8.230 nan 0.000 0.443 81 R N -0.011 120.444 120.500 -0.075 0.000 3.146 81 R HA -0.117 4.223 4.340 0.001 0.000 0.250 81 R C -2.247 174.019 176.300 -0.056 0.000 0.912 81 R CA 0.035 56.077 56.100 -0.098 0.000 0.633 81 R CB -1.873 28.342 30.300 -0.141 0.000 1.180 81 R HN 0.364 nan 8.270 nan 0.000 0.464 82 P HA -0.011 nan 4.420 nan 0.000 0.271 82 P C -0.006 177.259 177.300 -0.060 0.000 1.216 82 P CA 0.101 63.176 63.100 -0.041 0.000 0.771 82 P CB 0.645 32.302 31.700 -0.071 0.000 0.864 83 R N 0.811 121.283 120.500 -0.045 0.000 2.300 83 R HA 0.163 4.504 4.340 0.001 0.000 0.199 83 R C 0.084 176.341 176.300 -0.072 0.000 0.920 83 R CA 0.484 56.553 56.100 -0.052 0.000 1.046 83 R CB 0.237 30.517 30.300 -0.033 0.000 0.984 83 R HN 0.473 nan 8.270 nan 0.000 0.493 84 T N 1.022 115.522 114.554 -0.090 0.000 2.991 84 T HA 0.460 4.811 4.350 0.001 0.000 0.303 84 T C -0.642 173.979 174.700 -0.131 0.000 1.015 84 T CA -0.473 61.566 62.100 -0.101 0.000 1.007 84 T CB 2.209 71.013 68.868 -0.107 0.000 1.034 84 T HN -0.036 nan 8.240 nan 0.000 0.446 85 I N 3.061 123.519 120.570 -0.187 0.000 2.410 85 I HA 0.433 4.603 4.170 0.001 0.000 0.286 85 I C -0.516 175.437 176.117 -0.275 0.000 1.009 85 I CA -1.004 60.107 61.300 -0.316 0.000 1.111 85 I CB 1.704 39.362 38.000 -0.570 0.000 1.262 85 I HN 0.304 nan 8.210 nan 0.000 0.443 86 V N 5.602 125.354 119.914 -0.271 0.000 2.427 86 V HA 0.341 4.462 4.120 0.001 0.000 0.286 86 V C -0.075 175.753 176.094 -0.443 0.000 1.034 86 V CA -0.551 61.558 62.300 -0.318 0.000 0.893 86 V CB 1.605 33.205 31.823 -0.372 0.000 0.982 86 V HN 0.687 nan 8.190 nan 0.000 0.452 87 E N 3.660 123.671 120.200 -0.316 0.000 2.186 87 E HA 0.396 4.747 4.350 0.001 0.000 0.255 87 E C -0.924 175.545 176.600 -0.218 0.000 0.881 87 E CA -0.513 55.728 56.400 -0.265 0.000 0.752 87 E CB 1.376 31.020 29.700 -0.093 0.000 1.176 87 E HN 0.676 nan 8.360 nan 0.000 0.421 88 L N 4.601 125.644 121.223 -0.301 0.000 2.530 88 L HA 0.354 4.695 4.340 0.001 0.000 0.273 88 L C 0.292 177.120 176.870 -0.070 0.000 1.141 88 L CA 0.757 55.525 54.840 -0.120 0.000 0.905 88 L CB 0.016 42.044 42.059 -0.051 0.000 1.202 88 L HN 0.870 nan 8.230 nan 0.000 0.473 89 G N 3.119 111.909 108.800 -0.016 0.000 3.190 89 G HA2 -0.112 3.848 3.960 0.001 0.000 0.686 89 G HA3 -0.112 3.848 3.960 0.001 0.000 0.686 89 G C -0.277 174.641 174.900 0.030 0.000 1.033 89 G CA -0.465 44.638 45.100 0.005 0.000 0.797 89 G HN 0.443 nan 8.290 nan 0.000 0.567 90 V N 3.201 123.159 119.914 0.074 0.000 3.058 90 V HA 0.292 4.412 4.120 0.001 0.000 0.233 90 V C 1.420 177.615 176.094 0.168 0.000 1.255 90 V CA 1.959 64.311 62.300 0.087 0.000 1.267 90 V CB -0.869 30.986 31.823 0.053 0.000 1.049 90 V HN 1.851 nan 8.190 nan 0.000 0.486 91 Y N 2.416 122.733 120.300 0.028 0.000 2.819 91 Y HA -0.498 4.052 4.550 0.001 0.000 0.471 91 Y C 1.816 177.741 175.900 0.041 0.000 1.144 91 Y CA 2.551 60.677 58.100 0.043 0.000 2.720 91 Y CB -1.471 37.021 38.460 0.054 0.000 1.169 91 Y HN 0.485 nan 8.280 nan 0.000 0.619 92 N N 1.720 120.295 118.700 -0.209 0.000 2.356 92 N HA 0.209 4.949 4.740 0.001 0.000 0.178 92 N C 1.528 176.994 175.510 -0.072 0.000 1.075 92 N CA 1.486 54.367 53.050 -0.282 0.000 0.889 92 N CB 0.908 39.220 38.487 -0.291 0.000 0.999 92 N HN 1.499 nan 8.380 nan 0.000 0.464 93 G N -0.402 108.403 108.800 0.008 0.000 2.175 93 G HA2 -0.249 3.711 3.960 0.001 0.000 0.244 93 G HA3 -0.249 3.711 3.960 0.001 0.000 0.244 93 G C 0.980 175.907 174.900 0.045 0.000 0.982 93 G CA 0.445 45.561 45.100 0.027 0.000 0.641 93 G HN 0.633 nan 8.290 nan 0.000 0.527 94 G N 1.250 110.076 108.800 0.045 0.000 2.459 94 G HA2 -0.024 3.936 3.960 0.001 0.000 0.217 94 G HA3 -0.024 3.936 3.960 0.001 0.000 0.217 94 G C 2.174 177.076 174.900 0.003 0.000 1.183 94 G CA 2.413 47.542 45.100 0.049 0.000 0.776 94 G HN 1.589 nan 8.290 nan 0.000 0.552 95 S N 0.407 116.074 115.700 -0.055 0.000 2.402 95 S HA -0.008 4.462 4.470 0.001 0.000 0.229 95 S C 2.248 176.833 174.600 -0.025 0.000 1.021 95 S CA 1.026 59.124 58.200 -0.170 0.000 0.974 95 S CB -0.310 62.763 63.200 -0.211 0.000 0.800 95 S HN 0.077 nan 8.310 nan 0.000 0.484 96 L N 2.134 123.408 121.223 0.085 0.000 2.042 96 L HA 0.019 4.360 4.340 0.001 0.000 0.210 96 L C 2.915 179.853 176.870 0.114 0.000 1.076 96 L CA 1.701 56.626 54.840 0.141 0.000 0.749 96 L CB -1.390 40.718 42.059 0.082 0.000 0.893 96 L HN 0.467 nan 8.230 nan 0.000 0.432 97 A N -2.420 120.453 122.820 0.088 0.000 1.970 97 A HA -0.227 4.093 4.320 0.001 0.000 0.216 97 A C 2.126 179.739 177.584 0.048 0.000 1.170 97 A CA 1.016 53.119 52.037 0.110 0.000 0.645 97 A CB -1.083 18.028 19.000 0.185 0.000 0.816 97 A HN 0.592 nan 8.150 nan 0.000 0.447 98 W N -0.121 120.959 121.300 -0.366 0.000 2.355 98 W HA -0.151 4.509 4.660 0.001 0.000 0.309 98 W C 1.723 177.931 176.519 -0.518 0.000 1.206 98 W CA 1.809 58.645 57.345 -0.849 0.000 1.284 98 W CB -0.512 28.311 29.460 -1.063 0.000 1.145 98 W HN 0.300 nan 8.180 nan 0.000 0.502 99 F N 0.354 120.151 119.950 -0.254 0.000 2.161 99 F HA -0.242 4.285 4.527 0.001 0.000 0.300 99 F C 2.835 178.433 175.800 -0.336 0.000 1.089 99 F CA 1.570 59.338 58.000 -0.386 0.000 1.282 99 F CB -0.542 38.338 39.000 -0.200 0.000 1.010 99 F HN -0.211 nan 8.300 nan 0.000 0.485 100 R N 0.839 121.330 120.500 -0.015 0.000 2.075 100 R HA -0.139 4.202 4.340 0.001 0.000 0.232 100 R C 1.556 177.822 176.300 -0.057 0.000 1.126 100 R CA 1.774 57.860 56.100 -0.024 0.000 0.963 100 R CB -0.681 29.630 30.300 0.018 0.000 0.858 100 R HN 0.206 nan 8.270 nan 0.000 0.435 101 D N 0.673 121.029 120.400 -0.073 0.000 2.144 101 D HA -0.130 4.511 4.640 0.001 0.000 0.200 101 D C 1.956 178.195 176.300 -0.101 0.000 0.978 101 D CA 0.489 54.488 54.000 -0.002 0.000 0.833 101 D CB -0.024 40.911 40.800 0.225 0.000 0.961 101 D HN 0.128 nan 8.370 nan 0.000 0.470 102 L N 1.220 122.237 121.223 -0.343 0.000 2.005 102 L HA -0.135 4.205 4.340 0.001 0.000 0.207 102 L C 2.632 179.393 176.870 -0.182 0.000 1.072 102 L CA 1.837 56.458 54.840 -0.365 0.000 0.744 102 L CB -1.422 40.182 42.059 -0.758 0.000 0.895 102 L HN 0.181 nan 8.230 nan 0.000 0.433 103 T N -3.007 111.446 114.554 -0.169 0.000 2.803 103 T HA -0.228 4.122 4.350 0.001 0.000 0.269 103 T C 1.960 176.633 174.700 -0.044 0.000 1.052 103 T CA 0.941 62.986 62.100 -0.091 0.000 1.136 103 T CB -0.151 68.664 68.868 -0.087 0.000 0.864 103 T HN 0.136 nan 8.240 nan 0.000 0.467 104 K N 1.130 121.509 120.400 -0.035 0.000 2.001 104 K HA 0.018 4.339 4.320 0.001 0.000 0.208 104 K C 2.452 179.064 176.600 0.019 0.000 1.048 104 K CA 1.488 57.773 56.287 -0.003 0.000 0.932 104 K CB -0.361 32.144 32.500 0.009 0.000 0.715 104 K HN 0.596 nan 8.250 nan 0.000 0.437 105 I N -1.674 118.914 120.570 0.029 0.000 2.614 105 I HA -0.162 4.008 4.170 0.001 0.000 0.258 105 I C 1.841 178.011 176.117 0.087 0.000 1.189 105 I CA 1.115 62.449 61.300 0.057 0.000 1.462 105 I CB -0.700 37.342 38.000 0.068 0.000 1.092 105 I HN 0.080 nan 8.210 nan 0.000 0.442 106 M N 1.352 121.005 119.600 0.088 0.000 2.619 106 M HA 0.129 4.609 4.480 0.001 0.000 0.251 106 M C 1.464 177.823 176.300 0.098 0.000 1.106 106 M CA 1.011 56.413 55.300 0.171 0.000 1.086 106 M CB -0.144 32.553 32.600 0.161 0.000 1.465 106 M HN 0.592 nan 8.290 nan 0.000 0.506 107 G N 1.859 110.688 108.800 0.049 0.000 2.153 107 G HA2 -0.262 3.698 3.960 0.001 0.000 0.252 107 G HA3 -0.262 3.698 3.960 0.001 0.000 0.252 107 G C 0.021 174.912 174.900 -0.015 0.000 0.994 107 G CA -0.081 45.030 45.100 0.018 0.000 0.698 107 G HN 0.467 nan 8.290 nan 0.000 0.521 108 I N 0.518 121.072 120.570 -0.026 0.000 2.428 108 I HA 0.263 4.433 4.170 0.001 0.000 0.289 108 I C 0.238 176.333 176.117 -0.038 0.000 1.019 108 I CA -0.564 60.707 61.300 -0.048 0.000 1.351 108 I CB 1.260 39.221 38.000 -0.066 0.000 1.412 108 I HN 0.017 nan 8.210 nan 0.000 0.513 109 D N 6.224 126.602 120.400 -0.037 0.000 2.563 109 D HA 0.138 4.778 4.640 0.001 0.000 0.222 109 D C -0.967 175.312 176.300 -0.036 0.000 1.145 109 D CA -0.094 53.888 54.000 -0.029 0.000 1.001 109 D CB 0.251 41.037 40.800 -0.022 0.000 1.049 109 D HN 0.400 nan 8.370 nan 0.000 0.515 110 C N 3.082 122.357 119.300 -0.042 0.000 2.435 110 C HA 0.519 4.980 4.460 0.001 0.000 0.333 110 C C -0.684 174.277 174.990 -0.048 0.000 1.202 110 C CA -0.592 58.392 59.018 -0.055 0.000 1.830 110 C CB 1.185 28.880 27.740 -0.076 0.000 2.326 110 C HN 0.444 nan 8.230 nan 0.000 0.507 111 Q N 4.013 123.781 119.800 -0.053 0.000 2.381 111 Q HA 0.347 4.687 4.340 0.001 0.000 0.263 111 Q C -0.781 175.185 176.000 -0.057 0.000 1.030 111 Q CA -0.215 55.563 55.803 -0.041 0.000 0.772 111 Q CB 1.759 30.482 28.738 -0.025 0.000 1.232 111 Q HN 0.655 nan 8.270 nan 0.000 0.476 112 V N 5.095 124.978 119.914 -0.051 0.000 2.455 112 V HA 0.317 4.438 4.120 0.001 0.000 0.273 112 V C 0.398 176.470 176.094 -0.038 0.000 1.045 112 V CA -0.113 62.150 62.300 -0.062 0.000 0.976 112 V CB 0.535 32.347 31.823 -0.018 0.000 0.993 112 V HN 0.569 nan 8.190 nan 0.000 0.475 113 I N 3.818 124.360 120.570 -0.046 0.000 2.441 113 I HA 0.702 4.872 4.170 0.001 0.000 0.295 113 I C 0.647 176.755 176.117 -0.016 0.000 0.994 113 I CA -0.076 61.222 61.300 -0.002 0.000 1.144 113 I CB 1.992 40.025 38.000 0.055 0.000 1.314 113 I HN 0.697 nan 8.210 nan 0.000 0.445 114 G N 6.693 115.500 108.800 0.011 0.000 2.530 114 G HA2 0.789 4.750 3.960 0.001 0.000 0.316 114 G HA3 0.789 4.750 3.960 0.001 0.000 0.316 114 G C -1.054 173.871 174.900 0.041 0.000 1.298 114 G CA -0.337 44.767 45.100 0.007 0.000 0.948 114 G HN 0.439 nan 8.290 nan 0.000 0.486 115 I N 1.806 122.393 120.570 0.029 0.000 2.498 115 I HA 0.518 4.688 4.170 0.001 0.000 0.290 115 I C -1.261 174.873 176.117 0.029 0.000 1.032 115 I CA -0.682 60.646 61.300 0.046 0.000 1.073 115 I CB 2.644 40.673 38.000 0.048 0.000 1.251 115 I HN 0.323 nan 8.210 nan 0.000 0.426 116 D N 3.383 123.798 120.400 0.024 0.000 2.706 116 D HA 0.162 4.802 4.640 0.001 0.000 0.227 116 D C 0.205 176.512 176.300 0.011 0.000 1.233 116 D CA -0.552 53.462 54.000 0.024 0.000 0.768 116 D CB 1.940 42.763 40.800 0.038 0.000 1.490 116 D HN 0.644 nan 8.370 nan 0.000 0.458 117 R N 1.155 121.663 120.500 0.013 0.000 2.115 117 R HA 0.044 4.385 4.340 0.001 0.000 0.226 117 R C 0.157 176.466 176.300 0.015 0.000 1.100 117 R CA 0.862 56.966 56.100 0.006 0.000 0.980 117 R CB 0.115 30.419 30.300 0.008 0.000 0.875 117 R HN 0.102 nan 8.270 nan 0.000 0.445 118 D N -0.067 120.349 120.400 0.027 0.000 2.481 118 D HA 0.229 4.870 4.640 0.001 0.000 0.246 118 D C -0.010 176.309 176.300 0.030 0.000 1.109 118 D CA -0.578 53.440 54.000 0.029 0.000 0.845 118 D CB 1.632 42.456 40.800 0.040 0.000 1.160 118 D HN 0.164 nan 8.370 nan 0.000 0.534 119 L N 2.570 123.803 121.223 0.017 0.000 2.693 119 L HA 0.078 4.419 4.340 0.001 0.000 0.235 119 L C 2.037 178.904 176.870 -0.005 0.000 1.127 119 L CA 0.012 54.856 54.840 0.007 0.000 0.914 119 L CB 0.118 42.177 42.059 0.001 0.000 1.193 119 L HN 0.364 nan 8.230 nan 0.000 0.502 120 S N 0.118 115.818 115.700 0.001 0.000 2.500 120 S HA -0.149 4.321 4.470 0.001 0.000 0.239 120 S C 1.837 176.424 174.600 -0.022 0.000 0.989 120 S CA 0.749 58.946 58.200 -0.005 0.000 0.951 120 S CB -0.106 63.098 63.200 0.007 0.000 0.759 120 S HN 0.393 nan 8.310 nan 0.000 0.523 121 R N -0.114 120.360 120.500 -0.042 0.000 2.317 121 R HA 0.311 4.651 4.340 0.001 0.000 0.208 121 R C 0.553 176.761 176.300 -0.154 0.000 0.914 121 R CA 0.082 56.114 56.100 -0.113 0.000 1.060 121 R CB -0.399 29.798 30.300 -0.172 0.000 1.015 121 R HN 0.472 nan 8.270 nan 0.000 0.498 122 C N 1.934 121.181 119.300 -0.088 0.000 2.624 122 C HA 0.095 4.556 4.460 0.001 0.000 0.397 122 C C 1.102 176.055 174.990 -0.061 0.000 1.331 122 C CA -0.394 58.579 59.018 -0.074 0.000 1.716 122 C CB 0.063 27.781 27.740 -0.036 0.000 2.452 122 C HN 0.485 nan 8.230 nan 0.000 0.586 123 Q N 4.334 124.094 119.800 -0.066 0.000 2.319 123 Q HA 0.238 4.579 4.340 0.001 0.000 0.202 123 Q C 0.385 176.373 176.000 -0.020 0.000 0.896 123 Q CA 0.294 56.069 55.803 -0.046 0.000 0.942 123 Q CB 0.059 28.764 28.738 -0.055 0.000 1.083 123 Q HN 0.819 nan 8.270 nan 0.000 0.510 124 I N 3.717 124.281 120.570 -0.010 0.000 2.668 124 I HA -0.006 4.164 4.170 0.001 0.000 0.285 124 I C -1.862 174.256 176.117 0.000 0.000 1.168 124 I CA -1.441 59.863 61.300 0.007 0.000 1.424 124 I CB 0.054 38.063 38.000 0.016 0.000 1.377 124 I HN -0.143 nan 8.210 nan 0.000 0.560 125 P HA 0.048 nan 4.420 nan 0.000 0.268 125 P C 0.306 177.606 177.300 0.000 0.000 1.205 125 P CA -0.208 62.891 63.100 -0.001 0.000 0.771 125 P CB 0.901 32.601 31.700 0.000 0.000 0.858 126 A N 2.298 125.116 122.820 -0.003 0.000 2.067 126 A HA -0.145 4.176 4.320 0.001 0.000 0.219 126 A C 2.027 179.610 177.584 -0.002 0.000 1.158 126 A CA 1.818 53.852 52.037 -0.005 0.000 0.661 126 A CB -1.338 17.657 19.000 -0.007 0.000 0.801 126 A HN 0.608 nan 8.150 nan 0.000 0.452 127 S N -0.598 115.102 115.700 -0.000 0.000 2.428 127 S HA -0.105 4.365 4.470 0.001 0.000 0.230 127 S C 0.961 175.564 174.600 0.005 0.000 1.014 127 S CA 1.149 59.350 58.200 0.001 0.000 0.957 127 S CB -0.250 62.950 63.200 0.000 0.000 0.784 127 S HN 0.469 nan 8.310 nan 0.000 0.499 128 D N -0.110 120.296 120.400 0.009 0.000 3.058 128 D HA 0.359 4.999 4.640 0.001 0.000 0.272 128 D C 0.381 176.695 176.300 0.022 0.000 1.350 128 D CA -0.169 53.843 54.000 0.019 0.000 0.863 128 D CB 0.114 40.929 40.800 0.025 0.000 1.064 128 D HN 0.229 nan 8.370 nan 0.000 0.488 129 M N 0.206 119.813 119.600 0.012 0.000 2.306 129 M HA 0.244 4.724 4.480 0.001 0.000 0.292 129 M C 0.094 176.395 176.300 0.002 0.000 1.018 129 M CA -0.165 55.138 55.300 0.006 0.000 1.007 129 M CB 0.265 32.863 32.600 -0.004 0.000 1.510 129 M HN 0.058 nan 8.290 nan 0.000 0.537 130 E N 0.989 121.192 120.200 0.005 0.000 2.414 130 E HA -0.044 4.306 4.350 0.001 0.000 0.263 130 E C -0.074 176.526 176.600 0.001 0.000 1.000 130 E CA 0.300 56.701 56.400 0.002 0.000 0.914 130 E CB 0.201 29.904 29.700 0.005 0.000 0.948 130 E HN 0.395 nan 8.360 nan 0.000 0.444 131 N N 2.339 121.036 118.700 -0.005 0.000 2.741 131 N HA -0.202 4.539 4.740 0.001 0.000 0.250 131 N C -1.024 174.480 175.510 -0.011 0.000 1.115 131 N CA 1.272 54.317 53.050 -0.009 0.000 0.724 131 N CB -1.071 37.410 38.487 -0.009 0.000 1.090 131 N HN 0.481 nan 8.380 nan 0.000 0.558 132 I N 0.471 121.032 120.570 -0.014 0.000 2.499 132 I HA 0.250 4.421 4.170 0.001 0.000 0.288 132 I C -0.163 175.928 176.117 -0.044 0.000 1.048 132 I CA -0.403 60.886 61.300 -0.018 0.000 1.062 132 I CB 2.293 40.291 38.000 -0.003 0.000 1.238 132 I HN -0.228 nan 8.210 nan 0.000 0.426 133 T N 6.435 120.951 114.554 -0.064 0.000 2.812 133 T HA 0.525 4.875 4.350 0.001 0.000 0.282 133 T C -0.489 174.106 174.700 -0.175 0.000 0.990 133 T CA -0.514 61.500 62.100 -0.144 0.000 0.960 133 T CB 1.491 70.261 68.868 -0.165 0.000 0.948 133 T HN 0.068 nan 8.240 nan 0.000 0.438 134 L N 3.183 124.283 121.223 -0.205 0.000 2.357 134 L HA 0.507 4.847 4.340 0.001 0.000 0.273 134 L C -0.088 176.623 176.870 -0.265 0.000 1.080 134 L CA -0.340 54.410 54.840 -0.150 0.000 0.803 134 L CB 0.571 42.581 42.059 -0.082 0.000 1.174 134 L HN 0.724 nan 8.230 nan 0.000 0.443 135 H N 1.233 120.295 119.070 -0.014 0.000 3.018 135 H HA 0.271 4.827 4.556 0.001 0.000 0.334 135 H C -0.895 174.411 175.328 -0.037 0.000 0.983 135 H CA -0.455 55.580 56.048 -0.022 0.000 1.363 135 H CB 1.590 31.336 29.762 -0.026 0.000 1.668 135 H HN 0.520 nan 8.280 nan 0.000 0.513 136 Q N 3.615 123.471 119.800 0.093 0.000 2.503 136 Q HA 0.444 4.785 4.340 0.001 0.000 0.227 136 Q C -0.681 175.314 176.000 -0.009 0.000 1.109 136 Q CA -0.684 55.137 55.803 0.030 0.000 0.922 136 Q CB 0.408 29.157 28.738 0.019 0.000 1.249 136 Q HN 0.817 nan 8.270 nan 0.000 0.530 137 G N 2.121 110.888 108.800 -0.055 0.000 2.642 137 G HA2 0.274 4.235 3.960 0.001 0.000 0.293 137 G HA3 0.274 4.235 3.960 0.001 0.000 0.293 137 G C -1.590 173.235 174.900 -0.125 0.000 1.341 137 G CA -0.693 44.333 45.100 -0.124 0.000 0.916 137 G HN 0.562 nan 8.290 nan 0.000 0.474 138 D N -0.949 119.371 120.400 -0.134 0.000 2.329 138 D HA 0.311 4.952 4.640 0.001 0.000 0.246 138 D C 1.102 177.331 176.300 -0.119 0.000 1.111 138 D CA -0.363 53.583 54.000 -0.090 0.000 0.941 138 D CB 1.682 42.445 40.800 -0.062 0.000 1.169 138 D HN 0.219 nan 8.370 nan 0.000 0.441 139 C N 0.212 119.507 119.300 -0.009 0.000 2.631 139 C HA -0.075 4.385 4.460 0.001 0.000 0.283 139 C C 2.825 177.892 174.990 0.128 0.000 1.295 139 C CA 1.241 60.322 59.018 0.105 0.000 1.697 139 C CB -1.276 26.561 27.740 0.161 0.000 2.128 139 C HN 0.847 nan 8.230 nan 0.000 0.503 140 S N 0.443 116.197 115.700 0.090 0.000 2.440 140 S HA -0.204 4.267 4.470 0.001 0.000 0.240 140 S C 0.415 175.041 174.600 0.044 0.000 1.014 140 S CA 1.500 59.749 58.200 0.082 0.000 0.980 140 S CB -0.670 62.567 63.200 0.061 0.000 0.775 140 S HN 0.714 nan 8.310 nan 0.000 0.499 141 D N 0.899 121.289 120.400 -0.017 0.000 2.352 141 D HA 0.260 4.901 4.640 0.001 0.000 0.245 141 D C 0.804 177.030 176.300 -0.123 0.000 1.224 141 D CA -0.204 53.749 54.000 -0.079 0.000 0.879 141 D CB 0.405 41.127 40.800 -0.129 0.000 1.057 141 D HN 0.225 nan 8.370 nan 0.000 0.491 142 L N 2.699 123.877 121.223 -0.075 0.000 2.362 142 L HA -0.113 4.227 4.340 0.001 0.000 0.219 142 L C 2.248 178.933 176.870 -0.307 0.000 1.134 142 L CA 1.109 55.882 54.840 -0.112 0.000 0.807 142 L CB -0.407 41.573 42.059 -0.132 0.000 0.927 142 L HN 0.499 nan 8.230 nan 0.000 0.447 143 T N -4.717 109.657 114.554 -0.299 0.000 2.915 143 T HA -0.145 4.205 4.350 0.001 0.000 0.269 143 T C 1.803 176.098 174.700 -0.676 0.000 1.071 143 T CA 1.332 63.219 62.100 -0.356 0.000 1.132 143 T CB -0.596 68.120 68.868 -0.252 0.000 0.878 143 T HN 0.206 nan 8.240 nan 0.000 0.479 144 T N 1.962 116.060 114.554 -0.758 0.000 2.714 144 T HA -0.128 4.222 4.350 0.001 0.000 0.268 144 T C 1.329 175.533 174.700 -0.826 0.000 1.036 144 T CA 1.703 63.256 62.100 -0.913 0.000 1.148 144 T CB -0.627 67.597 68.868 -1.074 0.000 0.856 144 T HN 0.572 nan 8.240 nan 0.000 0.462 145 F N 0.572 120.225 119.950 -0.496 0.000 2.317 145 F HA 0.213 4.741 4.527 0.001 0.000 0.293 145 F C 2.513 178.221 175.800 -0.154 0.000 1.085 145 F CA 0.260 57.959 58.000 -0.502 0.000 1.390 145 F CB -0.319 37.929 39.000 -1.253 0.000 1.077 145 F HN 0.057 nan 8.300 nan 0.000 0.517 146 E N 0.254 120.494 120.200 0.066 0.000 2.070 146 E HA -0.259 4.092 4.350 0.001 0.000 0.197 146 E C 1.803 178.600 176.600 0.329 0.000 1.004 146 E CA 1.655 58.288 56.400 0.389 0.000 0.805 146 E CB -0.363 29.506 29.700 0.281 0.000 0.744 146 E HN 0.484 nan 8.360 nan 0.000 0.451 147 H N -0.960 118.128 119.070 0.029 0.000 2.523 147 H HA -0.152 4.404 4.556 0.001 0.000 0.296 147 H C 0.226 175.554 175.328 -0.001 0.000 1.106 147 H CA 0.946 56.981 56.048 -0.022 0.000 1.230 147 H CB -0.284 29.402 29.762 -0.127 0.000 1.359 147 H HN 0.165 nan 8.280 nan 0.000 0.552 148 L N -1.283 120.047 121.223 0.178 0.000 2.420 148 L HA 0.324 4.665 4.340 0.001 0.000 0.260 148 L C 0.211 177.221 176.870 0.234 0.000 1.508 148 L CA -0.668 54.265 54.840 0.155 0.000 0.835 148 L CB 0.827 42.936 42.059 0.083 0.000 1.018 148 L HN -0.060 nan 8.230 nan 0.000 0.520 149 R N -1.572 119.083 120.500 0.257 0.000 2.694 149 R HA 0.357 4.697 4.340 0.001 0.000 0.334 149 R C -0.054 176.347 176.300 0.169 0.000 1.143 149 R CA -0.344 55.901 56.100 0.242 0.000 1.073 149 R CB 0.110 30.575 30.300 0.275 0.000 1.366 149 R HN 0.462 nan 8.270 nan 0.000 0.577 150 E N 0.451 120.729 120.200 0.131 0.000 2.481 150 E HA 0.083 4.434 4.350 0.001 0.000 0.195 150 E C 0.129 176.772 176.600 0.072 0.000 1.047 150 E CA 0.315 56.773 56.400 0.096 0.000 0.867 150 E CB 0.230 29.977 29.700 0.078 0.000 0.858 150 E HN 0.265 nan 8.360 nan 0.000 0.513 151 M N 0.827 120.458 119.600 0.052 0.000 2.243 151 M HA 0.239 4.720 4.480 0.001 0.000 0.341 151 M C 0.460 176.695 176.300 -0.108 0.000 1.130 151 M CA -0.552 54.735 55.300 -0.021 0.000 1.162 151 M CB 0.346 32.923 32.600 -0.037 0.000 1.497 151 M HN -0.030 nan 8.290 nan 0.000 0.456 152 A N 2.612 125.375 122.820 -0.095 0.000 2.346 152 A HA 0.436 4.757 4.320 0.001 0.000 0.252 152 A C -0.521 176.914 177.584 -0.247 0.000 1.089 152 A CA -0.121 51.878 52.037 -0.063 0.000 0.797 152 A CB 0.073 19.068 19.000 -0.008 0.000 1.047 152 A HN 0.850 nan 8.150 nan 0.000 0.494 153 H N -0.413 118.673 119.070 0.027 0.000 2.670 153 H HA 0.558 5.114 4.556 0.001 0.000 0.361 153 H C -2.419 172.918 175.328 0.016 0.000 1.169 153 H CA -1.461 54.604 56.048 0.029 0.000 1.198 153 H CB 0.785 30.565 29.762 0.030 0.000 1.700 153 H HN 0.453 nan 8.280 nan 0.000 0.542 154 P HA 0.211 nan 4.420 nan 0.000 0.274 154 P C -1.106 176.256 177.300 0.103 0.000 1.246 154 P CA -0.572 62.627 63.100 0.167 0.000 0.795 154 P CB 0.886 32.658 31.700 0.119 0.000 1.006 155 L N 1.094 122.411 121.223 0.156 0.000 2.431 155 L HA 0.589 4.929 4.340 0.001 0.000 0.266 155 L C -1.419 175.550 176.870 0.165 0.000 0.978 155 L CA -0.682 54.212 54.840 0.090 0.000 0.822 155 L CB 1.378 43.466 42.059 0.050 0.000 1.310 155 L HN 0.206 nan 8.230 nan 0.000 0.409 156 I N 4.574 125.193 120.570 0.081 0.000 2.382 156 I HA 0.309 4.480 4.170 0.001 0.000 0.286 156 I C -1.092 175.059 176.117 0.056 0.000 1.002 156 I CA -0.303 61.059 61.300 0.104 0.000 1.135 156 I CB 1.566 39.537 38.000 -0.048 0.000 1.288 156 I HN 0.458 nan 8.210 nan 0.000 0.448 157 F N 7.861 127.808 119.950 -0.004 0.000 2.420 157 F HA 0.646 5.173 4.527 0.001 0.000 0.342 157 F C -0.485 175.152 175.800 -0.272 0.000 1.113 157 F CA -0.452 57.480 58.000 -0.113 0.000 1.059 157 F CB 0.857 39.831 39.000 -0.042 0.000 1.128 157 F HN 0.208 nan 8.300 nan 0.000 0.475 158 I N 4.986 125.306 120.570 -0.415 0.000 2.447 158 I HA 0.186 4.357 4.170 0.001 0.000 0.287 158 I C -1.324 174.630 176.117 -0.272 0.000 1.023 158 I CA -0.853 60.306 61.300 -0.236 0.000 1.083 158 I CB 1.853 39.767 38.000 -0.143 0.000 1.245 158 I HN 0.453 nan 8.210 nan 0.000 0.434 159 D N 5.234 125.545 120.400 -0.149 0.000 2.347 159 D HA 0.192 4.833 4.640 0.001 0.000 0.235 159 D C -0.058 176.174 176.300 -0.113 0.000 1.149 159 D CA 0.107 54.060 54.000 -0.078 0.000 0.850 159 D CB 0.936 41.778 40.800 0.071 0.000 1.061 159 D HN 0.391 nan 8.370 nan 0.000 0.487 160 D N 2.776 123.028 120.400 -0.248 0.000 2.479 160 D HA 0.172 4.812 4.640 0.001 0.000 0.218 160 D C 0.771 176.708 176.300 -0.605 0.000 1.177 160 D CA 0.024 53.826 54.000 -0.329 0.000 0.830 160 D CB 1.208 41.969 40.800 -0.065 0.000 1.014 160 D HN 0.452 nan 8.370 nan 0.000 0.503 161 A N -0.249 122.194 122.820 -0.627 0.000 2.013 161 A HA 0.081 4.402 4.320 0.001 0.000 0.204 161 A C 0.452 177.940 177.584 -0.161 0.000 1.262 161 A CA 0.473 52.340 52.037 -0.283 0.000 0.800 161 A CB -0.308 18.663 19.000 -0.048 0.000 0.909 161 A HN 0.318 nan 8.150 nan 0.000 0.472 162 H N -1.697 117.507 119.070 0.223 0.000 2.936 162 H HA -0.143 4.414 4.556 0.001 0.000 0.276 162 H C 0.198 175.744 175.328 0.364 0.000 1.216 162 H CA 0.187 56.439 56.048 0.340 0.000 1.132 162 H CB -2.007 27.920 29.762 0.275 0.000 1.303 162 H HN 0.770 nan 8.280 nan 0.000 0.370 163 A N 1.063 124.073 122.820 0.317 0.000 2.303 163 A HA 0.537 4.857 4.320 0.001 0.000 0.320 163 A C 0.927 178.648 177.584 0.228 0.000 1.192 163 A CA 0.088 52.278 52.037 0.255 0.000 0.821 163 A CB 0.738 19.848 19.000 0.184 0.000 1.188 163 A HN 0.610 nan 8.150 nan 0.000 0.492 164 N N 1.740 120.562 118.700 0.204 0.000 2.740 164 N HA -0.195 4.545 4.740 0.001 0.000 0.248 164 N C 0.689 176.316 175.510 0.196 0.000 1.062 164 N CA 0.724 53.879 53.050 0.175 0.000 0.704 164 N CB -0.431 38.145 38.487 0.148 0.000 0.968 164 N HN 0.727 nan 8.380 nan 0.000 0.547 165 T N -0.619 114.074 114.554 0.233 0.000 2.777 165 T HA -0.094 4.256 4.350 0.001 0.000 0.266 165 T C 1.305 176.061 174.700 0.092 0.000 1.040 165 T CA 1.382 63.624 62.100 0.237 0.000 1.141 165 T CB -0.264 68.839 68.868 0.391 0.000 0.868 165 T HN 0.329 nan 8.240 nan 0.000 0.444 166 F N 1.946 121.952 119.950 0.094 0.000 2.146 166 F HA -0.030 4.498 4.527 0.001 0.000 0.298 166 F C 2.500 178.334 175.800 0.058 0.000 1.096 166 F CA 0.666 58.686 58.000 0.034 0.000 1.275 166 F CB -0.402 38.610 39.000 0.020 0.000 1.008 166 F HN 0.063 nan 8.300 nan 0.000 0.480 167 N N 0.597 119.426 118.700 0.215 0.000 2.104 167 N HA -0.171 4.569 4.740 0.001 0.000 0.190 167 N C 1.966 177.557 175.510 0.134 0.000 1.024 167 N CA 1.376 54.517 53.050 0.152 0.000 0.853 167 N CB -0.490 38.067 38.487 0.118 0.000 1.008 167 N HN 0.259 nan 8.380 nan 0.000 0.424 168 I N 0.578 121.202 120.570 0.090 0.000 2.286 168 I HA -0.224 3.946 4.170 0.001 0.000 0.248 168 I C 2.418 178.517 176.117 -0.030 0.000 1.115 168 I CA 0.779 62.079 61.300 0.000 0.000 1.392 168 I CB -0.101 37.883 38.000 -0.027 0.000 1.065 168 I HN 0.139 nan 8.210 nan 0.000 0.418 169 M N 0.675 120.178 119.600 -0.162 0.000 2.175 169 M HA -0.233 4.247 4.480 0.001 0.000 0.264 169 M C 2.365 178.569 176.300 -0.161 0.000 1.063 169 M CA 1.714 56.634 55.300 -0.633 0.000 1.119 169 M CB -0.111 31.892 32.600 -0.994 0.000 1.377 169 M HN 0.053 nan 8.290 nan 0.000 0.415 170 K N -0.546 119.951 120.400 0.162 0.000 2.002 170 K HA -0.270 4.051 4.320 0.001 0.000 0.209 170 K C 1.900 178.578 176.600 0.131 0.000 1.048 170 K CA 2.109 58.518 56.287 0.203 0.000 0.930 170 K CB -0.665 31.921 32.500 0.144 0.000 0.714 170 K HN 0.580 nan 8.250 nan 0.000 0.438 171 W N 1.336 122.645 121.300 0.014 0.000 2.335 171 W HA -0.241 4.420 4.660 0.001 0.000 0.311 171 W C 2.017 178.584 176.519 0.079 0.000 1.213 171 W CA 2.655 60.057 57.345 0.095 0.000 1.274 171 W CB -0.487 28.965 29.460 -0.013 0.000 1.148 171 W HN 0.244 nan 8.180 nan 0.000 0.498 172 A N -0.118 122.734 122.820 0.053 0.000 1.940 172 A HA -0.212 4.109 4.320 0.001 0.000 0.219 172 A C 2.002 179.413 177.584 -0.288 0.000 1.176 172 A CA 2.400 54.296 52.037 -0.235 0.000 0.631 172 A CB -1.217 17.677 19.000 -0.178 0.000 0.814 172 A HN 0.251 nan 8.150 nan 0.000 0.446 173 V N 0.223 120.015 119.914 -0.202 0.000 2.453 173 V HA -0.182 3.939 4.120 0.001 0.000 0.247 173 V C 2.054 178.012 176.094 -0.227 0.000 1.048 173 V CA 2.196 64.403 62.300 -0.155 0.000 1.049 173 V CB -0.600 31.198 31.823 -0.043 0.000 0.672 173 V HN 0.502 nan 8.190 nan 0.000 0.457 174 D N -1.047 119.168 120.400 -0.309 0.000 2.162 174 D HA -0.068 4.572 4.640 0.001 0.000 0.203 174 D C 1.848 177.768 176.300 -0.633 0.000 0.967 174 D CA 1.358 55.071 54.000 -0.478 0.000 0.840 174 D CB 0.008 40.445 40.800 -0.605 0.000 0.972 174 D HN 0.590 nan 8.370 nan 0.000 0.482 175 H N -1.570 117.160 119.070 -0.567 0.000 2.874 175 H HA 0.263 4.820 4.556 0.001 0.000 0.264 175 H C 1.190 176.219 175.328 -0.498 0.000 1.007 175 H CA 0.040 55.720 56.048 -0.612 0.000 1.207 175 H CB 1.228 30.361 29.762 -1.049 0.000 1.487 175 H HN -0.047 nan 8.280 nan 0.000 0.505 176 L N -0.630 120.369 121.223 -0.373 0.000 2.638 176 L HA 0.341 4.681 4.340 0.001 0.000 0.195 176 L C -0.497 176.400 176.870 0.046 0.000 1.065 176 L CA 0.495 55.261 54.840 -0.123 0.000 0.859 176 L CB 0.538 42.511 42.059 -0.143 0.000 1.269 176 L HN -0.014 nan 8.230 nan 0.000 0.484 177 L N 1.843 123.046 121.223 -0.035 0.000 2.283 177 L HA 0.244 4.585 4.340 0.001 0.000 0.287 177 L C 0.038 176.863 176.870 -0.076 0.000 1.073 177 L CA -0.073 54.781 54.840 0.023 0.000 0.822 177 L CB 0.593 42.667 42.059 0.025 0.000 1.186 177 L HN 0.189 nan 8.230 nan 0.000 0.436 178 E N 2.339 122.451 120.200 -0.147 0.000 2.371 178 E HA 0.078 4.428 4.350 0.001 0.000 0.257 178 E C -0.084 176.461 176.600 -0.091 0.000 1.134 178 E CA -0.600 55.684 56.400 -0.194 0.000 0.919 178 E CB 0.895 30.377 29.700 -0.363 0.000 1.025 178 E HN 0.516 nan 8.360 nan 0.000 0.438 179 E N 0.083 120.231 120.200 -0.087 0.000 2.502 179 E HA -0.064 4.287 4.350 0.001 0.000 0.261 179 E C 0.657 177.234 176.600 -0.039 0.000 0.974 179 E CA 0.896 57.260 56.400 -0.061 0.000 0.936 179 E CB 0.093 29.759 29.700 -0.057 0.000 0.926 179 E HN 0.678 nan 8.360 nan 0.000 0.459 180 G N 3.845 112.615 108.800 -0.049 0.000 2.336 180 G HA2 -0.251 3.709 3.960 0.001 0.000 0.233 180 G HA3 -0.251 3.709 3.960 0.001 0.000 0.233 180 G C -0.139 174.745 174.900 -0.027 0.000 1.053 180 G CA 0.140 45.221 45.100 -0.033 0.000 0.625 180 G HN 0.688 nan 8.290 nan 0.000 0.511 181 D N 0.406 120.824 120.400 0.030 0.000 2.423 181 D HA 0.473 5.114 4.640 0.001 0.000 0.238 181 D C 0.167 176.499 176.300 0.053 0.000 1.142 181 D CA 0.392 54.470 54.000 0.130 0.000 0.884 181 D CB 0.306 41.213 40.800 0.178 0.000 1.199 181 D HN 0.293 nan 8.370 nan 0.000 0.438 182 Y N 0.262 120.660 120.300 0.164 0.000 2.419 182 Y HA 0.448 4.999 4.550 0.001 0.000 0.328 182 Y C -0.317 175.748 175.900 0.274 0.000 1.162 182 Y CA -0.860 57.354 58.100 0.191 0.000 1.174 182 Y CB 1.327 39.884 38.460 0.162 0.000 1.228 182 Y HN 0.228 nan 8.280 nan 0.000 0.473 183 F N 4.057 124.162 119.950 0.260 0.000 2.553 183 F HA 0.612 5.140 4.527 0.001 0.000 0.335 183 F C -1.537 174.400 175.800 0.229 0.000 1.148 183 F CA -0.730 57.406 58.000 0.227 0.000 0.963 183 F CB 0.498 39.535 39.000 0.062 0.000 1.217 183 F HN 0.289 nan 8.300 nan 0.000 0.441 184 I N 7.063 127.689 120.570 0.093 0.000 2.378 184 I HA 0.396 4.567 4.170 0.001 0.000 0.291 184 I C -0.664 175.515 176.117 0.103 0.000 0.992 184 I CA -0.573 60.831 61.300 0.173 0.000 1.154 184 I CB 1.921 40.044 38.000 0.205 0.000 1.315 184 I HN 0.436 nan 8.210 nan 0.000 0.448 185 I N 6.251 126.939 120.570 0.197 0.000 2.328 185 I HA 0.256 4.427 4.170 0.001 0.000 0.287 185 I C 0.027 176.240 176.117 0.160 0.000 1.012 185 I CA -0.452 60.975 61.300 0.211 0.000 1.195 185 I CB 0.679 38.843 38.000 0.273 0.000 1.350 185 I HN 0.540 nan 8.210 nan 0.000 0.464 186 E N 6.002 126.325 120.200 0.205 0.000 2.331 186 E HA 0.104 4.454 4.350 0.001 0.000 0.272 186 E C -0.155 176.461 176.600 0.026 0.000 1.036 186 E CA -0.249 56.243 56.400 0.152 0.000 0.864 186 E CB 0.855 30.676 29.700 0.201 0.000 1.035 186 E HN 0.594 nan 8.360 nan 0.000 0.408 187 D N 0.862 121.245 120.400 -0.029 0.000 2.719 187 D HA -0.271 4.370 4.640 0.001 0.000 0.170 187 D C 1.128 177.352 176.300 -0.126 0.000 1.631 187 D CA 1.896 55.856 54.000 -0.067 0.000 1.883 187 D CB -0.624 40.125 40.800 -0.085 0.000 1.378 187 D HN 0.416 nan 8.370 nan 0.000 0.448 188 M N 0.265 119.635 119.600 -0.383 0.000 2.486 188 M HA 0.285 4.766 4.480 0.001 0.000 0.264 188 M C 2.193 178.065 176.300 -0.712 0.000 1.125 188 M CA 0.585 55.459 55.300 -0.709 0.000 1.144 188 M CB 0.258 32.024 32.600 -1.389 0.000 1.353 188 M HN 0.117 nan 8.290 nan 0.000 0.466 189 I N 0.471 120.795 120.570 -0.410 0.000 2.179 189 I HA -0.215 3.955 4.170 0.001 0.000 0.242 189 I C -0.810 175.111 176.117 -0.328 0.000 1.088 189 I CA 1.372 62.532 61.300 -0.234 0.000 1.357 189 I CB -1.359 36.671 38.000 0.050 0.000 1.051 189 I HN 0.172 nan 8.210 nan 0.000 0.409 190 P HA -0.214 nan 4.420 nan 0.000 0.216 190 P C 1.254 178.300 177.300 -0.423 0.000 1.154 190 P CA 1.775 64.668 63.100 -0.344 0.000 0.865 190 P CB -0.126 31.306 31.700 -0.448 0.000 0.789 191 Y N -2.823 117.292 120.300 -0.308 0.000 2.220 191 Y HA -0.158 4.392 4.550 0.001 0.000 0.291 191 Y C 2.399 178.199 175.900 -0.167 0.000 1.129 191 Y CA 0.700 58.601 58.100 -0.332 0.000 1.161 191 Y CB -0.936 37.408 38.460 -0.192 0.000 0.997 191 Y HN -0.009 nan 8.280 nan 0.000 0.522 192 W N -1.233 120.071 121.300 0.006 0.000 2.388 192 W HA -0.224 4.436 4.660 0.001 0.000 0.294 192 W C 2.365 178.788 176.519 -0.160 0.000 1.212 192 W CA 0.777 58.124 57.345 0.003 0.000 1.271 192 W CB -1.527 27.960 29.460 0.045 0.000 1.126 192 W HN 0.168 nan 8.180 nan 0.000 0.535 193 Y N 1.356 121.435 120.300 -0.368 0.000 2.242 193 Y HA -0.196 4.354 4.550 0.001 0.000 0.291 193 Y C 2.782 178.598 175.900 -0.140 0.000 1.137 193 Y CA 2.296 60.221 58.100 -0.293 0.000 1.181 193 Y CB -0.686 37.560 38.460 -0.356 0.000 0.989 193 Y HN -0.105 nan 8.280 nan 0.000 0.527 194 R N -1.230 119.080 120.500 -0.317 0.000 2.075 194 R HA -0.187 4.153 4.340 0.001 0.000 0.232 194 R C 1.892 178.006 176.300 -0.311 0.000 1.126 194 R CA 2.043 57.879 56.100 -0.439 0.000 0.963 194 R CB -0.522 29.427 30.300 -0.584 0.000 0.858 194 R HN 0.496 nan 8.270 nan 0.000 0.435 195 Y N -1.373 118.932 120.300 0.008 0.000 2.301 195 Y HA 0.222 4.772 4.550 0.001 0.000 0.295 195 Y C 0.963 176.871 175.900 0.013 0.000 1.119 195 Y CA 0.056 58.179 58.100 0.039 0.000 1.162 195 Y CB 0.467 39.000 38.460 0.121 0.000 1.046 195 Y HN 0.104 nan 8.280 nan 0.000 0.538 196 A N 0.609 123.532 122.820 0.171 0.000 3.159 196 A HA 0.315 4.635 4.320 0.001 0.000 0.330 196 A C -2.121 175.520 177.584 0.095 0.000 1.032 196 A CA -1.163 50.933 52.037 0.099 0.000 0.841 196 A CB -0.022 19.032 19.000 0.089 0.000 1.093 196 A HN 0.001 nan 8.150 nan 0.000 0.478 197 P HA -0.206 nan 4.420 nan 0.000 0.217 197 P C 1.408 178.800 177.300 0.153 0.000 1.151 197 P CA 1.117 64.223 63.100 0.010 0.000 0.828 197 P CB 0.389 31.929 31.700 -0.266 0.000 0.788 198 Q N -0.110 119.721 119.800 0.053 0.000 2.016 198 Q HA -0.093 4.248 4.340 0.001 0.000 0.200 198 Q C 2.443 178.428 176.000 -0.025 0.000 0.978 198 Q CA 1.361 57.181 55.803 0.029 0.000 0.833 198 Q CB -0.792 27.943 28.738 -0.005 0.000 0.895 198 Q HN 0.113 nan 8.270 nan 0.000 0.427 199 L N -0.238 120.920 121.223 -0.109 0.000 2.046 199 L HA -0.141 4.199 4.340 0.001 0.000 0.208 199 L C 2.276 178.881 176.870 -0.441 0.000 1.077 199 L CA 1.020 55.634 54.840 -0.376 0.000 0.747 199 L CB -0.341 41.430 42.059 -0.481 0.000 0.896 199 L HN 0.363 nan 8.230 nan 0.000 0.432 200 F N 0.014 119.830 119.950 -0.224 0.000 2.102 200 F HA -0.238 4.290 4.527 0.001 0.000 0.298 200 F C 2.627 178.451 175.800 0.040 0.000 1.105 200 F CA 1.840 59.802 58.000 -0.063 0.000 1.239 200 F CB -0.313 38.818 39.000 0.218 0.000 0.991 200 F HN -0.083 nan 8.300 nan 0.000 0.474 201 S N -0.116 115.624 115.700 0.068 0.000 2.383 201 S HA -0.236 4.235 4.470 0.001 0.000 0.229 201 S C 2.041 176.602 174.600 -0.065 0.000 1.030 201 S CA 1.436 59.642 58.200 0.009 0.000 1.002 201 S CB -0.492 62.806 63.200 0.164 0.000 0.829 201 S HN 0.560 nan 8.310 nan 0.000 0.467 202 E N -0.157 120.014 120.200 -0.048 0.000 2.107 202 E HA -0.101 4.250 4.350 0.001 0.000 0.191 202 E C 1.520 178.170 176.600 0.082 0.000 0.982 202 E CA 0.783 57.190 56.400 0.012 0.000 0.809 202 E CB -0.124 29.587 29.700 0.018 0.000 0.756 202 E HN 0.706 nan 8.360 nan 0.000 0.459 203 Y N 0.153 120.300 120.300 -0.255 0.000 2.263 203 Y HA -0.105 4.446 4.550 0.001 0.000 0.292 203 Y C 2.466 178.296 175.900 -0.118 0.000 1.130 203 Y CA 0.139 58.031 58.100 -0.347 0.000 1.179 203 Y CB 0.250 38.166 38.460 -0.907 0.000 0.998 203 Y HN 0.107 nan 8.280 nan 0.000 0.532 204 L N -0.951 120.230 121.223 -0.070 0.000 2.179 204 L HA -0.069 4.272 4.340 0.001 0.000 0.208 204 L C 2.366 179.319 176.870 0.138 0.000 1.096 204 L CA 1.200 56.056 54.840 0.025 0.000 0.779 204 L CB -0.583 41.293 42.059 -0.305 0.000 0.922 204 L HN 0.254 nan 8.230 nan 0.000 0.443 205 G N -1.205 107.636 108.800 0.069 0.000 2.572 205 G HA2 -0.129 3.831 3.960 0.001 0.000 0.216 205 G HA3 -0.129 3.831 3.960 0.001 0.000 0.216 205 G C 1.578 176.523 174.900 0.076 0.000 1.133 205 G CA 0.561 45.701 45.100 0.066 0.000 0.791 205 G HN 0.459 nan 8.290 nan 0.000 0.538 206 A N 0.248 123.123 122.820 0.092 0.000 2.121 206 A HA 0.240 4.560 4.320 0.001 0.000 0.218 206 A C 1.272 178.754 177.584 -0.170 0.000 1.154 206 A CA 0.494 52.495 52.037 -0.060 0.000 0.679 206 A CB -0.361 18.546 19.000 -0.155 0.000 0.795 206 A HN 0.290 nan 8.150 nan 0.000 0.458 207 F N -0.257 119.673 119.950 -0.034 0.000 2.730 207 F HA 0.205 4.732 4.527 0.001 0.000 0.295 207 F C 1.919 177.695 175.800 -0.041 0.000 1.143 207 F CA -0.174 57.800 58.000 -0.043 0.000 1.367 207 F CB 0.021 38.999 39.000 -0.037 0.000 0.970 207 F HN 0.319 nan 8.300 nan 0.000 0.514 208 R N 0.086 120.640 120.500 0.091 0.000 2.148 208 R HA -0.083 4.257 4.340 0.001 0.000 0.227 208 R C 0.403 176.717 176.300 0.023 0.000 1.103 208 R CA 1.742 57.874 56.100 0.053 0.000 0.983 208 R CB -0.308 30.008 30.300 0.027 0.000 0.874 208 R HN 0.150 nan 8.270 nan 0.000 0.451 209 D N 0.896 121.296 120.400 -0.001 0.000 2.339 209 D HA 0.014 4.654 4.640 0.001 0.000 0.217 209 D C 1.541 177.829 176.300 -0.020 0.000 1.050 209 D CA 0.730 54.719 54.000 -0.019 0.000 0.856 209 D CB 1.132 41.909 40.800 -0.039 0.000 0.922 209 D HN 0.338 nan 8.370 nan 0.000 0.518 210 V N -2.947 116.969 119.914 0.003 0.000 3.371 210 V HA 0.321 4.441 4.120 0.001 0.000 0.246 210 V C 0.635 176.736 176.094 0.011 0.000 1.303 210 V CA -0.105 62.194 62.300 -0.002 0.000 1.156 210 V CB 0.606 32.428 31.823 -0.002 0.000 0.929 210 V HN -0.145 nan 8.190 nan 0.000 0.459 211 L N 1.656 122.906 121.223 0.045 0.000 2.323 211 L HA 0.870 5.211 4.340 0.001 0.000 0.265 211 L C -0.253 176.627 176.870 0.017 0.000 1.012 211 L CA -0.158 54.693 54.840 0.018 0.000 0.820 211 L CB 2.298 44.361 42.059 0.006 0.000 1.334 211 L HN 0.422 nan 8.230 nan 0.000 0.427 212 S N 0.953 116.653 115.700 -0.000 0.000 2.651 212 S HA 0.666 5.136 4.470 0.001 0.000 0.279 212 S C -0.855 173.758 174.600 0.022 0.000 1.148 212 S CA -0.883 57.322 58.200 0.008 0.000 0.837 212 S CB 2.007 65.204 63.200 -0.006 0.000 1.138 212 S HN 0.626 nan 8.310 nan 0.000 0.478 213 M N 2.426 122.047 119.600 0.036 0.000 2.113 213 M HA 0.346 4.827 4.480 0.001 0.000 0.352 213 M C -1.022 175.314 176.300 0.061 0.000 1.170 213 M CA -0.292 55.046 55.300 0.063 0.000 1.053 213 M CB 0.686 33.323 32.600 0.063 0.000 1.601 213 M HN 0.792 nan 8.290 nan 0.000 0.459 214 D N 5.611 126.075 120.400 0.107 0.000 2.383 214 D HA 0.072 4.713 4.640 0.001 0.000 0.245 214 D C 0.782 177.122 176.300 0.067 0.000 1.263 214 D CA -0.020 54.047 54.000 0.111 0.000 0.936 214 D CB 0.674 41.641 40.800 0.278 0.000 1.053 214 D HN 0.664 nan 8.370 nan 0.000 0.507 215 M N 3.422 123.025 119.600 0.006 0.000 2.476 215 M HA -0.089 4.391 4.480 0.001 0.000 0.262 215 M C 1.672 177.932 176.300 -0.065 0.000 1.079 215 M CA 0.314 55.606 55.300 -0.014 0.000 1.104 215 M CB -0.551 32.039 32.600 -0.016 0.000 1.409 215 M HN 0.392 nan 8.290 nan 0.000 0.467 216 L N -0.622 120.500 121.223 -0.169 0.000 2.141 216 L HA -0.145 4.196 4.340 0.001 0.000 0.209 216 L C 1.561 178.225 176.870 -0.343 0.000 1.094 216 L CA 1.972 56.611 54.840 -0.335 0.000 0.763 216 L CB -0.457 41.245 42.059 -0.595 0.000 0.908 216 L HN 0.272 nan 8.230 nan 0.000 0.437 217 Y N -2.685 117.643 120.300 0.046 0.000 2.444 217 Y HA 0.348 4.898 4.550 0.001 0.000 0.252 217 Y C 2.182 178.081 175.900 -0.001 0.000 1.091 217 Y CA 0.131 58.237 58.100 0.010 0.000 1.276 217 Y CB -0.201 38.254 38.460 -0.009 0.000 1.170 217 Y HN 0.109 nan 8.280 nan 0.000 0.517 218 A N 0.356 123.259 122.820 0.139 0.000 2.119 218 A HA -0.087 4.234 4.320 0.001 0.000 0.217 218 A C 1.341 178.955 177.584 0.050 0.000 1.153 218 A CA 1.296 53.390 52.037 0.095 0.000 0.692 218 A CB -0.268 18.784 19.000 0.086 0.000 0.799 218 A HN 0.315 nan 8.150 nan 0.000 0.458 219 N N -1.089 117.635 118.700 0.040 0.000 2.200 219 N HA 0.295 5.035 4.740 0.001 0.000 0.224 219 N C 0.864 176.384 175.510 0.017 0.000 1.179 219 N CA 0.754 53.815 53.050 0.018 0.000 0.877 219 N CB 0.773 39.265 38.487 0.008 0.000 1.072 219 N HN 0.387 nan 8.380 nan 0.000 0.519 220 A N -0.084 122.755 122.820 0.033 0.000 2.267 220 A HA 0.252 4.573 4.320 0.001 0.000 0.213 220 A C 0.846 178.433 177.584 0.004 0.000 1.192 220 A CA 0.193 52.249 52.037 0.032 0.000 0.851 220 A CB 0.257 19.304 19.000 0.079 0.000 0.881 220 A HN 0.171 nan 8.150 nan 0.000 0.494 221 S N -1.656 114.038 115.700 -0.011 0.000 2.570 221 S HA 0.403 4.873 4.470 0.001 0.000 0.270 221 S C 0.665 175.249 174.600 -0.026 0.000 1.149 221 S CA 0.452 58.635 58.200 -0.029 0.000 0.837 221 S CB 1.084 64.251 63.200 -0.055 0.000 1.124 221 S HN 0.761 nan 8.310 nan 0.000 0.465 222 S N 1.376 117.062 115.700 -0.024 0.000 2.436 222 S HA -0.053 4.417 4.470 0.001 0.000 0.228 222 S C 1.373 175.962 174.600 -0.017 0.000 1.014 222 S CA 0.931 59.118 58.200 -0.022 0.000 0.950 222 S CB -0.588 62.605 63.200 -0.012 0.000 0.784 222 S HN 0.760 nan 8.310 nan 0.000 0.504 223 Q N 0.330 120.124 119.800 -0.009 0.000 2.212 223 Q HA 0.261 4.602 4.340 0.001 0.000 0.199 223 Q C 1.938 177.943 176.000 0.008 0.000 0.950 223 Q CA 0.981 56.789 55.803 0.009 0.000 0.863 223 Q CB -0.167 28.583 28.738 0.021 0.000 0.944 223 Q HN 0.540 nan 8.270 nan 0.000 0.465 224 L N 0.676 121.891 121.223 -0.012 0.000 2.509 224 L HA 0.072 4.412 4.340 0.001 0.000 0.222 224 L C 0.406 177.279 176.870 0.005 0.000 1.123 224 L CA -0.357 54.478 54.840 -0.009 0.000 0.856 224 L CB -0.203 41.809 42.059 -0.078 0.000 0.985 224 L HN 0.136 nan 8.230 nan 0.000 0.456 225 D N 2.200 122.594 120.400 -0.011 0.000 3.061 225 D HA -0.174 4.466 4.640 0.001 0.000 0.226 225 D C 0.635 176.932 176.300 -0.004 0.000 1.168 225 D CA 0.714 54.705 54.000 -0.015 0.000 0.822 225 D CB 0.206 40.980 40.800 -0.045 0.000 1.152 225 D HN 0.131 nan 8.370 nan 0.000 0.555 226 R N 1.796 122.310 120.500 0.022 0.000 3.770 226 R HA -0.174 4.166 4.340 0.001 0.000 0.305 226 R C 0.939 177.297 176.300 0.096 0.000 1.184 226 R CA 0.846 56.974 56.100 0.046 0.000 0.823 226 R CB -1.840 28.468 30.300 0.013 0.000 1.285 226 R HN 0.550 nan 8.270 nan 0.000 0.499 227 G N -0.711 108.151 108.800 0.103 0.000 3.443 227 G HA2 0.285 4.246 3.960 0.001 0.000 0.252 227 G HA3 0.285 4.246 3.960 0.001 0.000 0.252 227 G C 0.042 175.048 174.900 0.176 0.000 1.015 227 G CA -0.045 45.142 45.100 0.146 0.000 0.891 227 G HN 0.064 nan 8.290 nan 0.000 0.510 228 V N 2.739 122.755 119.914 0.171 0.000 2.389 228 V HA 0.469 4.589 4.120 0.001 0.000 0.264 228 V C -0.108 176.143 176.094 0.262 0.000 1.049 228 V CA -0.118 62.328 62.300 0.243 0.000 0.932 228 V CB 0.606 32.579 31.823 0.250 0.000 1.011 228 V HN 0.149 nan 8.190 nan 0.000 0.475 229 L N 6.419 127.813 121.223 0.285 0.000 2.354 229 L HA 0.843 5.183 4.340 0.001 0.000 0.269 229 L C -0.050 176.871 176.870 0.085 0.000 1.005 229 L CA -0.872 54.071 54.840 0.171 0.000 0.819 229 L CB 2.155 44.301 42.059 0.145 0.000 1.311 229 L HN 0.739 nan 8.230 nan 0.000 0.423 230 R N 0.532 120.980 120.500 -0.087 0.000 2.774 230 R HA 0.664 5.004 4.340 0.001 0.000 0.272 230 R C -1.086 175.128 176.300 -0.143 0.000 1.000 230 R CA -1.161 54.778 56.100 -0.269 0.000 0.906 230 R CB 1.715 31.569 30.300 -0.744 0.000 1.227 230 R HN 0.455 nan 8.270 nan 0.000 0.468 231 R N 1.568 121.993 120.500 -0.126 0.000 2.296 231 R HA 0.256 4.596 4.340 0.001 0.000 0.323 231 R C -1.026 175.227 176.300 -0.078 0.000 1.067 231 R CA -0.206 55.849 56.100 -0.076 0.000 0.946 231 R CB 0.842 31.108 30.300 -0.057 0.000 0.991 231 R HN 0.491 nan 8.270 nan 0.000 0.448 232 V N 4.532 124.411 119.914 -0.058 0.000 2.567 232 V HA 0.424 4.544 4.120 0.001 0.000 0.289 232 V C 0.348 176.414 176.094 -0.047 0.000 1.049 232 V CA -0.651 61.620 62.300 -0.049 0.000 0.969 232 V CB 1.383 33.184 31.823 -0.037 0.000 0.995 232 V HN 1.033 nan 8.190 nan 0.000 0.471 233 A N 3.830 126.623 122.820 -0.044 0.000 2.573 233 A HA 0.509 4.830 4.320 0.001 0.000 0.250 233 A C 0.487 178.042 177.584 -0.047 0.000 1.049 233 A CA 1.001 53.010 52.037 -0.046 0.000 0.767 233 A CB -0.482 18.494 19.000 -0.039 0.000 0.965 233 A HN 1.678 nan 8.150 nan 0.000 0.514 234 A N 0.000 122.786 122.820 -0.056 0.000 2.254 234 A HA 0.000 4.320 4.320 0.001 0.000 0.244 234 A CA 0.000 52.002 52.037 -0.059 0.000 0.836 234 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 234 A HN 0.000 nan 8.150 nan 0.000 0.486