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 2uvh_1_A DATA FIRST_RESID 27 DATA SEQUENCE EVNLRMSWWG GNGRHQVTLK ALEEFHKQHP NINVKAEYTG WDGHLSRLTT DATA SEQUENCE QIAGGTEPDV MQTNWNWLPI FSKDGTGFYN LFSVKEQLDL AQFDPKELQQ DATA SEQUENCE TTVNGKLNGI PISVTARIFY FNDATWAKAG LEYPKTWDEL LAAGKVFKEK DATA SEQUENCE LGDQYYPVVL EHQDTLALIR SYMTQKYNIP TIDEANKKFA YSPEQWVEFF DATA SEQUENCE TMYKTMVDNH VMPSTKYYAS FGKSNMYEMK PWINGEWAGT YMWNSTITKY DATA SEQUENCE SDNLTKPAKL VLGPYPMLPG AKDAGLFFKP AQMLSIGKST KHPQESAMLI DATA SEQUENCE NFLLNSKEGV EALGLERGVP LSATAVTQLR ASGVIKDEDP SVAGLNMALE DATA SEQUENCE LPHKMTTSPY FDDPQIVSLF GDAIQYIDYG QKTVQETAEY FNKQGDRILK DATA SEQUENCE RAMR 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 27 E HA 0.000 nan 4.350 nan 0.000 0.291 27 E C 0.000 176.552 176.600 -0.080 0.000 1.382 27 E CA 0.000 56.377 56.400 -0.038 0.000 0.976 27 E CB 0.000 29.692 29.700 -0.013 0.000 0.812 28 V N 2.501 122.344 119.914 -0.119 0.000 2.444 28 V HA 0.423 4.539 4.120 -0.007 0.000 0.294 28 V C -0.362 175.632 176.094 -0.167 0.000 1.022 28 V CA -0.818 61.315 62.300 -0.279 0.000 0.850 28 V CB 1.761 33.349 31.823 -0.392 0.000 0.992 28 V HN 0.374 nan 8.190 nan 0.000 0.426 29 N N 5.692 124.308 118.700 -0.140 0.000 2.469 29 N HA 0.568 5.303 4.740 -0.007 0.000 0.253 29 N C -0.989 174.552 175.510 0.051 0.000 0.970 29 N CA -0.283 52.760 53.050 -0.011 0.000 0.940 29 N CB 2.346 40.849 38.487 0.027 0.000 1.128 29 N HN 0.518 nan 8.380 nan 0.000 0.503 30 L N 1.966 123.221 121.223 0.054 0.000 2.331 30 L HA 0.535 4.871 4.340 -0.007 0.000 0.275 30 L C 0.584 177.499 176.870 0.074 0.000 1.022 30 L CA -0.768 54.121 54.840 0.083 0.000 0.812 30 L CB 1.789 43.886 42.059 0.065 0.000 1.257 30 L HN 0.227 nan 8.230 nan 0.000 0.435 31 R N 3.006 123.551 120.500 0.075 0.000 2.664 31 R HA 0.688 5.024 4.340 -0.007 0.000 0.286 31 R C -0.939 175.417 176.300 0.093 0.000 0.967 31 R CA -0.694 55.450 56.100 0.073 0.000 0.933 31 R CB 2.576 32.907 30.300 0.052 0.000 1.146 31 R HN 0.555 nan 8.270 nan 0.000 0.468 32 M N 1.610 121.291 119.600 0.136 0.000 2.271 32 M HA 0.276 4.752 4.480 -0.007 0.000 0.285 32 M C -1.224 175.237 176.300 0.268 0.000 1.059 32 M CA -0.398 55.020 55.300 0.197 0.000 0.940 32 M CB 2.121 34.856 32.600 0.225 0.000 1.636 32 M HN 0.738 nan 8.290 nan 0.000 0.460 33 S N 3.237 119.103 115.700 0.277 0.000 2.638 33 S HA 0.923 5.389 4.470 -0.007 0.000 0.298 33 S C -1.214 173.700 174.600 0.524 0.000 1.111 33 S CA -0.593 57.790 58.200 0.305 0.000 1.027 33 S CB 1.272 64.625 63.200 0.256 0.000 1.064 33 S HN 0.874 nan 8.310 nan 0.000 0.525 34 W N -0.366 121.115 121.300 0.302 0.000 3.066 34 W HA 0.760 5.416 4.660 -0.006 0.000 0.330 34 W C -2.145 174.421 176.519 0.078 0.000 1.253 34 W CA -1.439 55.974 57.345 0.113 0.000 1.187 34 W CB -0.063 29.359 29.460 -0.063 0.000 1.434 34 W HN 0.929 nan 8.180 nan 0.000 0.572 35 W N 1.952 123.252 121.300 -0.001 0.000 2.762 35 W HA 0.938 5.594 4.660 -0.007 0.000 0.355 35 W C -0.119 176.625 176.519 0.374 0.000 1.124 35 W CA -0.775 56.578 57.345 0.014 0.000 1.141 35 W CB 1.442 30.794 29.460 -0.182 0.000 1.432 35 W HN 1.341 nan 8.180 nan 0.000 0.586 36 G N -0.175 108.908 108.800 0.472 0.000 2.356 36 G HA2 0.422 4.378 3.960 -0.007 0.000 0.288 36 G HA3 0.422 4.378 3.960 -0.007 0.000 0.288 36 G C -0.467 174.398 174.900 -0.059 0.000 1.302 36 G CA -0.422 44.777 45.100 0.166 0.000 0.887 36 G HN 1.206 nan 8.290 nan 0.000 0.521 37 G N -0.954 107.724 108.800 -0.203 0.000 2.621 37 G HA2 0.405 4.361 3.960 -0.007 0.000 0.271 37 G HA3 0.405 4.361 3.960 -0.007 0.000 0.271 37 G C 0.967 175.565 174.900 -0.502 0.000 1.236 37 G CA 0.656 45.611 45.100 -0.242 0.000 0.958 37 G HN 0.923 nan 8.290 nan 0.000 0.512 38 N N -0.373 118.208 118.700 -0.199 0.000 2.223 38 N HA -0.075 4.660 4.740 -0.007 0.000 0.185 38 N C 2.291 177.772 175.510 -0.048 0.000 1.016 38 N CA 2.106 55.130 53.050 -0.044 0.000 0.863 38 N CB -0.437 38.116 38.487 0.110 0.000 0.983 38 N HN 0.475 nan 8.380 nan 0.000 0.429 39 G N 0.431 109.182 108.800 -0.082 0.000 2.446 39 G HA2 -0.307 3.649 3.960 -0.007 0.000 0.217 39 G HA3 -0.307 3.649 3.960 -0.007 0.000 0.217 39 G C 1.638 176.481 174.900 -0.094 0.000 1.168 39 G CA 0.839 45.898 45.100 -0.069 0.000 0.771 39 G HN 0.414 nan 8.290 nan 0.000 0.551 40 R N -0.483 119.924 120.500 -0.153 0.000 2.075 40 R HA -0.101 4.235 4.340 -0.007 0.000 0.232 40 R C 2.425 178.690 176.300 -0.059 0.000 1.126 40 R CA 1.325 57.328 56.100 -0.161 0.000 0.963 40 R CB -0.421 29.763 30.300 -0.193 0.000 0.858 40 R HN 0.397 nan 8.270 nan 0.000 0.435 41 H N 0.780 119.909 119.070 0.099 0.000 2.352 41 H HA -0.140 4.412 4.556 -0.007 0.000 0.299 41 H C 2.070 177.374 175.328 -0.040 0.000 1.097 41 H CA 1.781 57.900 56.048 0.118 0.000 1.311 41 H CB -0.410 29.341 29.762 -0.018 0.000 1.377 41 H HN 0.427 nan 8.280 nan 0.000 0.504 42 Q N 0.209 120.054 119.800 0.076 0.000 2.020 42 Q HA -0.108 4.228 4.340 -0.007 0.000 0.202 42 Q C 2.640 178.628 176.000 -0.021 0.000 0.982 42 Q CA 2.020 57.840 55.803 0.029 0.000 0.838 42 Q CB -0.208 28.544 28.738 0.023 0.000 0.899 42 Q HN 0.465 nan 8.270 nan 0.000 0.423 43 V N -1.825 118.051 119.914 -0.064 0.000 2.490 43 V HA -0.183 3.932 4.120 -0.007 0.000 0.250 43 V C 1.865 177.868 176.094 -0.153 0.000 1.061 43 V CA 2.091 64.333 62.300 -0.097 0.000 1.064 43 V CB -1.030 30.723 31.823 -0.116 0.000 0.670 43 V HN 0.246 nan 8.190 nan 0.000 0.461 44 T N 0.901 115.295 114.554 -0.266 0.000 2.857 44 T HA 0.105 4.451 4.350 -0.007 0.000 0.266 44 T C 1.891 176.433 174.700 -0.263 0.000 1.048 44 T CA 1.768 63.590 62.100 -0.462 0.000 1.139 44 T CB -0.303 67.863 68.868 -1.170 0.000 0.874 44 T HN 0.425 nan 8.240 nan 0.000 0.455 45 L N 1.059 122.215 121.223 -0.112 0.000 2.093 45 L HA -0.092 4.244 4.340 -0.007 0.000 0.208 45 L C 2.624 179.517 176.870 0.037 0.000 1.085 45 L CA 1.300 56.153 54.840 0.022 0.000 0.755 45 L CB -0.374 41.718 42.059 0.055 0.000 0.904 45 L HN 0.375 nan 8.230 nan 0.000 0.435 46 K N 0.406 120.817 120.400 0.019 0.000 2.062 46 K HA -0.061 4.255 4.320 -0.007 0.000 0.205 46 K C 2.085 178.737 176.600 0.087 0.000 1.051 46 K CA 1.267 57.582 56.287 0.046 0.000 0.941 46 K CB -0.465 32.052 32.500 0.029 0.000 0.719 46 K HN 0.087 nan 8.250 nan 0.000 0.440 47 A N 1.825 124.690 122.820 0.076 0.000 1.908 47 A HA -0.082 4.233 4.320 -0.007 0.000 0.218 47 A C 2.258 180.001 177.584 0.264 0.000 1.181 47 A CA 1.602 53.762 52.037 0.206 0.000 0.627 47 A CB -0.819 18.242 19.000 0.102 0.000 0.818 47 A HN 0.332 nan 8.150 nan 0.000 0.445 48 L N -0.291 121.006 121.223 0.125 0.000 2.093 48 L HA -0.208 4.128 4.340 -0.007 0.000 0.208 48 L C 2.713 179.686 176.870 0.172 0.000 1.085 48 L CA 1.685 56.604 54.840 0.133 0.000 0.755 48 L CB -0.695 41.422 42.059 0.097 0.000 0.904 48 L HN 0.750 nan 8.230 nan 0.000 0.435 49 E N 0.814 121.098 120.200 0.139 0.000 2.077 49 E HA -0.265 4.081 4.350 -0.007 0.000 0.193 49 E C 1.753 178.433 176.600 0.133 0.000 0.989 49 E CA 1.464 57.947 56.400 0.137 0.000 0.800 49 E CB -0.245 29.517 29.700 0.103 0.000 0.746 49 E HN 0.526 nan 8.360 nan 0.000 0.452 50 E N -0.015 120.272 120.200 0.145 0.000 2.106 50 E HA -0.147 4.199 4.350 -0.007 0.000 0.192 50 E C 1.791 178.372 176.600 -0.032 0.000 0.984 50 E CA 1.087 57.570 56.400 0.139 0.000 0.806 50 E CB -0.272 29.617 29.700 0.315 0.000 0.750 50 E HN 0.317 nan 8.360 nan 0.000 0.458 51 F N 1.446 121.163 119.950 -0.389 0.000 2.102 51 F HA -0.244 4.278 4.527 -0.007 0.000 0.298 51 F C 2.364 178.036 175.800 -0.213 0.000 1.105 51 F CA 1.876 59.425 58.000 -0.751 0.000 1.239 51 F CB -0.271 38.246 39.000 -0.806 0.000 0.991 51 F HN 0.099 nan 8.300 nan 0.000 0.474 52 H N 0.553 119.529 119.070 -0.156 0.000 2.353 52 H HA -0.163 4.389 4.556 -0.007 0.000 0.300 52 H C 2.392 177.605 175.328 -0.192 0.000 1.090 52 H CA 1.751 57.698 56.048 -0.169 0.000 1.327 52 H CB -0.191 29.557 29.762 -0.023 0.000 1.383 52 H HN 0.279 nan 8.280 nan 0.000 0.508 53 K N 0.538 120.809 120.400 -0.216 0.000 2.044 53 K HA -0.202 4.114 4.320 -0.007 0.000 0.210 53 K C 2.283 178.687 176.600 -0.326 0.000 1.049 53 K CA 1.954 58.097 56.287 -0.240 0.000 0.927 53 K CB -0.008 32.438 32.500 -0.090 0.000 0.713 53 K HN 0.519 nan 8.250 nan 0.000 0.443 54 Q N -1.023 118.550 119.800 -0.378 0.000 2.224 54 Q HA -0.105 4.231 4.340 -0.007 0.000 0.203 54 Q C -0.023 175.428 176.000 -0.916 0.000 0.970 54 Q CA 0.899 56.360 55.803 -0.570 0.000 0.865 54 Q CB 0.141 28.556 28.738 -0.538 0.000 0.922 54 Q HN 0.461 nan 8.270 nan 0.000 0.445 55 H N -1.328 117.397 119.070 -0.575 0.000 2.607 55 H HA 0.173 4.725 4.556 -0.007 0.000 0.248 55 H C -2.141 172.910 175.328 -0.462 0.000 1.355 55 H CA -1.762 53.974 56.048 -0.520 0.000 1.524 55 H CB 1.302 30.642 29.762 -0.704 0.000 1.563 55 H HN 0.048 nan 8.280 nan 0.000 0.509 56 P HA -0.154 nan 4.420 nan 0.000 0.225 56 P C 1.490 178.712 177.300 -0.130 0.000 1.148 56 P CA 0.952 63.798 63.100 -0.423 0.000 0.779 56 P CB 0.289 31.810 31.700 -0.299 0.000 0.780 57 N N -0.045 118.605 118.700 -0.084 0.000 2.515 57 N HA -0.055 4.681 4.740 -0.007 0.000 0.185 57 N C 0.167 175.674 175.510 -0.004 0.000 1.109 57 N CA 0.469 53.502 53.050 -0.028 0.000 0.903 57 N CB -0.233 38.231 38.487 -0.038 0.000 0.969 57 N HN 0.199 nan 8.380 nan 0.000 0.450 58 I N 1.294 121.878 120.570 0.023 0.000 2.382 58 I HA 0.230 4.396 4.170 -0.007 0.000 0.285 58 I C -0.897 175.336 176.117 0.194 0.000 1.007 58 I CA -0.754 60.581 61.300 0.058 0.000 1.142 58 I CB 1.146 39.157 38.000 0.018 0.000 1.289 58 I HN -0.110 nan 8.210 nan 0.000 0.453 59 N N 5.177 123.942 118.700 0.107 0.000 2.430 59 N HA 0.551 5.287 4.740 -0.007 0.000 0.292 59 N C -1.106 174.445 175.510 0.069 0.000 1.051 59 N CA -0.643 52.434 53.050 0.045 0.000 0.917 59 N CB 2.410 40.880 38.487 -0.027 0.000 1.164 59 N HN 0.187 nan 8.380 nan 0.000 0.484 60 V N 2.104 122.060 119.914 0.070 0.000 2.350 60 V HA 0.279 4.395 4.120 -0.007 0.000 0.285 60 V C -0.144 175.994 176.094 0.073 0.000 1.014 60 V CA -0.792 61.561 62.300 0.087 0.000 0.831 60 V CB 1.063 32.951 31.823 0.109 0.000 1.000 60 V HN 0.580 nan 8.190 nan 0.000 0.433 61 K N 3.548 123.988 120.400 0.066 0.000 2.339 61 K HA 0.652 4.968 4.320 -0.007 0.000 0.286 61 K C 0.149 176.817 176.600 0.112 0.000 1.050 61 K CA 0.244 56.572 56.287 0.068 0.000 0.956 61 K CB 1.224 33.746 32.500 0.036 0.000 0.990 61 K HN 0.862 nan 8.250 nan 0.000 0.475 62 A N 3.615 126.524 122.820 0.148 0.000 2.305 62 A HA 0.395 4.711 4.320 -0.007 0.000 0.322 62 A C -0.847 176.763 177.584 0.043 0.000 1.187 62 A CA -0.618 51.554 52.037 0.225 0.000 0.825 62 A CB 0.509 19.760 19.000 0.418 0.000 1.164 62 A HN 0.763 nan 8.150 nan 0.000 0.498 63 E N 1.381 121.531 120.200 -0.083 0.000 2.325 63 E HA 0.451 4.797 4.350 -0.007 0.000 0.248 63 E C -1.871 174.500 176.600 -0.381 0.000 0.912 63 E CA -0.259 56.006 56.400 -0.226 0.000 0.782 63 E CB 1.408 31.048 29.700 -0.100 0.000 1.264 63 E HN 0.669 nan 8.360 nan 0.000 0.417 64 Y N -0.137 119.781 120.300 -0.636 0.000 2.524 64 Y HA 0.777 5.324 4.550 -0.006 0.000 0.347 64 Y C -0.263 175.367 175.900 -0.451 0.000 1.005 64 Y CA -0.940 56.631 58.100 -0.881 0.000 1.025 64 Y CB 1.620 38.975 38.460 -1.841 0.000 1.275 64 Y HN 0.309 nan 8.280 nan 0.000 0.460 65 T N -0.654 113.893 114.554 -0.011 0.000 2.681 65 T HA 0.781 5.126 4.350 -0.007 0.000 0.296 65 T C 0.132 175.092 174.700 0.433 0.000 1.157 65 T CA -0.479 61.718 62.100 0.161 0.000 1.025 65 T CB 1.107 70.090 68.868 0.192 0.000 1.441 65 T HN 1.262 nan 8.240 nan 0.000 0.504 66 G N -0.859 108.191 108.800 0.416 0.000 2.621 66 G HA2 0.322 4.277 3.960 -0.007 0.000 0.271 66 G HA3 0.322 4.277 3.960 -0.007 0.000 0.271 66 G C 0.648 175.843 174.900 0.491 0.000 1.236 66 G CA -0.523 44.864 45.100 0.478 0.000 0.958 66 G HN 0.826 nan 8.290 nan 0.000 0.512 67 W N -0.081 121.407 121.300 0.314 0.000 2.335 67 W HA -0.110 4.547 4.660 -0.006 0.000 0.311 67 W C 0.433 177.017 176.519 0.108 0.000 1.213 67 W CA 1.298 58.691 57.345 0.080 0.000 1.274 67 W CB -0.079 29.404 29.460 0.039 0.000 1.148 67 W HN 0.454 nan 8.180 nan 0.000 0.498 68 D N -0.295 120.176 120.400 0.118 0.000 2.487 68 D HA 0.197 4.833 4.640 -0.007 0.000 0.243 68 D C 1.195 177.439 176.300 -0.094 0.000 1.154 68 D CA 2.364 56.347 54.000 -0.027 0.000 0.876 68 D CB 0.205 41.079 40.800 0.123 0.000 1.161 68 D HN 0.386 nan 8.370 nan 0.000 0.478 69 G N 3.216 111.900 108.800 -0.194 0.000 2.189 69 G HA2 -0.435 3.520 3.960 -0.007 0.000 0.267 69 G HA3 -0.435 3.520 3.960 -0.007 0.000 0.267 69 G C 1.019 175.792 174.900 -0.212 0.000 0.975 69 G CA 1.019 46.016 45.100 -0.173 0.000 0.644 69 G HN 0.743 nan 8.290 nan 0.000 0.537 70 H N -0.243 118.617 119.070 -0.350 0.000 2.326 70 H HA 0.168 4.720 4.556 -0.006 0.000 0.301 70 H C 2.579 177.707 175.328 -0.333 0.000 1.081 70 H CA 2.088 57.985 56.048 -0.252 0.000 1.334 70 H CB -0.098 29.589 29.762 -0.124 0.000 1.385 70 H HN 0.419 nan 8.280 nan 0.000 0.504 71 L N -0.110 120.819 121.223 -0.490 0.000 2.042 71 L HA -0.159 4.177 4.340 -0.007 0.000 0.210 71 L C 2.537 179.147 176.870 -0.433 0.000 1.076 71 L CA 2.171 56.605 54.840 -0.676 0.000 0.749 71 L CB -1.292 40.306 42.059 -0.768 0.000 0.893 71 L HN 0.372 nan 8.230 nan 0.000 0.432 72 S N -0.576 114.922 115.700 -0.336 0.000 2.356 72 S HA -0.229 4.237 4.470 -0.007 0.000 0.223 72 S C 2.206 176.683 174.600 -0.205 0.000 1.032 72 S CA 1.411 59.475 58.200 -0.226 0.000 1.005 72 S CB -0.284 62.807 63.200 -0.181 0.000 0.867 72 S HN 0.574 nan 8.310 nan 0.000 0.449 73 R N 0.004 120.362 120.500 -0.238 0.000 2.083 73 R HA -0.054 4.282 4.340 -0.007 0.000 0.237 73 R C 2.367 178.519 176.300 -0.247 0.000 1.137 73 R CA 1.557 57.520 56.100 -0.229 0.000 0.951 73 R CB -0.701 29.449 30.300 -0.250 0.000 0.851 73 R HN 0.398 nan 8.270 nan 0.000 0.434 74 L N 0.861 121.888 121.223 -0.326 0.000 2.042 74 L HA -0.169 4.167 4.340 -0.007 0.000 0.210 74 L C 1.898 178.605 176.870 -0.271 0.000 1.076 74 L CA 1.986 56.641 54.840 -0.309 0.000 0.749 74 L CB -0.772 41.076 42.059 -0.353 0.000 0.893 74 L HN 0.133 nan 8.230 nan 0.000 0.432 75 T N -1.171 113.298 114.554 -0.142 0.000 2.684 75 T HA -0.198 4.147 4.350 -0.007 0.000 0.267 75 T C 1.743 176.415 174.700 -0.047 0.000 1.036 75 T CA 1.999 64.120 62.100 0.035 0.000 1.148 75 T CB -0.678 68.229 68.868 0.066 0.000 0.863 75 T HN 0.439 nan 8.240 nan 0.000 0.436 76 T N 2.472 116.973 114.554 -0.089 0.000 2.624 76 T HA -0.211 4.135 4.350 -0.007 0.000 0.268 76 T C 2.162 176.804 174.700 -0.097 0.000 1.041 76 T CA 1.577 63.625 62.100 -0.087 0.000 1.159 76 T CB -0.454 68.358 68.868 -0.094 0.000 0.863 76 T HN 0.507 nan 8.240 nan 0.000 0.434 77 Q N 0.072 119.796 119.800 -0.127 0.000 2.061 77 Q HA -0.040 4.295 4.340 -0.007 0.000 0.204 77 Q C 2.455 178.377 176.000 -0.129 0.000 0.984 77 Q CA 1.380 57.108 55.803 -0.123 0.000 0.846 77 Q CB -0.377 28.279 28.738 -0.136 0.000 0.902 77 Q HN 0.518 nan 8.270 nan 0.000 0.421 78 I N 0.493 120.953 120.570 -0.183 0.000 2.286 78 I HA -0.254 3.912 4.170 -0.007 0.000 0.248 78 I C 2.311 178.360 176.117 -0.113 0.000 1.115 78 I CA 0.814 61.990 61.300 -0.207 0.000 1.392 78 I CB -0.310 37.438 38.000 -0.420 0.000 1.065 78 I HN 0.174 nan 8.210 nan 0.000 0.418 79 A N 0.410 123.186 122.820 -0.073 0.000 2.015 79 A HA -0.070 4.246 4.320 -0.007 0.000 0.219 79 A C 2.210 179.764 177.584 -0.051 0.000 1.163 79 A CA 1.723 53.734 52.037 -0.044 0.000 0.646 79 A CB -0.912 18.070 19.000 -0.030 0.000 0.806 79 A HN 0.474 nan 8.150 nan 0.000 0.448 80 G N -2.187 106.577 108.800 -0.060 0.000 3.126 80 G HA2 0.389 4.345 3.960 -0.007 0.000 0.224 80 G HA3 0.389 4.345 3.960 -0.007 0.000 0.224 80 G C 1.032 175.900 174.900 -0.053 0.000 1.142 80 G CA 0.449 45.518 45.100 -0.053 0.000 0.759 80 G HN 1.540 nan 8.290 nan 0.000 0.550 81 G N 0.499 109.261 108.800 -0.063 0.000 2.176 81 G HA2 -0.234 3.721 3.960 -0.007 0.000 0.252 81 G HA3 -0.234 3.721 3.960 -0.007 0.000 0.252 81 G C 0.776 175.644 174.900 -0.055 0.000 1.024 81 G CA 1.196 46.261 45.100 -0.059 0.000 0.755 81 G HN 1.319 nan 8.290 nan 0.000 0.507 82 T N -1.900 112.617 114.554 -0.062 0.000 3.266 82 T HA 0.492 4.838 4.350 -0.007 0.000 0.278 82 T C 0.620 175.287 174.700 -0.055 0.000 1.010 82 T CA 0.454 62.523 62.100 -0.053 0.000 0.909 82 T CB 0.548 69.385 68.868 -0.051 0.000 1.122 82 T HN 0.726 nan 8.240 nan 0.000 0.536 83 E N 1.535 121.698 120.200 -0.063 0.000 2.392 83 E HA 0.321 4.667 4.350 -0.007 0.000 0.259 83 E C -2.712 173.884 176.600 -0.007 0.000 1.108 83 E CA -1.959 54.410 56.400 -0.052 0.000 0.916 83 E CB 0.117 29.767 29.700 -0.082 0.000 0.989 83 E HN 0.110 nan 8.360 nan 0.000 0.432 84 P HA 0.003 nan 4.420 nan 0.000 0.271 84 P C 0.286 177.621 177.300 0.058 0.000 1.238 84 P CA -0.153 62.975 63.100 0.047 0.000 0.794 84 P CB 0.450 32.198 31.700 0.079 0.000 0.959 85 D N -0.721 119.712 120.400 0.055 0.000 2.123 85 D HA -0.030 4.606 4.640 -0.007 0.000 0.200 85 D C 0.300 176.625 176.300 0.042 0.000 0.976 85 D CA 1.497 55.522 54.000 0.041 0.000 0.831 85 D CB 0.155 40.985 40.800 0.051 0.000 0.974 85 D HN 0.065 nan 8.370 nan 0.000 0.469 86 V N 1.457 121.404 119.914 0.054 0.000 2.495 86 V HA 0.368 4.483 4.120 -0.007 0.000 0.298 86 V C -0.160 175.997 176.094 0.105 0.000 1.031 86 V CA -0.409 61.921 62.300 0.049 0.000 0.871 86 V CB 1.928 33.753 31.823 0.004 0.000 0.988 86 V HN -0.029 nan 8.190 nan 0.000 0.432 87 M N 3.623 123.285 119.600 0.104 0.000 2.395 87 M HA 0.462 4.938 4.480 -0.007 0.000 0.307 87 M C -0.537 175.842 176.300 0.130 0.000 1.091 87 M CA -0.342 55.066 55.300 0.182 0.000 0.919 87 M CB 2.294 35.034 32.600 0.234 0.000 1.662 87 M HN 0.656 nan 8.290 nan 0.000 0.440 88 Q N 2.265 122.188 119.800 0.206 0.000 2.304 88 Q HA 0.382 4.718 4.340 -0.007 0.000 0.260 88 Q C -0.854 175.337 176.000 0.319 0.000 0.965 88 Q CA 0.043 55.900 55.803 0.091 0.000 0.898 88 Q CB 0.912 29.607 28.738 -0.071 0.000 1.196 88 Q HN 0.781 nan 8.270 nan 0.000 0.402 89 T N 0.838 115.465 114.554 0.123 0.000 2.916 89 T HA 0.493 4.839 4.350 -0.007 0.000 0.292 89 T C -0.605 173.912 174.700 -0.305 0.000 1.064 89 T CA -1.018 61.104 62.100 0.036 0.000 1.011 89 T CB 1.511 70.344 68.868 -0.058 0.000 1.152 89 T HN 0.506 nan 8.240 nan 0.000 0.510 90 N N -0.353 117.679 118.700 -1.114 0.000 2.405 90 N HA 0.345 5.080 4.740 -0.007 0.000 0.299 90 N C 0.005 175.230 175.510 -0.474 0.000 1.075 90 N CA -1.178 51.314 53.050 -0.930 0.000 0.884 90 N CB 1.442 39.036 38.487 -1.489 0.000 1.194 90 N HN 0.939 nan 8.380 nan 0.000 0.491 91 W N 3.881 124.966 121.300 -0.358 0.000 2.350 91 W HA -0.123 4.533 4.660 -0.007 0.000 0.289 91 W C 1.436 177.918 176.519 -0.061 0.000 1.215 91 W CA 1.402 58.641 57.345 -0.177 0.000 1.236 91 W CB -0.040 29.318 29.460 -0.170 0.000 1.130 91 W HN 0.678 nan 8.180 nan 0.000 0.541 92 N N -0.681 117.912 118.700 -0.179 0.000 2.515 92 N HA -0.162 4.574 4.740 -0.007 0.000 0.185 92 N C 0.993 176.499 175.510 -0.006 0.000 1.109 92 N CA 0.953 53.825 53.050 -0.296 0.000 0.903 92 N CB -1.293 37.223 38.487 0.048 0.000 0.969 92 N HN 0.232 nan 8.380 nan 0.000 0.450 93 W N 1.306 122.564 121.300 -0.071 0.000 2.770 93 W HA 0.332 4.988 4.660 -0.006 0.000 0.256 93 W C 1.998 178.538 176.519 0.035 0.000 1.291 93 W CA -0.511 56.836 57.345 0.003 0.000 1.396 93 W CB -0.758 28.895 29.460 0.321 0.000 1.114 93 W HN 0.027 nan 8.180 nan 0.000 0.637 94 L N 0.720 122.052 121.223 0.182 0.000 2.013 94 L HA -0.210 4.126 4.340 -0.007 0.000 0.212 94 L C -0.112 176.786 176.870 0.046 0.000 1.073 94 L CA 1.613 56.545 54.840 0.154 0.000 0.753 94 L CB -2.184 39.885 42.059 0.017 0.000 0.890 94 L HN -0.125 nan 8.230 nan 0.000 0.432 95 P HA -0.115 nan 4.420 nan 0.000 0.219 95 P C 1.762 179.025 177.300 -0.061 0.000 1.150 95 P CA 1.276 64.321 63.100 -0.092 0.000 0.814 95 P CB 0.024 31.551 31.700 -0.288 0.000 0.787 96 I N -2.448 118.027 120.570 -0.159 0.000 2.179 96 I HA -0.208 3.958 4.170 -0.007 0.000 0.242 96 I C 1.576 177.468 176.117 -0.376 0.000 1.088 96 I CA 1.689 62.761 61.300 -0.380 0.000 1.357 96 I CB -0.563 37.000 38.000 -0.729 0.000 1.051 96 I HN -0.125 nan 8.210 nan 0.000 0.409 97 F N -0.916 119.046 119.950 0.020 0.000 2.717 97 F HA 0.223 4.746 4.527 -0.008 0.000 0.297 97 F C 1.460 177.180 175.800 -0.134 0.000 1.113 97 F CA -0.040 57.903 58.000 -0.095 0.000 1.319 97 F CB 0.276 39.180 39.000 -0.159 0.000 1.097 97 F HN -0.192 nan 8.300 nan 0.000 0.595 98 S N -0.491 115.280 115.700 0.119 0.000 2.598 98 S HA 0.195 4.661 4.470 -0.007 0.000 0.209 98 S C 1.098 175.741 174.600 0.072 0.000 1.029 98 S CA -0.334 57.917 58.200 0.086 0.000 1.172 98 S CB -0.144 63.166 63.200 0.182 0.000 1.427 98 S HN 0.034 nan 8.310 nan 0.000 0.418 99 K N 1.906 122.333 120.400 0.045 0.000 2.160 99 K HA -0.123 4.193 4.320 -0.007 0.000 0.206 99 K C 1.140 177.767 176.600 0.044 0.000 1.047 99 K CA 2.280 58.593 56.287 0.044 0.000 0.930 99 K CB 0.086 32.607 32.500 0.036 0.000 0.720 99 K HN 0.602 nan 8.250 nan 0.000 0.450 100 D N -2.681 117.741 120.400 0.036 0.000 2.402 100 D HA 0.152 4.787 4.640 -0.007 0.000 0.216 100 D C 0.873 177.197 176.300 0.041 0.000 1.128 100 D CA 0.485 54.505 54.000 0.034 0.000 0.833 100 D CB 0.357 41.169 40.800 0.020 0.000 0.971 100 D HN 0.216 nan 8.370 nan 0.000 0.503 101 G N 0.275 109.109 108.800 0.057 0.000 2.176 101 G HA2 -0.334 3.622 3.960 -0.007 0.000 0.253 101 G HA3 -0.334 3.622 3.960 -0.007 0.000 0.253 101 G C 1.090 176.028 174.900 0.063 0.000 0.979 101 G CA 0.778 45.922 45.100 0.074 0.000 0.641 101 G HN 0.678 nan 8.290 nan 0.000 0.530 102 T N -2.042 112.531 114.554 0.032 0.000 3.069 102 T HA 0.441 4.787 4.350 -0.007 0.000 0.252 102 T C 2.144 176.827 174.700 -0.029 0.000 1.053 102 T CA 1.176 63.278 62.100 0.004 0.000 0.964 102 T CB 0.612 69.474 68.868 -0.010 0.000 1.005 102 T HN 1.079 nan 8.240 nan 0.000 0.532 103 G N 0.283 109.045 108.800 -0.063 0.000 2.598 103 G HA2 0.279 4.235 3.960 -0.007 0.000 0.215 103 G HA3 0.279 4.235 3.960 -0.007 0.000 0.215 103 G C -0.050 174.544 174.900 -0.509 0.000 1.131 103 G CA 0.138 45.078 45.100 -0.267 0.000 0.785 103 G HN 0.495 nan 8.290 nan 0.000 0.539 104 F N -2.809 117.185 119.950 0.072 0.000 2.620 104 F HA 0.489 5.012 4.527 -0.007 0.000 0.320 104 F C -0.411 175.450 175.800 0.102 0.000 1.069 104 F CA -2.151 55.901 58.000 0.087 0.000 0.953 104 F CB 1.142 40.194 39.000 0.088 0.000 1.322 104 F HN -0.042 nan 8.300 nan 0.000 0.479 105 Y N 1.866 122.291 120.300 0.208 0.000 2.511 105 Y HA 0.051 4.597 4.550 -0.008 0.000 0.332 105 Y C 0.692 176.642 175.900 0.084 0.000 1.177 105 Y CA 0.008 58.171 58.100 0.106 0.000 1.422 105 Y CB 0.333 38.840 38.460 0.078 0.000 1.271 105 Y HN 0.601 nan 8.280 nan 0.000 0.550 106 N N 5.868 124.485 118.700 -0.139 0.000 2.427 106 N HA 0.009 4.744 4.740 -0.007 0.000 0.269 106 N C 0.439 175.962 175.510 0.022 0.000 1.235 106 N CA -0.225 52.774 53.050 -0.085 0.000 0.934 106 N CB 0.416 38.832 38.487 -0.118 0.000 1.121 106 N HN 0.820 nan 8.380 nan 0.000 0.480 107 L N 3.670 124.878 121.223 -0.025 0.000 2.478 107 L HA -0.025 4.310 4.340 -0.007 0.000 0.223 107 L C 1.272 178.157 176.870 0.025 0.000 1.140 107 L CA 0.372 55.217 54.840 0.009 0.000 0.842 107 L CB -0.249 41.740 42.059 -0.117 0.000 0.953 107 L HN 0.674 nan 8.230 nan 0.000 0.452 108 F N -0.383 119.602 119.950 0.060 0.000 2.408 108 F HA -0.174 4.348 4.527 -0.007 0.000 0.300 108 F C 2.363 178.200 175.800 0.061 0.000 1.090 108 F CA 0.529 58.559 58.000 0.050 0.000 1.427 108 F CB -0.094 38.923 39.000 0.029 0.000 1.070 108 F HN 0.032 nan 8.300 nan 0.000 0.549 109 S N -0.572 115.268 115.700 0.233 0.000 2.528 109 S HA 0.001 4.467 4.470 -0.007 0.000 0.219 109 S C 1.341 176.088 174.600 0.245 0.000 0.985 109 S CA 0.635 58.956 58.200 0.202 0.000 0.914 109 S CB 0.210 63.487 63.200 0.128 0.000 0.776 109 S HN 0.249 nan 8.310 nan 0.000 0.526 110 V N 0.139 120.198 119.914 0.241 0.000 2.988 110 V HA 0.328 4.443 4.120 -0.007 0.000 0.356 110 V C 1.164 177.341 176.094 0.138 0.000 1.380 110 V CA -0.465 61.943 62.300 0.180 0.000 1.184 110 V CB -0.402 31.511 31.823 0.151 0.000 1.204 110 V HN 0.382 nan 8.190 nan 0.000 0.530 111 K N 0.833 121.326 120.400 0.155 0.000 2.360 111 K HA -0.152 4.164 4.320 -0.007 0.000 0.201 111 K C 1.630 178.300 176.600 0.118 0.000 1.046 111 K CA 1.844 58.220 56.287 0.147 0.000 0.945 111 K CB 0.012 32.623 32.500 0.185 0.000 0.750 111 K HN 0.572 nan 8.250 nan 0.000 0.464 112 E N 1.532 121.795 120.200 0.105 0.000 2.107 112 E HA -0.166 4.180 4.350 -0.007 0.000 0.191 112 E C 1.618 178.269 176.600 0.085 0.000 0.982 112 E CA 1.255 57.708 56.400 0.088 0.000 0.809 112 E CB 0.118 29.866 29.700 0.080 0.000 0.756 112 E HN 0.391 nan 8.360 nan 0.000 0.459 113 Q N -0.532 119.319 119.800 0.086 0.000 2.354 113 Q HA 0.231 4.567 4.340 -0.007 0.000 0.203 113 Q C -0.463 175.593 176.000 0.094 0.000 0.933 113 Q CA 0.361 56.214 55.803 0.084 0.000 0.901 113 Q CB 0.459 29.238 28.738 0.068 0.000 1.007 113 Q HN 0.232 nan 8.270 nan 0.000 0.495 114 L N 0.873 122.154 121.223 0.096 0.000 2.372 114 L HA 0.386 4.722 4.340 -0.007 0.000 0.274 114 L C -1.483 175.467 176.870 0.133 0.000 0.988 114 L CA -0.681 54.223 54.840 0.106 0.000 0.833 114 L CB 1.736 43.840 42.059 0.075 0.000 1.236 114 L HN -0.166 nan 8.230 nan 0.000 0.410 115 D N 4.833 125.325 120.400 0.154 0.000 2.483 115 D HA 0.141 4.776 4.640 -0.007 0.000 0.220 115 D C 1.085 177.524 176.300 0.232 0.000 1.173 115 D CA 0.119 54.206 54.000 0.146 0.000 0.964 115 D CB 0.420 41.272 40.800 0.086 0.000 1.046 115 D HN 0.668 nan 8.370 nan 0.000 0.517 116 L N 2.508 123.872 121.223 0.236 0.000 2.093 116 L HA -0.091 4.245 4.340 -0.007 0.000 0.208 116 L C 2.395 179.450 176.870 0.308 0.000 1.085 116 L CA 0.907 55.940 54.840 0.321 0.000 0.755 116 L CB -0.388 41.813 42.059 0.237 0.000 0.904 116 L HN 0.374 nan 8.230 nan 0.000 0.435 117 A N -0.494 122.425 122.820 0.166 0.000 2.139 117 A HA -0.207 4.108 4.320 -0.007 0.000 0.221 117 A C 2.126 179.711 177.584 0.002 0.000 1.159 117 A CA 1.198 53.288 52.037 0.090 0.000 0.662 117 A CB -0.316 18.718 19.000 0.056 0.000 0.796 117 A HN 0.439 nan 8.150 nan 0.000 0.463 118 Q N -1.244 118.492 119.800 -0.107 0.000 2.436 118 Q HA 0.029 4.364 4.340 -0.007 0.000 0.209 118 Q C -0.633 175.019 176.000 -0.579 0.000 0.965 118 Q CA 0.557 56.123 55.803 -0.395 0.000 0.910 118 Q CB -0.142 28.206 28.738 -0.651 0.000 0.980 118 Q HN 0.703 nan 8.270 nan 0.000 0.491 119 F N 0.699 120.649 119.950 -0.000 0.000 2.458 119 F HA 0.205 4.728 4.527 -0.007 0.000 0.336 119 F C 0.393 176.198 175.800 0.008 0.000 1.114 119 F CA -1.858 56.138 58.000 -0.007 0.000 0.987 119 F CB 1.006 39.995 39.000 -0.018 0.000 1.130 119 F HN -0.205 nan 8.300 nan 0.000 0.458 120 D N 4.366 124.853 120.400 0.146 0.000 2.455 120 D HA 0.082 4.717 4.640 -0.007 0.000 0.241 120 D C -1.739 174.630 176.300 0.115 0.000 1.138 120 D CA -1.232 52.827 54.000 0.098 0.000 0.877 120 D CB 1.164 42.007 40.800 0.072 0.000 1.187 120 D HN 0.183 nan 8.370 nan 0.000 0.451 121 P HA -0.134 nan 4.420 nan 0.000 0.221 121 P C 0.512 177.868 177.300 0.094 0.000 1.145 121 P CA 1.368 64.532 63.100 0.106 0.000 0.795 121 P CB 0.196 31.950 31.700 0.089 0.000 0.775 122 K N -0.966 119.481 120.400 0.078 0.000 2.284 122 K HA 0.008 4.324 4.320 -0.007 0.000 0.198 122 K C 1.775 178.407 176.600 0.053 0.000 1.048 122 K CA 0.551 56.880 56.287 0.069 0.000 0.987 122 K CB -0.004 32.536 32.500 0.067 0.000 0.800 122 K HN 0.074 nan 8.250 nan 0.000 0.486 123 E N 1.399 121.629 120.200 0.049 0.000 2.072 123 E HA -0.121 4.225 4.350 -0.007 0.000 0.191 123 E C 2.063 178.667 176.600 0.006 0.000 0.985 123 E CA 0.931 57.338 56.400 0.011 0.000 0.801 123 E CB -0.193 29.522 29.700 0.025 0.000 0.750 123 E HN 0.267 nan 8.360 nan 0.000 0.452 124 L N 0.592 121.839 121.223 0.040 0.000 2.131 124 L HA -0.181 4.155 4.340 -0.007 0.000 0.210 124 L C 2.683 179.576 176.870 0.039 0.000 1.092 124 L CA 0.937 55.786 54.840 0.016 0.000 0.759 124 L CB -0.321 41.770 42.059 0.054 0.000 0.903 124 L HN 0.137 nan 8.230 nan 0.000 0.435 125 Q N -0.395 119.448 119.800 0.072 0.000 2.170 125 Q HA -0.215 4.120 4.340 -0.007 0.000 0.203 125 Q C 2.215 178.269 176.000 0.090 0.000 0.976 125 Q CA 1.183 57.039 55.803 0.088 0.000 0.858 125 Q CB 0.154 28.947 28.738 0.092 0.000 0.907 125 Q HN 0.385 nan 8.270 nan 0.000 0.433 126 Q N -0.831 119.011 119.800 0.071 0.000 2.364 126 Q HA -0.088 4.247 4.340 -0.007 0.000 0.209 126 Q C 1.436 177.546 176.000 0.184 0.000 0.977 126 Q CA 1.634 57.510 55.803 0.120 0.000 0.885 126 Q CB 0.139 28.866 28.738 -0.019 0.000 0.941 126 Q HN 0.527 nan 8.270 nan 0.000 0.464 127 T N -4.056 110.546 114.554 0.081 0.000 3.129 127 T HA 0.205 4.550 4.350 -0.007 0.000 0.267 127 T C 0.443 175.151 174.700 0.013 0.000 1.018 127 T CA -0.371 61.757 62.100 0.046 0.000 0.903 127 T CB 0.356 69.197 68.868 -0.046 0.000 1.067 127 T HN -0.162 nan 8.240 nan 0.000 0.549 128 T N 2.352 116.932 114.554 0.043 0.000 2.794 128 T HA 0.645 4.991 4.350 -0.007 0.000 0.280 128 T C -0.668 174.081 174.700 0.081 0.000 0.987 128 T CA -0.480 61.650 62.100 0.049 0.000 0.993 128 T CB 1.766 70.690 68.868 0.094 0.000 0.939 128 T HN 0.152 nan 8.240 nan 0.000 0.449 129 V N 4.102 124.065 119.914 0.081 0.000 2.531 129 V HA 0.386 4.501 4.120 -0.007 0.000 0.301 129 V C 0.174 176.319 176.094 0.084 0.000 1.034 129 V CA -1.293 61.056 62.300 0.082 0.000 0.865 129 V CB 1.511 33.381 31.823 0.079 0.000 0.995 129 V HN 0.967 nan 8.190 nan 0.000 0.424 130 N N 3.648 122.395 118.700 0.078 0.000 2.707 130 N HA -0.239 4.496 4.740 -0.007 0.000 0.253 130 N C 1.285 176.850 175.510 0.091 0.000 0.998 130 N CA 1.508 54.602 53.050 0.073 0.000 0.751 130 N CB -0.833 37.688 38.487 0.057 0.000 0.920 130 N HN 1.641 nan 8.380 nan 0.000 0.539 131 G N -1.402 107.472 108.800 0.123 0.000 2.184 131 G HA2 -0.364 3.591 3.960 -0.007 0.000 0.264 131 G HA3 -0.364 3.591 3.960 -0.007 0.000 0.264 131 G C 0.028 175.096 174.900 0.280 0.000 0.975 131 G CA 0.918 46.125 45.100 0.178 0.000 0.642 131 G HN 0.532 nan 8.290 nan 0.000 0.536 132 K N -0.149 120.362 120.400 0.186 0.000 2.235 132 K HA 0.590 4.906 4.320 -0.007 0.000 0.266 132 K C -0.240 176.361 176.600 0.003 0.000 0.980 132 K CA -1.034 55.337 56.287 0.140 0.000 0.849 132 K CB 1.855 34.404 32.500 0.081 0.000 1.098 132 K HN 0.064 nan 8.250 nan 0.000 0.445 133 L N 4.197 125.265 121.223 -0.259 0.000 2.407 133 L HA 0.089 4.424 4.340 -0.007 0.000 0.282 133 L C 0.474 177.227 176.870 -0.196 0.000 1.110 133 L CA 0.696 55.265 54.840 -0.451 0.000 0.863 133 L CB -0.260 41.116 42.059 -1.140 0.000 1.207 133 L HN 0.655 nan 8.230 nan 0.000 0.454 134 N N 2.955 121.604 118.700 -0.086 0.000 2.405 134 N HA 0.147 4.883 4.740 -0.007 0.000 0.175 134 N C 0.422 175.866 175.510 -0.110 0.000 1.051 134 N CA 0.605 53.665 53.050 0.017 0.000 0.899 134 N CB 0.740 39.320 38.487 0.155 0.000 1.000 134 N HN 0.690 nan 8.380 nan 0.000 0.451 135 G N 0.383 109.081 108.800 -0.170 0.000 2.703 135 G HA2 0.431 4.387 3.960 -0.007 0.000 0.294 135 G HA3 0.431 4.387 3.960 -0.007 0.000 0.294 135 G C -1.466 173.277 174.900 -0.263 0.000 1.451 135 G CA -0.496 44.467 45.100 -0.228 0.000 0.869 135 G HN -0.111 nan 8.290 nan 0.000 0.516 136 I N 2.552 122.930 120.570 -0.320 0.000 2.304 136 I HA 0.298 4.464 4.170 -0.007 0.000 0.291 136 I C -1.968 173.904 176.117 -0.408 0.000 1.018 136 I CA -3.296 57.714 61.300 -0.485 0.000 1.260 136 I CB 1.032 38.624 38.000 -0.680 0.000 1.390 136 I HN 0.166 nan 8.210 nan 0.000 0.475 137 P HA 0.194 nan 4.420 nan 0.000 0.267 137 P C 0.870 178.065 177.300 -0.174 0.000 1.209 137 P CA 0.078 63.042 63.100 -0.227 0.000 0.763 137 P CB 1.279 32.881 31.700 -0.164 0.000 0.816 138 I N 1.451 121.926 120.570 -0.158 0.000 2.339 138 I HA -0.085 4.081 4.170 -0.007 0.000 0.245 138 I C 1.207 177.287 176.117 -0.062 0.000 1.096 138 I CA 1.234 62.473 61.300 -0.102 0.000 1.408 138 I CB -0.154 37.745 38.000 -0.167 0.000 1.092 138 I HN 0.453 nan 8.210 nan 0.000 0.423 139 S N -0.379 115.252 115.700 -0.115 0.000 2.615 139 S HA 0.631 5.096 4.470 -0.007 0.000 0.269 139 S C -0.664 173.835 174.600 -0.169 0.000 1.161 139 S CA -0.933 57.201 58.200 -0.109 0.000 0.817 139 S CB 1.966 65.096 63.200 -0.116 0.000 1.131 139 S HN 0.018 nan 8.310 nan 0.000 0.467 140 V N -1.918 117.909 119.914 -0.145 0.000 3.019 140 V HA 1.012 5.127 4.120 -0.007 0.000 0.317 140 V C -0.249 175.771 176.094 -0.124 0.000 1.094 140 V CA -0.298 61.866 62.300 -0.227 0.000 1.000 140 V CB 1.315 32.999 31.823 -0.231 0.000 1.060 140 V HN 1.263 nan 8.190 nan 0.000 0.443 141 T N 0.686 115.150 114.554 -0.151 0.000 2.886 141 T HA 0.778 5.124 4.350 -0.007 0.000 0.330 141 T C -1.128 173.699 174.700 0.211 0.000 1.488 141 T CA 0.267 62.381 62.100 0.024 0.000 1.054 141 T CB 1.576 70.394 68.868 -0.083 0.000 1.348 141 T HN 1.942 nan 8.240 nan 0.000 0.489 142 A N 2.690 125.692 122.820 0.302 0.000 2.498 142 A HA 0.837 5.152 4.320 -0.007 0.000 0.298 142 A C -0.715 176.871 177.584 0.003 0.000 1.075 142 A CA -0.851 51.352 52.037 0.277 0.000 0.714 142 A CB 1.436 20.525 19.000 0.148 0.000 1.299 142 A HN 0.829 nan 8.150 nan 0.000 0.407 143 R N 1.185 121.389 120.500 -0.494 0.000 2.401 143 R HA 0.407 4.742 4.340 -0.007 0.000 0.299 143 R C -0.094 175.719 176.300 -0.812 0.000 1.064 143 R CA 0.186 55.660 56.100 -1.044 0.000 1.000 143 R CB 0.247 29.502 30.300 -1.742 0.000 0.973 143 R HN 0.691 nan 8.270 nan 0.000 0.438 144 I N -0.868 119.330 120.570 -0.620 0.000 3.174 144 I HA 0.453 4.618 4.170 -0.007 0.000 0.313 144 I C -0.843 174.963 176.117 -0.517 0.000 1.155 144 I CA -1.200 59.896 61.300 -0.341 0.000 0.977 144 I CB 1.403 39.324 38.000 -0.132 0.000 1.248 144 I HN 0.285 nan 8.210 nan 0.000 0.453 145 F N 2.391 122.146 119.950 -0.324 0.000 2.467 145 F HA 0.435 4.958 4.527 -0.007 0.000 0.362 145 F C -0.480 174.734 175.800 -0.977 0.000 1.090 145 F CA 0.365 58.017 58.000 -0.580 0.000 1.202 145 F CB 0.352 38.997 39.000 -0.592 0.000 1.113 145 F HN 0.243 nan 8.300 nan 0.000 0.541 146 Y N 2.916 122.853 120.300 -0.605 0.000 2.446 146 Y HA 0.602 5.148 4.550 -0.007 0.000 0.345 146 Y C -0.775 174.704 175.900 -0.702 0.000 0.984 146 Y CA -1.114 56.660 58.100 -0.542 0.000 1.058 146 Y CB 1.504 39.833 38.460 -0.220 0.000 1.220 146 Y HN 0.302 nan 8.280 nan 0.000 0.455 147 F N 0.959 120.913 119.950 0.005 0.000 2.563 147 F HA 0.312 4.835 4.527 -0.007 0.000 0.316 147 F C 0.062 175.949 175.800 0.144 0.000 1.076 147 F CA -1.479 56.517 58.000 -0.006 0.000 0.921 147 F CB 1.222 39.833 39.000 -0.650 0.000 1.209 147 F HN 0.401 nan 8.300 nan 0.000 0.462 148 N N 2.321 121.350 118.700 0.549 0.000 2.406 148 N HA -0.020 4.716 4.740 -0.007 0.000 0.265 148 N C 0.563 176.386 175.510 0.521 0.000 1.203 148 N CA 0.058 53.349 53.050 0.401 0.000 0.945 148 N CB 0.662 39.328 38.487 0.298 0.000 1.165 148 N HN 0.688 nan 8.380 nan 0.000 0.485 149 D N 3.420 124.043 120.400 0.371 0.000 2.219 149 D HA -0.123 4.512 4.640 -0.007 0.000 0.205 149 D C 1.487 177.983 176.300 0.327 0.000 0.970 149 D CA 0.995 55.237 54.000 0.403 0.000 0.851 149 D CB -0.293 40.690 40.800 0.306 0.000 0.943 149 D HN 0.418 nan 8.370 nan 0.000 0.488 150 A N 0.695 123.662 122.820 0.245 0.000 1.845 150 A HA -0.170 4.146 4.320 -0.007 0.000 0.215 150 A C 2.396 180.088 177.584 0.180 0.000 1.195 150 A CA 2.594 54.735 52.037 0.174 0.000 0.616 150 A CB -1.284 17.791 19.000 0.125 0.000 0.832 150 A HN 0.307 nan 8.150 nan 0.000 0.443 151 T N -1.452 113.247 114.554 0.242 0.000 2.708 151 T HA -0.211 4.135 4.350 -0.007 0.000 0.266 151 T C 1.542 176.303 174.700 0.101 0.000 1.037 151 T CA 1.576 63.791 62.100 0.193 0.000 1.146 151 T CB -0.404 68.668 68.868 0.340 0.000 0.865 151 T HN 0.658 nan 8.240 nan 0.000 0.435 152 W N 1.587 123.027 121.300 0.234 0.000 2.358 152 W HA 0.075 4.731 4.660 -0.007 0.000 0.303 152 W C 2.853 179.362 176.519 -0.017 0.000 1.208 152 W CA 0.728 58.185 57.345 0.187 0.000 1.274 152 W CB -0.868 28.799 29.460 0.344 0.000 1.138 152 W HN 0.250 nan 8.180 nan 0.000 0.515 153 A N 0.734 123.675 122.820 0.202 0.000 1.873 153 A HA -0.298 4.018 4.320 -0.007 0.000 0.218 153 A C 1.907 179.468 177.584 -0.038 0.000 1.193 153 A CA 2.445 54.518 52.037 0.059 0.000 0.629 153 A CB -0.890 18.152 19.000 0.070 0.000 0.826 153 A HN 0.337 nan 8.150 nan 0.000 0.447 154 K N -0.373 119.982 120.400 -0.075 0.000 2.103 154 K HA -0.076 4.239 4.320 -0.007 0.000 0.207 154 K C 2.127 178.557 176.600 -0.284 0.000 1.048 154 K CA 1.223 57.408 56.287 -0.169 0.000 0.930 154 K CB -0.342 32.043 32.500 -0.192 0.000 0.716 154 K HN 0.469 nan 8.250 nan 0.000 0.444 155 A N 0.405 122.983 122.820 -0.404 0.000 2.066 155 A HA 0.063 4.379 4.320 -0.007 0.000 0.218 155 A C 1.686 179.086 177.584 -0.307 0.000 1.157 155 A CA 1.178 52.871 52.037 -0.574 0.000 0.670 155 A CB -0.623 17.719 19.000 -1.096 0.000 0.804 155 A HN 0.445 nan 8.150 nan 0.000 0.453 156 G N -1.783 106.911 108.800 -0.177 0.000 2.153 156 G HA2 -0.224 3.732 3.960 -0.007 0.000 0.252 156 G HA3 -0.224 3.732 3.960 -0.007 0.000 0.252 156 G C 0.049 174.915 174.900 -0.057 0.000 0.994 156 G CA 0.510 45.547 45.100 -0.104 0.000 0.698 156 G HN 0.469 nan 8.290 nan 0.000 0.521 157 L N 0.377 121.603 121.223 0.005 0.000 2.322 157 L HA 0.479 4.815 4.340 -0.007 0.000 0.279 157 L C 0.816 177.748 176.870 0.103 0.000 1.036 157 L CA -0.927 53.984 54.840 0.119 0.000 0.807 157 L CB 1.159 43.383 42.059 0.275 0.000 1.226 157 L HN 0.221 nan 8.230 nan 0.000 0.433 158 E N 1.388 121.566 120.200 -0.036 0.000 2.392 158 E HA 0.128 4.473 4.350 -0.007 0.000 0.259 158 E C -1.304 175.109 176.600 -0.312 0.000 1.108 158 E CA -0.445 55.797 56.400 -0.263 0.000 0.916 158 E CB 0.557 30.154 29.700 -0.171 0.000 0.989 158 E HN 0.233 nan 8.360 nan 0.000 0.432 159 Y N 1.105 121.159 120.300 -0.410 0.000 2.497 159 Y HA 0.106 4.652 4.550 -0.007 0.000 0.334 159 Y C -1.841 173.748 175.900 -0.519 0.000 1.199 159 Y CA -2.605 54.965 58.100 -0.883 0.000 1.425 159 Y CB -0.524 37.453 38.460 -0.806 0.000 1.291 159 Y HN 0.305 nan 8.280 nan 0.000 0.562 160 P HA 0.138 nan 4.420 nan 0.000 0.271 160 P C -0.314 176.837 177.300 -0.248 0.000 1.216 160 P CA -0.204 62.748 63.100 -0.247 0.000 0.771 160 P CB 0.833 32.368 31.700 -0.276 0.000 0.864 161 K N 0.020 120.312 120.400 -0.180 0.000 2.354 161 K HA 0.117 4.432 4.320 -0.007 0.000 0.194 161 K C 0.806 177.289 176.600 -0.195 0.000 1.038 161 K CA 0.456 56.646 56.287 -0.161 0.000 1.052 161 K CB 0.375 32.819 32.500 -0.092 0.000 0.861 161 K HN 0.597 nan 8.250 nan 0.000 0.535 162 T N -4.154 110.282 114.554 -0.196 0.000 2.901 162 T HA 0.207 4.553 4.350 -0.007 0.000 0.293 162 T C 0.166 174.759 174.700 -0.179 0.000 1.084 162 T CA -0.930 61.072 62.100 -0.163 0.000 1.008 162 T CB 0.775 69.631 68.868 -0.021 0.000 1.170 162 T HN 0.164 nan 8.240 nan 0.000 0.509 163 W N 0.575 121.855 121.300 -0.033 0.000 2.342 163 W HA -0.013 4.642 4.660 -0.007 0.000 0.297 163 W C 1.875 178.361 176.519 -0.055 0.000 1.213 163 W CA 1.074 58.398 57.345 -0.036 0.000 1.251 163 W CB -0.271 29.242 29.460 0.089 0.000 1.136 163 W HN 0.731 nan 8.180 nan 0.000 0.526 164 D N 0.109 120.622 120.400 0.189 0.000 2.117 164 D HA -0.169 4.467 4.640 -0.007 0.000 0.197 164 D C 1.791 178.116 176.300 0.042 0.000 0.987 164 D CA 1.489 55.545 54.000 0.094 0.000 0.829 164 D CB -0.504 40.342 40.800 0.075 0.000 0.961 164 D HN 0.304 nan 8.370 nan 0.000 0.460 165 E N -0.006 120.201 120.200 0.011 0.000 2.118 165 E HA -0.172 4.174 4.350 -0.007 0.000 0.195 165 E C 2.083 178.678 176.600 -0.009 0.000 0.992 165 E CA 0.342 56.736 56.400 -0.011 0.000 0.804 165 E CB -0.078 29.596 29.700 -0.043 0.000 0.741 165 E HN 0.126 nan 8.360 nan 0.000 0.458 166 L N 0.665 121.860 121.223 -0.048 0.000 1.994 166 L HA -0.191 4.144 4.340 -0.007 0.000 0.208 166 L C 2.002 178.883 176.870 0.017 0.000 1.071 166 L CA 1.596 56.408 54.840 -0.046 0.000 0.745 166 L CB -0.335 41.644 42.059 -0.134 0.000 0.892 166 L HN 0.063 nan 8.230 nan 0.000 0.431 167 L N 0.000 121.241 121.223 0.029 0.000 2.201 167 L HA -0.046 4.289 4.340 -0.007 0.000 0.212 167 L C 2.549 179.429 176.870 0.018 0.000 1.105 167 L CA 1.739 56.591 54.840 0.021 0.000 0.775 167 L CB -1.358 40.708 42.059 0.012 0.000 0.913 167 L HN 0.389 nan 8.230 nan 0.000 0.440 168 A N -1.168 121.665 122.820 0.021 0.000 2.169 168 A HA 0.180 4.496 4.320 -0.007 0.000 0.212 168 A C 2.406 180.008 177.584 0.030 0.000 1.153 168 A CA 0.963 53.012 52.037 0.020 0.000 0.756 168 A CB -0.508 18.503 19.000 0.018 0.000 0.813 168 A HN 0.310 nan 8.150 nan 0.000 0.471 169 A N -0.295 122.548 122.820 0.039 0.000 2.014 169 A HA 0.223 4.539 4.320 -0.007 0.000 0.218 169 A C 2.246 179.844 177.584 0.023 0.000 1.163 169 A CA 1.518 53.584 52.037 0.047 0.000 0.652 169 A CB -1.000 18.040 19.000 0.066 0.000 0.808 169 A HN 0.589 nan 8.150 nan 0.000 0.449 170 G N 0.097 108.905 108.800 0.014 0.000 2.421 170 G HA2 -0.280 3.676 3.960 -0.007 0.000 0.216 170 G HA3 -0.280 3.676 3.960 -0.007 0.000 0.216 170 G C 1.625 176.568 174.900 0.072 0.000 1.171 170 G CA 1.197 46.331 45.100 0.057 0.000 0.775 170 G HN 0.577 nan 8.290 nan 0.000 0.543 171 K N 0.047 120.459 120.400 0.019 0.000 2.074 171 K HA -0.104 4.212 4.320 -0.007 0.000 0.209 171 K C 2.548 179.122 176.600 -0.043 0.000 1.048 171 K CA 1.606 57.870 56.287 -0.039 0.000 0.926 171 K CB -0.285 32.197 32.500 -0.030 0.000 0.713 171 K HN 0.197 nan 8.250 nan 0.000 0.444 172 V N 0.809 120.726 119.914 0.005 0.000 2.295 172 V HA -0.228 3.888 4.120 -0.007 0.000 0.246 172 V C 2.130 178.201 176.094 -0.038 0.000 1.049 172 V CA 1.783 64.073 62.300 -0.017 0.000 1.024 172 V CB -0.642 31.183 31.823 0.004 0.000 0.648 172 V HN 0.233 nan 8.190 nan 0.000 0.447 173 F N 0.827 120.662 119.950 -0.192 0.000 2.065 173 F HA -0.226 4.297 4.527 -0.007 0.000 0.298 173 F C 2.498 178.192 175.800 -0.178 0.000 1.112 173 F CA 2.291 60.177 58.000 -0.189 0.000 1.212 173 F CB -0.578 38.343 39.000 -0.132 0.000 0.975 173 F HN 0.066 nan 8.300 nan 0.000 0.476 174 K N 0.155 120.510 120.400 -0.075 0.000 2.103 174 K HA -0.201 4.114 4.320 -0.007 0.000 0.207 174 K C 1.830 178.296 176.600 -0.224 0.000 1.048 174 K CA 1.954 58.035 56.287 -0.344 0.000 0.930 174 K CB -0.107 31.972 32.500 -0.701 0.000 0.716 174 K HN 0.340 nan 8.250 nan 0.000 0.444 175 E N -0.333 119.763 120.200 -0.174 0.000 2.127 175 E HA -0.091 4.255 4.350 -0.007 0.000 0.191 175 E C 1.913 178.424 176.600 -0.149 0.000 0.964 175 E CA 0.575 56.889 56.400 -0.144 0.000 0.832 175 E CB 0.175 29.805 29.700 -0.117 0.000 0.790 175 E HN 0.175 nan 8.360 nan 0.000 0.465 176 K N 0.892 121.182 120.400 -0.183 0.000 2.062 176 K HA -0.051 4.265 4.320 -0.007 0.000 0.205 176 K C 1.750 178.179 176.600 -0.285 0.000 1.051 176 K CA 1.074 57.226 56.287 -0.226 0.000 0.941 176 K CB 0.198 32.537 32.500 -0.267 0.000 0.719 176 K HN 0.034 nan 8.250 nan 0.000 0.440 177 L N -1.410 119.596 121.223 -0.362 0.000 2.500 177 L HA 0.381 4.717 4.340 -0.007 0.000 0.219 177 L C 0.577 177.281 176.870 -0.276 0.000 1.057 177 L CA -0.024 54.498 54.840 -0.530 0.000 0.854 177 L CB 0.933 42.354 42.059 -1.064 0.000 1.078 177 L HN 0.404 nan 8.230 nan 0.000 0.480 178 G N -0.390 108.369 108.800 -0.068 0.000 2.335 178 G HA2 -0.115 3.840 3.960 -0.007 0.000 0.592 178 G HA3 -0.115 3.840 3.960 -0.007 0.000 0.592 178 G C -0.844 174.138 174.900 0.137 0.000 1.442 178 G CA -0.529 44.625 45.100 0.089 0.000 0.976 178 G HN -0.118 nan 8.290 nan 0.000 0.652 179 D N 0.137 120.575 120.400 0.063 0.000 2.228 179 D HA -0.133 4.503 4.640 -0.007 0.000 0.203 179 D C 2.579 178.992 176.300 0.188 0.000 0.988 179 D CA 1.709 55.722 54.000 0.022 0.000 0.864 179 D CB 0.174 41.003 40.800 0.048 0.000 0.928 179 D HN 0.644 nan 8.370 nan 0.000 0.469 180 Q N -0.203 119.772 119.800 0.291 0.000 2.389 180 Q HA -0.133 4.202 4.340 -0.007 0.000 0.204 180 Q C -0.012 176.225 176.000 0.396 0.000 0.944 180 Q CA 0.379 56.425 55.803 0.404 0.000 0.908 180 Q CB -0.352 28.563 28.738 0.294 0.000 1.002 180 Q HN 0.301 nan 8.270 nan 0.000 0.493 181 Y N 0.505 120.995 120.300 0.317 0.000 2.316 181 Y HA 0.362 4.908 4.550 -0.007 0.000 0.331 181 Y C -0.643 175.430 175.900 0.288 0.000 1.083 181 Y CA -0.480 57.850 58.100 0.384 0.000 1.206 181 Y CB 0.744 39.347 38.460 0.238 0.000 1.195 181 Y HN -0.061 nan 8.280 nan 0.000 0.497 182 Y N 3.591 124.224 120.300 0.555 0.000 2.457 182 Y HA 0.274 4.820 4.550 -0.007 0.000 0.343 182 Y C -1.849 173.917 175.900 -0.223 0.000 0.994 182 Y CA -2.450 55.738 58.100 0.146 0.000 1.031 182 Y CB 1.931 40.375 38.460 -0.027 0.000 1.246 182 Y HN 0.401 nan 8.280 nan 0.000 0.449 183 P HA -0.158 nan 4.420 nan 0.000 0.215 183 P C -0.207 177.187 177.300 0.157 0.000 1.153 183 P CA 1.558 64.150 63.100 -0.846 0.000 0.853 183 P CB 0.274 31.682 31.700 -0.486 0.000 0.788 184 V N -5.857 114.199 119.914 0.237 0.000 3.181 184 V HA 0.659 4.774 4.120 -0.007 0.000 0.308 184 V C -0.858 175.346 176.094 0.183 0.000 1.214 184 V CA -1.327 61.186 62.300 0.355 0.000 1.053 184 V CB 2.152 34.202 31.823 0.377 0.000 1.069 184 V HN -0.192 nan 8.190 nan 0.000 0.441 185 V N 2.407 122.440 119.914 0.199 0.000 2.628 185 V HA 0.758 4.873 4.120 -0.007 0.000 0.306 185 V C -0.976 175.117 176.094 -0.001 0.000 1.045 185 V CA -0.614 61.645 62.300 -0.067 0.000 0.905 185 V CB 1.511 33.279 31.823 -0.091 0.000 0.997 185 V HN 0.868 nan 8.190 nan 0.000 0.436 186 L N 6.025 127.201 121.223 -0.079 0.000 2.376 186 L HA 0.598 4.933 4.340 -0.007 0.000 0.275 186 L C 0.006 176.809 176.870 -0.112 0.000 0.987 186 L CA -0.447 54.372 54.840 -0.035 0.000 0.828 186 L CB 1.974 44.051 42.059 0.031 0.000 1.249 186 L HN 0.666 nan 8.230 nan 0.000 0.409 187 E N 1.744 121.873 120.200 -0.119 0.000 2.345 187 E HA 0.069 4.414 4.350 -0.007 0.000 0.259 187 E C 0.673 177.234 176.600 -0.064 0.000 1.117 187 E CA -0.434 55.844 56.400 -0.202 0.000 0.913 187 E CB 0.857 30.459 29.700 -0.164 0.000 1.057 187 E HN 0.634 nan 8.360 nan 0.000 0.432 188 H N 1.107 120.189 119.070 0.021 0.000 2.352 188 H HA -0.223 4.329 4.556 -0.007 0.000 0.299 188 H C 1.738 177.241 175.328 0.293 0.000 1.097 188 H CA 1.662 57.828 56.048 0.197 0.000 1.311 188 H CB 0.030 29.886 29.762 0.157 0.000 1.377 188 H HN 0.584 nan 8.280 nan 0.000 0.504 189 Q N 1.068 120.804 119.800 -0.108 0.000 2.124 189 Q HA -0.144 4.192 4.340 -0.007 0.000 0.202 189 Q C 1.439 177.490 176.000 0.084 0.000 0.977 189 Q CA 1.765 57.592 55.803 0.040 0.000 0.850 189 Q CB 0.153 28.880 28.738 -0.018 0.000 0.901 189 Q HN 0.490 nan 8.270 nan 0.000 0.429 190 D N -0.318 120.104 120.400 0.038 0.000 2.084 190 D HA -0.136 4.500 4.640 -0.007 0.000 0.194 190 D C 1.884 178.284 176.300 0.166 0.000 0.990 190 D CA 1.833 55.881 54.000 0.081 0.000 0.826 190 D CB -0.733 40.080 40.800 0.021 0.000 0.971 190 D HN 0.229 nan 8.370 nan 0.000 0.453 191 T N 1.681 116.329 114.554 0.155 0.000 2.665 191 T HA -0.183 4.163 4.350 -0.007 0.000 0.268 191 T C 1.920 176.672 174.700 0.086 0.000 1.035 191 T CA 0.911 63.124 62.100 0.189 0.000 1.151 191 T CB -0.497 68.606 68.868 0.393 0.000 0.862 191 T HN 0.028 nan 8.240 nan 0.000 0.438 192 L N 1.573 122.746 121.223 -0.084 0.000 2.013 192 L HA -0.089 4.246 4.340 -0.007 0.000 0.212 192 L C 2.623 179.657 176.870 0.273 0.000 1.073 192 L CA 2.202 56.827 54.840 -0.359 0.000 0.753 192 L CB -1.224 40.489 42.059 -0.575 0.000 0.890 192 L HN 0.253 nan 8.230 nan 0.000 0.432 193 A N -0.762 122.304 122.820 0.409 0.000 1.908 193 A HA -0.216 4.099 4.320 -0.007 0.000 0.218 193 A C 2.382 180.217 177.584 0.419 0.000 1.181 193 A CA 2.056 54.454 52.037 0.603 0.000 0.627 193 A CB -0.980 18.404 19.000 0.640 0.000 0.818 193 A HN 0.588 nan 8.150 nan 0.000 0.445 194 L N -0.501 120.828 121.223 0.177 0.000 2.005 194 L HA -0.113 4.223 4.340 -0.007 0.000 0.207 194 L C 2.358 179.201 176.870 -0.045 0.000 1.072 194 L CA 1.738 56.484 54.840 -0.157 0.000 0.744 194 L CB -0.258 41.528 42.059 -0.456 0.000 0.895 194 L HN 0.424 nan 8.230 nan 0.000 0.433 195 I N -0.376 120.075 120.570 -0.198 0.000 2.315 195 I HA -0.269 3.897 4.170 -0.007 0.000 0.248 195 I C 2.743 178.610 176.117 -0.416 0.000 1.117 195 I CA 1.122 62.084 61.300 -0.564 0.000 1.404 195 I CB -0.457 36.849 38.000 -1.157 0.000 1.071 195 I HN 0.323 nan 8.210 nan 0.000 0.419 196 R N 0.871 121.359 120.500 -0.021 0.000 2.091 196 R HA -0.220 4.116 4.340 -0.007 0.000 0.238 196 R C 2.472 178.839 176.300 0.113 0.000 1.136 196 R CA 2.013 58.239 56.100 0.210 0.000 0.959 196 R CB -0.317 30.104 30.300 0.202 0.000 0.856 196 R HN 0.277 nan 8.270 nan 0.000 0.437 197 S N -0.445 115.359 115.700 0.173 0.000 2.368 197 S HA -0.242 4.224 4.470 -0.007 0.000 0.225 197 S C 1.846 176.563 174.600 0.194 0.000 1.030 197 S CA 1.346 59.715 58.200 0.281 0.000 0.999 197 S CB -0.541 62.993 63.200 0.556 0.000 0.844 197 S HN 0.611 nan 8.310 nan 0.000 0.459 198 Y N 1.603 121.788 120.300 -0.192 0.000 2.128 198 Y HA -0.118 4.427 4.550 -0.007 0.000 0.284 198 Y C 2.284 177.960 175.900 -0.372 0.000 1.154 198 Y CA 2.193 59.900 58.100 -0.656 0.000 1.149 198 Y CB -0.294 37.351 38.460 -1.359 0.000 0.976 198 Y HN 0.240 nan 8.280 nan 0.000 0.505 199 M N -0.576 118.930 119.600 -0.157 0.000 2.213 199 M HA -0.177 4.299 4.480 -0.007 0.000 0.263 199 M C 1.986 178.252 176.300 -0.057 0.000 1.062 199 M CA 1.836 57.067 55.300 -0.116 0.000 1.105 199 M CB -1.474 31.043 32.600 -0.138 0.000 1.385 199 M HN 0.258 nan 8.290 nan 0.000 0.417 200 T N 0.749 115.301 114.554 -0.003 0.000 2.777 200 T HA -0.153 4.193 4.350 -0.007 0.000 0.266 200 T C 1.929 176.606 174.700 -0.037 0.000 1.040 200 T CA 1.186 63.303 62.100 0.030 0.000 1.141 200 T CB -0.178 68.729 68.868 0.064 0.000 0.868 200 T HN 0.461 nan 8.240 nan 0.000 0.444 201 Q N 0.643 120.390 119.800 -0.087 0.000 2.112 201 Q HA -0.164 4.172 4.340 -0.007 0.000 0.206 201 Q C 2.357 178.199 176.000 -0.263 0.000 0.987 201 Q CA 1.455 57.182 55.803 -0.127 0.000 0.858 201 Q CB -0.173 28.516 28.738 -0.081 0.000 0.905 201 Q HN 0.426 nan 8.270 nan 0.000 0.420 202 K N -0.511 119.608 120.400 -0.468 0.000 2.076 202 K HA -0.098 4.217 4.320 -0.007 0.000 0.204 202 K C 1.146 177.349 176.600 -0.663 0.000 1.051 202 K CA 1.003 56.881 56.287 -0.681 0.000 0.949 202 K CB 0.237 32.118 32.500 -1.032 0.000 0.726 202 K HN 0.150 nan 8.250 nan 0.000 0.443 203 Y N -0.603 119.594 120.300 -0.171 0.000 2.444 203 Y HA 0.206 4.751 4.550 -0.007 0.000 0.252 203 Y C 0.276 176.141 175.900 -0.057 0.000 1.091 203 Y CA -0.271 57.762 58.100 -0.112 0.000 1.276 203 Y CB 0.296 38.673 38.460 -0.138 0.000 1.170 203 Y HN 0.098 nan 8.280 nan 0.000 0.517 204 N N 1.010 119.749 118.700 0.066 0.000 2.727 204 N HA -0.208 4.527 4.740 -0.007 0.000 0.249 204 N C -0.913 174.646 175.510 0.082 0.000 1.048 204 N CA 0.901 53.983 53.050 0.053 0.000 0.714 204 N CB -1.374 37.125 38.487 0.019 0.000 0.959 204 N HN 0.572 nan 8.380 nan 0.000 0.544 205 I N -3.814 116.828 120.570 0.120 0.000 2.646 205 I HA 0.755 4.921 4.170 -0.007 0.000 0.299 205 I C -2.239 173.955 176.117 0.128 0.000 1.036 205 I CA -2.443 58.929 61.300 0.120 0.000 1.074 205 I CB 1.990 40.069 38.000 0.131 0.000 1.258 205 I HN -0.227 nan 8.210 nan 0.000 0.430 206 P HA 0.117 nan 4.420 nan 0.000 0.267 206 P C 0.394 177.721 177.300 0.045 0.000 1.200 206 P CA -0.079 63.059 63.100 0.063 0.000 0.772 206 P CB 0.568 32.304 31.700 0.059 0.000 0.855 207 T N 1.078 115.617 114.554 -0.026 0.000 2.904 207 T HA 0.042 4.388 4.350 -0.007 0.000 0.267 207 T C 0.953 175.650 174.700 -0.006 0.000 1.059 207 T CA 1.030 63.011 62.100 -0.198 0.000 1.137 207 T CB -0.227 68.538 68.868 -0.172 0.000 0.879 207 T HN 0.279 nan 8.240 nan 0.000 0.467 208 I N 1.500 122.126 120.570 0.094 0.000 2.474 208 I HA 0.263 4.429 4.170 -0.007 0.000 0.294 208 I C -0.727 175.423 176.117 0.055 0.000 1.005 208 I CA -0.890 60.471 61.300 0.100 0.000 1.113 208 I CB 1.895 39.958 38.000 0.104 0.000 1.289 208 I HN -0.072 nan 8.210 nan 0.000 0.436 209 D N 6.141 126.557 120.400 0.027 0.000 2.428 209 D HA 0.122 4.758 4.640 -0.007 0.000 0.221 209 D C 0.687 176.981 176.300 -0.010 0.000 1.123 209 D CA 0.059 54.072 54.000 0.022 0.000 0.869 209 D CB 0.979 41.797 40.800 0.029 0.000 1.032 209 D HN 0.538 nan 8.370 nan 0.000 0.506 210 E N 2.149 122.357 120.200 0.013 0.000 2.107 210 E HA -0.111 4.235 4.350 -0.007 0.000 0.191 210 E C 1.858 178.445 176.600 -0.022 0.000 0.982 210 E CA 0.694 57.093 56.400 -0.002 0.000 0.809 210 E CB 0.209 29.946 29.700 0.062 0.000 0.756 210 E HN 0.620 nan 8.360 nan 0.000 0.459 211 A N 1.823 124.642 122.820 -0.003 0.000 1.892 211 A HA -0.247 4.069 4.320 -0.007 0.000 0.218 211 A C 1.602 179.170 177.584 -0.026 0.000 1.188 211 A CA 1.963 53.995 52.037 -0.007 0.000 0.631 211 A CB -0.638 18.365 19.000 0.006 0.000 0.822 211 A HN 0.225 nan 8.150 nan 0.000 0.447 212 N N -0.619 118.064 118.700 -0.029 0.000 2.322 212 N HA 0.158 4.894 4.740 -0.007 0.000 0.194 212 N C -0.674 174.791 175.510 -0.074 0.000 1.126 212 N CA 0.009 53.036 53.050 -0.038 0.000 0.845 212 N CB 0.059 38.537 38.487 -0.015 0.000 0.976 212 N HN 0.387 nan 8.380 nan 0.000 0.475 213 K N 1.061 121.394 120.400 -0.111 0.000 3.777 213 K HA -0.273 4.043 4.320 -0.007 0.000 0.276 213 K C -0.877 175.602 176.600 -0.202 0.000 0.877 213 K CA 0.736 56.910 56.287 -0.188 0.000 0.724 213 K CB -1.593 30.785 32.500 -0.202 0.000 1.589 213 K HN 0.495 nan 8.250 nan 0.000 0.444 214 K N -1.330 118.956 120.400 -0.190 0.000 2.607 214 K HA 0.415 4.730 4.320 -0.007 0.000 0.287 214 K C -0.882 175.627 176.600 -0.152 0.000 0.996 214 K CA -1.190 54.985 56.287 -0.188 0.000 0.876 214 K CB 0.678 33.144 32.500 -0.056 0.000 1.496 214 K HN -0.149 nan 8.250 nan 0.000 0.415 215 F N 1.049 121.035 119.950 0.061 0.000 2.563 215 F HA 0.215 4.737 4.527 -0.007 0.000 0.363 215 F C 1.632 177.476 175.800 0.073 0.000 1.123 215 F CA 0.575 58.643 58.000 0.112 0.000 1.307 215 F CB 1.115 40.330 39.000 0.359 0.000 1.115 215 F HN 0.874 nan 8.300 nan 0.000 0.592 216 A N 2.581 125.511 122.820 0.184 0.000 2.072 216 A HA -0.000 4.315 4.320 -0.007 0.000 0.216 216 A C 0.231 177.904 177.584 0.148 0.000 1.156 216 A CA 0.337 52.440 52.037 0.110 0.000 0.701 216 A CB -0.662 18.377 19.000 0.066 0.000 0.816 216 A HN 0.501 nan 8.150 nan 0.000 0.458 217 Y N 1.701 121.982 120.300 -0.032 0.000 2.511 217 Y HA 0.265 4.810 4.550 -0.007 0.000 0.332 217 Y C 1.460 177.292 175.900 -0.113 0.000 1.177 217 Y CA -0.761 57.144 58.100 -0.324 0.000 1.422 217 Y CB -0.010 37.799 38.460 -1.084 0.000 1.271 217 Y HN 0.291 nan 8.280 nan 0.000 0.550 218 S N 3.759 119.480 115.700 0.035 0.000 2.580 218 S HA 0.101 4.567 4.470 -0.007 0.000 0.266 218 S C -1.779 172.919 174.600 0.164 0.000 1.354 218 S CA -0.994 57.251 58.200 0.074 0.000 1.008 218 S CB 0.995 64.189 63.200 -0.009 0.000 0.898 218 S HN 0.426 nan 8.310 nan 0.000 0.555 219 P HA -0.083 nan 4.420 nan 0.000 0.217 219 P C 1.334 178.778 177.300 0.241 0.000 1.148 219 P CA 1.225 64.494 63.100 0.281 0.000 0.828 219 P CB 0.059 31.868 31.700 0.182 0.000 0.783 220 E N -0.291 119.985 120.200 0.126 0.000 2.107 220 E HA -0.156 4.190 4.350 -0.007 0.000 0.191 220 E C 2.070 178.693 176.600 0.040 0.000 0.982 220 E CA 1.319 57.768 56.400 0.082 0.000 0.809 220 E CB -0.650 29.069 29.700 0.030 0.000 0.756 220 E HN 0.247 nan 8.360 nan 0.000 0.459 221 Q N -1.404 118.339 119.800 -0.094 0.000 2.167 221 Q HA -0.122 4.214 4.340 -0.007 0.000 0.202 221 Q C 1.813 177.743 176.000 -0.116 0.000 0.970 221 Q CA 1.335 56.966 55.803 -0.287 0.000 0.855 221 Q CB -0.219 28.112 28.738 -0.679 0.000 0.911 221 Q HN 0.421 nan 8.270 nan 0.000 0.438 222 W N -0.428 120.976 121.300 0.174 0.000 2.388 222 W HA -0.143 4.513 4.660 -0.007 0.000 0.294 222 W C 2.055 178.807 176.519 0.389 0.000 1.212 222 W CA 0.233 57.768 57.345 0.317 0.000 1.271 222 W CB -0.062 29.592 29.460 0.324 0.000 1.126 222 W HN -0.073 nan 8.180 nan 0.000 0.535 223 V N 0.451 120.644 119.914 0.464 0.000 2.287 223 V HA -0.362 3.753 4.120 -0.007 0.000 0.248 223 V C 2.067 178.350 176.094 0.315 0.000 1.053 223 V CA 2.351 64.862 62.300 0.351 0.000 1.027 223 V CB -0.993 30.960 31.823 0.216 0.000 0.646 223 V HN 0.240 nan 8.190 nan 0.000 0.447 224 E N -0.638 119.691 120.200 0.216 0.000 2.118 224 E HA -0.271 4.075 4.350 -0.007 0.000 0.195 224 E C 2.073 178.756 176.600 0.138 0.000 0.992 224 E CA 1.599 58.083 56.400 0.141 0.000 0.804 224 E CB -0.193 29.557 29.700 0.085 0.000 0.741 224 E HN 0.614 nan 8.360 nan 0.000 0.458 225 F N -0.373 119.605 119.950 0.046 0.000 2.084 225 F HA -0.177 4.346 4.527 -0.007 0.000 0.296 225 F C 1.702 177.467 175.800 -0.059 0.000 1.111 225 F CA 1.447 59.418 58.000 -0.048 0.000 1.224 225 F CB -0.129 38.863 39.000 -0.014 0.000 0.991 225 F HN 0.021 nan 8.300 nan 0.000 0.471 226 F N -0.103 120.160 119.950 0.522 0.000 2.325 226 F HA -0.109 4.414 4.527 -0.007 0.000 0.299 226 F C 2.447 178.414 175.800 0.279 0.000 1.090 226 F CA 1.432 59.669 58.000 0.395 0.000 1.392 226 F CB -1.214 37.966 39.000 0.300 0.000 1.053 226 F HN -0.161 nan 8.300 nan 0.000 0.521 227 T N 0.247 115.006 114.554 0.343 0.000 2.788 227 T HA -0.256 4.090 4.350 -0.007 0.000 0.268 227 T C 2.063 176.814 174.700 0.086 0.000 1.044 227 T CA 1.433 63.648 62.100 0.191 0.000 1.139 227 T CB -0.313 68.636 68.868 0.135 0.000 0.867 227 T HN 0.287 nan 8.240 nan 0.000 0.454 228 M N 0.056 119.660 119.600 0.007 0.000 2.132 228 M HA -0.110 4.366 4.480 -0.007 0.000 0.263 228 M C 2.144 178.402 176.300 -0.070 0.000 1.065 228 M CA 1.534 56.748 55.300 -0.143 0.000 1.122 228 M CB -0.277 32.094 32.600 -0.382 0.000 1.365 228 M HN 0.286 nan 8.290 nan 0.000 0.411 229 Y N 1.068 121.333 120.300 -0.057 0.000 2.128 229 Y HA -0.328 4.218 4.550 -0.007 0.000 0.284 229 Y C 2.270 178.199 175.900 0.047 0.000 1.154 229 Y CA 2.517 60.632 58.100 0.025 0.000 1.149 229 Y CB -0.398 38.144 38.460 0.136 0.000 0.976 229 Y HN 0.245 nan 8.280 nan 0.000 0.505 230 K N -0.456 119.971 120.400 0.045 0.000 2.097 230 K HA -0.094 4.222 4.320 -0.007 0.000 0.205 230 K C 1.990 178.534 176.600 -0.095 0.000 1.050 230 K CA 1.978 58.247 56.287 -0.031 0.000 0.938 230 K CB -0.595 31.986 32.500 0.135 0.000 0.718 230 K HN 0.325 nan 8.250 nan 0.000 0.442 231 T N 1.020 115.534 114.554 -0.065 0.000 2.684 231 T HA -0.161 4.185 4.350 -0.007 0.000 0.267 231 T C 1.765 176.406 174.700 -0.099 0.000 1.036 231 T CA 2.005 64.064 62.100 -0.069 0.000 1.148 231 T CB -0.194 68.632 68.868 -0.070 0.000 0.863 231 T HN 0.232 nan 8.240 nan 0.000 0.436 232 M N 0.376 119.887 119.600 -0.148 0.000 2.159 232 M HA -0.060 4.416 4.480 -0.007 0.000 0.263 232 M C 2.464 178.672 176.300 -0.153 0.000 1.063 232 M CA 1.111 56.332 55.300 -0.132 0.000 1.110 232 M CB -0.554 31.966 32.600 -0.133 0.000 1.374 232 M HN 0.069 nan 8.290 nan 0.000 0.411 233 V N 0.519 120.261 119.914 -0.287 0.000 2.358 233 V HA -0.259 3.856 4.120 -0.007 0.000 0.246 233 V C 1.746 177.790 176.094 -0.082 0.000 1.047 233 V CA 1.912 64.066 62.300 -0.242 0.000 1.035 233 V CB -0.634 30.942 31.823 -0.411 0.000 0.658 233 V HN 0.387 nan 8.190 nan 0.000 0.452 234 D N 0.244 120.603 120.400 -0.068 0.000 2.144 234 D HA -0.110 4.526 4.640 -0.007 0.000 0.199 234 D C 1.697 178.009 176.300 0.020 0.000 0.984 234 D CA 1.042 55.037 54.000 -0.009 0.000 0.834 234 D CB -0.396 40.397 40.800 -0.012 0.000 0.955 234 D HN 0.365 nan 8.370 nan 0.000 0.465 235 N N -0.270 118.435 118.700 0.009 0.000 2.449 235 N HA -0.042 4.694 4.740 -0.007 0.000 0.191 235 N C -0.159 175.413 175.510 0.104 0.000 1.161 235 N CA 0.199 53.268 53.050 0.032 0.000 0.863 235 N CB -0.278 38.213 38.487 0.006 0.000 0.980 235 N HN 0.239 nan 8.380 nan 0.000 0.458 236 H N -2.147 116.910 119.070 -0.021 0.000 2.862 236 H HA -0.154 4.397 4.556 -0.007 0.000 0.290 236 H C 0.696 176.059 175.328 0.059 0.000 1.211 236 H CA 0.410 56.456 56.048 -0.003 0.000 1.140 236 H CB -1.339 28.342 29.762 -0.135 0.000 1.341 236 H HN -0.025 nan 8.280 nan 0.000 0.392 237 V N -0.415 119.539 119.914 0.067 0.000 2.379 237 V HA -0.119 3.997 4.120 -0.007 0.000 0.245 237 V C 1.539 177.689 176.094 0.093 0.000 1.044 237 V CA 2.059 64.389 62.300 0.050 0.000 1.036 237 V CB -0.278 31.558 31.823 0.021 0.000 0.664 237 V HN 0.606 nan 8.190 nan 0.000 0.453 238 M N -1.896 117.733 119.600 0.049 0.000 2.578 238 M HA 0.572 5.047 4.480 -0.007 0.000 0.276 238 M C -3.428 172.606 176.300 -0.444 0.000 1.245 238 M CA -2.103 53.115 55.300 -0.137 0.000 0.871 238 M CB 1.276 33.813 32.600 -0.106 0.000 1.722 238 M HN -0.187 nan 8.290 nan 0.000 0.473 239 P HA 0.079 nan 4.420 nan 0.000 0.264 239 P C -0.117 177.065 177.300 -0.198 0.000 1.183 239 P CA 0.420 63.108 63.100 -0.687 0.000 0.763 239 P CB 0.452 31.775 31.700 -0.629 0.000 0.807 240 S N 1.231 116.908 115.700 -0.039 0.000 2.596 240 S HA 0.063 4.528 4.470 -0.007 0.000 0.260 240 S C 1.491 176.180 174.600 0.148 0.000 1.336 240 S CA 0.453 58.689 58.200 0.059 0.000 0.993 240 S CB -0.031 63.196 63.200 0.044 0.000 0.923 240 S HN 0.582 nan 8.310 nan 0.000 0.567 241 T N -1.624 113.034 114.554 0.174 0.000 2.995 241 T HA -0.024 4.322 4.350 -0.007 0.000 0.269 241 T C 1.499 176.352 174.700 0.255 0.000 1.091 241 T CA 1.085 63.312 62.100 0.212 0.000 1.128 241 T CB -0.355 68.640 68.868 0.213 0.000 0.891 241 T HN 0.717 nan 8.240 nan 0.000 0.492 242 K N -0.346 120.078 120.400 0.041 0.000 2.031 242 K HA -0.074 4.242 4.320 -0.007 0.000 0.205 242 K C 2.171 178.860 176.600 0.149 0.000 1.049 242 K CA 0.821 57.035 56.287 -0.122 0.000 0.939 242 K CB -0.348 31.800 32.500 -0.587 0.000 0.717 242 K HN 0.361 nan 8.250 nan 0.000 0.438 243 Y N 0.325 120.676 120.300 0.085 0.000 2.181 243 Y HA -0.284 4.261 4.550 -0.007 0.000 0.288 243 Y C 2.057 178.177 175.900 0.367 0.000 1.146 243 Y CA 1.818 60.034 58.100 0.194 0.000 1.164 243 Y CB -0.563 38.006 38.460 0.183 0.000 0.982 243 Y HN 0.190 nan 8.280 nan 0.000 0.515 244 Y N 0.250 120.695 120.300 0.241 0.000 2.151 244 Y HA -0.284 4.262 4.550 -0.007 0.000 0.284 244 Y C 2.428 178.515 175.900 0.313 0.000 1.166 244 Y CA 1.942 60.196 58.100 0.255 0.000 1.163 244 Y CB -0.663 37.861 38.460 0.106 0.000 0.974 244 Y HN 0.159 nan 8.280 nan 0.000 0.511 245 A N -0.922 122.136 122.820 0.396 0.000 2.172 245 A HA -0.097 4.218 4.320 -0.007 0.000 0.216 245 A C 2.197 179.856 177.584 0.125 0.000 1.154 245 A CA 1.292 53.501 52.037 0.287 0.000 0.701 245 A CB -1.064 18.134 19.000 0.329 0.000 0.789 245 A HN 0.537 nan 8.150 nan 0.000 0.465 246 S N -1.798 113.907 115.700 0.008 0.000 2.607 246 S HA 0.107 4.573 4.470 -0.007 0.000 0.224 246 S C 1.215 175.565 174.600 -0.417 0.000 0.969 246 S CA 0.442 58.512 58.200 -0.217 0.000 0.927 246 S CB -0.617 62.376 63.200 -0.345 0.000 0.772 246 S HN 0.378 nan 8.310 nan 0.000 0.533 247 F N 1.881 121.754 119.950 -0.129 0.000 2.343 247 F HA 0.536 5.058 4.527 -0.007 0.000 0.286 247 F C 1.653 177.390 175.800 -0.106 0.000 1.057 247 F CA 0.784 58.690 58.000 -0.156 0.000 1.365 247 F CB 0.032 38.889 39.000 -0.238 0.000 1.114 247 F HN 0.513 nan 8.300 nan 0.000 0.545 248 G N -0.284 108.568 108.800 0.088 0.000 2.361 248 G HA2 0.127 4.082 3.960 -0.007 0.000 0.305 248 G HA3 0.127 4.082 3.960 -0.007 0.000 0.305 248 G C -0.713 174.226 174.900 0.065 0.000 1.367 248 G CA -0.454 44.679 45.100 0.055 0.000 0.951 248 G HN -0.006 nan 8.290 nan 0.000 0.615 249 K N 0.167 120.603 120.400 0.060 0.000 2.404 249 K HA 0.342 4.658 4.320 -0.007 0.000 0.194 249 K C 1.250 177.892 176.600 0.069 0.000 1.023 249 K CA 0.984 57.320 56.287 0.083 0.000 1.094 249 K CB -0.245 32.298 32.500 0.073 0.000 0.841 249 K HN 0.681 nan 8.250 nan 0.000 0.523 250 S N 1.481 117.197 115.700 0.028 0.000 2.553 250 S HA -0.045 4.421 4.470 -0.007 0.000 0.271 250 S C -0.049 174.528 174.600 -0.038 0.000 1.362 250 S CA -0.489 57.699 58.200 -0.021 0.000 1.010 250 S CB 0.009 63.174 63.200 -0.059 0.000 0.865 250 S HN 0.356 nan 8.310 nan 0.000 0.543 251 N N 1.615 120.223 118.700 -0.155 0.000 2.407 251 N HA -0.040 4.696 4.740 -0.007 0.000 0.250 251 N C 1.134 176.418 175.510 -0.378 0.000 1.236 251 N CA -0.145 52.707 53.050 -0.331 0.000 0.879 251 N CB 0.139 38.145 38.487 -0.801 0.000 1.088 251 N HN 0.629 nan 8.380 nan 0.000 0.450 252 M N 2.918 122.423 119.600 -0.160 0.000 2.108 252 M HA -0.205 4.271 4.480 -0.007 0.000 0.261 252 M C 1.093 177.311 176.300 -0.136 0.000 1.066 252 M CA 1.857 57.180 55.300 0.039 0.000 1.107 252 M CB -0.415 32.360 32.600 0.290 0.000 1.356 252 M HN 0.667 nan 8.290 nan 0.000 0.406 253 Y N -0.893 119.275 120.300 -0.221 0.000 2.632 253 Y HA 0.125 4.671 4.550 -0.007 0.000 0.301 253 Y C 1.314 177.214 175.900 -0.000 0.000 1.172 253 Y CA 0.427 58.270 58.100 -0.427 0.000 1.328 253 Y CB -0.979 37.066 38.460 -0.693 0.000 1.016 253 Y HN 0.338 nan 8.280 nan 0.000 0.529 254 E N 0.190 120.239 120.200 -0.252 0.000 2.526 254 E HA 0.219 4.565 4.350 -0.007 0.000 0.208 254 E C -0.013 176.551 176.600 -0.060 0.000 0.997 254 E CA -0.234 56.093 56.400 -0.122 0.000 0.961 254 E CB 0.298 29.843 29.700 -0.258 0.000 1.030 254 E HN 0.436 nan 8.360 nan 0.000 0.483 255 M N 0.811 120.374 119.600 -0.060 0.000 2.250 255 M HA 0.135 4.611 4.480 -0.007 0.000 0.344 255 M C 1.245 177.451 176.300 -0.157 0.000 1.150 255 M CA 0.125 55.335 55.300 -0.150 0.000 1.147 255 M CB 1.017 33.443 32.600 -0.290 0.000 1.498 255 M HN -0.172 nan 8.290 nan 0.000 0.461 256 K N 2.016 122.290 120.400 -0.210 0.000 2.009 256 K HA -0.136 4.180 4.320 -0.007 0.000 0.210 256 K C -0.835 175.555 176.600 -0.350 0.000 1.049 256 K CA 1.643 57.814 56.287 -0.193 0.000 0.929 256 K CB -0.985 31.450 32.500 -0.107 0.000 0.714 256 K HN 0.533 nan 8.250 nan 0.000 0.440 257 P HA -0.206 nan 4.420 nan 0.000 0.223 257 P C 1.027 177.933 177.300 -0.657 0.000 1.151 257 P CA 1.052 63.558 63.100 -0.991 0.000 0.787 257 P CB -0.223 30.197 31.700 -2.135 0.000 0.788 258 W N 1.308 122.275 121.300 -0.555 0.000 2.413 258 W HA -0.104 4.552 4.660 -0.007 0.000 0.315 258 W C 1.922 178.434 176.519 -0.011 0.000 1.186 258 W CA 0.823 58.126 57.345 -0.070 0.000 1.326 258 W CB -0.813 28.698 29.460 0.086 0.000 1.153 258 W HN -0.208 nan 8.180 nan 0.000 0.489 259 I N 1.818 122.356 120.570 -0.053 0.000 2.151 259 I HA -0.398 3.768 4.170 -0.007 0.000 0.243 259 I C 1.524 177.545 176.117 -0.159 0.000 1.080 259 I CA 1.703 62.947 61.300 -0.093 0.000 1.339 259 I CB -0.909 37.102 38.000 0.019 0.000 1.039 259 I HN -0.028 nan 8.210 nan 0.000 0.409 260 N N 0.938 119.549 118.700 -0.149 0.000 2.515 260 N HA 0.042 4.777 4.740 -0.007 0.000 0.191 260 N C 1.310 176.765 175.510 -0.093 0.000 1.182 260 N CA 1.003 53.989 53.050 -0.107 0.000 0.879 260 N CB 0.432 38.863 38.487 -0.092 0.000 0.984 260 N HN 0.549 nan 8.380 nan 0.000 0.453 261 G N 0.595 109.309 108.800 -0.144 0.000 2.176 261 G HA2 -0.332 3.624 3.960 -0.007 0.000 0.253 261 G HA3 -0.332 3.624 3.960 -0.007 0.000 0.253 261 G C 0.888 175.833 174.900 0.075 0.000 0.979 261 G CA 0.428 45.508 45.100 -0.034 0.000 0.641 261 G HN 0.425 nan 8.290 nan 0.000 0.530 262 E N -1.237 118.913 120.200 -0.084 0.000 2.107 262 E HA -0.001 4.345 4.350 -0.007 0.000 0.191 262 E C 0.408 177.236 176.600 0.379 0.000 0.982 262 E CA 0.737 57.037 56.400 -0.166 0.000 0.809 262 E CB 0.082 29.519 29.700 -0.438 0.000 0.756 262 E HN 0.552 nan 8.360 nan 0.000 0.459 263 W N 0.481 121.873 121.300 0.153 0.000 2.317 263 W HA 0.435 5.091 4.660 -0.008 0.000 0.327 263 W C 0.006 176.723 176.519 0.329 0.000 1.036 263 W CA -1.447 56.075 57.345 0.296 0.000 1.419 263 W CB 0.138 29.794 29.460 0.328 0.000 1.253 263 W HN -0.066 nan 8.180 nan 0.000 0.392 264 A N 2.706 125.878 122.820 0.587 0.000 2.640 264 A HA 0.641 4.957 4.320 -0.007 0.000 0.282 264 A C 0.828 178.893 177.584 0.800 0.000 1.357 264 A CA 0.457 52.854 52.037 0.599 0.000 0.946 264 A CB -0.429 18.967 19.000 0.660 0.000 1.065 264 A HN 0.654 nan 8.150 nan 0.000 0.541 265 G N -1.863 107.375 108.800 0.730 0.000 2.315 265 G HA2 0.481 4.437 3.960 -0.007 0.000 0.294 265 G HA3 0.481 4.437 3.960 -0.007 0.000 0.294 265 G C -1.002 174.228 174.900 0.551 0.000 1.300 265 G CA 0.267 45.753 45.100 0.643 0.000 0.843 265 G HN 0.716 nan 8.290 nan 0.000 0.527 266 T N -1.382 113.325 114.554 0.256 0.000 3.012 266 T HA 0.526 4.872 4.350 -0.007 0.000 0.330 266 T C -2.186 172.456 174.700 -0.097 0.000 1.321 266 T CA -0.389 61.743 62.100 0.054 0.000 1.067 266 T CB 1.503 70.289 68.868 -0.137 0.000 1.235 266 T HN 1.172 nan 8.240 nan 0.000 0.479 267 Y N 5.483 125.563 120.300 -0.366 0.000 2.491 267 Y HA 0.745 5.291 4.550 -0.007 0.000 0.334 267 Y C -0.641 174.922 175.900 -0.561 0.000 0.969 267 Y CA -0.948 56.780 58.100 -0.619 0.000 1.241 267 Y CB 0.810 38.850 38.460 -0.700 0.000 1.105 267 Y HN 0.692 nan 8.280 nan 0.000 0.503 268 M N 5.493 124.685 119.600 -0.680 0.000 2.433 268 M HA 0.383 4.858 4.480 -0.007 0.000 0.290 268 M C -1.938 174.043 176.300 -0.531 0.000 1.173 268 M CA -0.979 53.910 55.300 -0.684 0.000 0.905 268 M CB 1.476 33.703 32.600 -0.623 0.000 1.692 268 M HN 0.503 nan 8.290 nan 0.000 0.462 269 W N 5.119 126.221 121.300 -0.330 0.000 2.476 269 W HA 0.034 4.689 4.660 -0.007 0.000 0.338 269 W C 1.698 178.114 176.519 -0.173 0.000 1.328 269 W CA -0.009 57.185 57.345 -0.252 0.000 1.300 269 W CB 0.017 29.322 29.460 -0.258 0.000 1.252 269 W HN 0.774 nan 8.180 nan 0.000 0.568 270 N N 0.994 119.785 118.700 0.153 0.000 2.364 270 N HA -0.219 4.517 4.740 -0.007 0.000 0.183 270 N C 1.512 177.038 175.510 0.027 0.000 1.022 270 N CA 1.680 54.798 53.050 0.114 0.000 0.883 270 N CB -0.690 37.893 38.487 0.159 0.000 0.965 270 N HN 0.478 nan 8.380 nan 0.000 0.438 271 S N -1.482 114.241 115.700 0.038 0.000 2.489 271 S HA -0.010 4.455 4.470 -0.007 0.000 0.228 271 S C 1.389 175.960 174.600 -0.049 0.000 0.995 271 S CA 0.819 58.999 58.200 -0.034 0.000 0.934 271 S CB -0.177 62.968 63.200 -0.093 0.000 0.771 271 S HN 0.351 nan 8.310 nan 0.000 0.522 272 T N 0.416 114.969 114.554 -0.001 0.000 3.339 272 T HA 0.386 4.731 4.350 -0.007 0.000 0.292 272 T C 0.646 175.368 174.700 0.037 0.000 1.012 272 T CA -0.356 61.750 62.100 0.009 0.000 0.937 272 T CB -0.375 68.529 68.868 0.059 0.000 1.164 272 T HN 0.247 nan 8.240 nan 0.000 0.509 273 I N 2.063 122.587 120.570 -0.078 0.000 2.546 273 I HA 0.011 4.177 4.170 -0.007 0.000 0.255 273 I C 2.497 178.585 176.117 -0.048 0.000 1.163 273 I CA 1.739 62.927 61.300 -0.185 0.000 1.457 273 I CB -0.136 37.487 38.000 -0.628 0.000 1.092 273 I HN 0.458 nan 8.210 nan 0.000 0.434 274 T N -2.366 112.155 114.554 -0.056 0.000 2.995 274 T HA -0.192 4.154 4.350 -0.007 0.000 0.269 274 T C 1.982 176.641 174.700 -0.069 0.000 1.091 274 T CA 1.174 63.251 62.100 -0.038 0.000 1.128 274 T CB -0.527 68.311 68.868 -0.051 0.000 0.891 274 T HN 0.354 nan 8.240 nan 0.000 0.492 275 K N -0.509 119.795 120.400 -0.160 0.000 2.360 275 K HA -0.116 4.200 4.320 -0.007 0.000 0.201 275 K C 1.257 177.478 176.600 -0.631 0.000 1.046 275 K CA 1.265 57.263 56.287 -0.481 0.000 0.940 275 K CB -0.166 31.895 32.500 -0.731 0.000 0.748 275 K HN 0.585 nan 8.250 nan 0.000 0.465 276 Y N -0.984 119.229 120.300 -0.145 0.000 2.351 276 Y HA -0.011 4.534 4.550 -0.007 0.000 0.291 276 Y C 2.646 178.799 175.900 0.420 0.000 1.153 276 Y CA 0.771 58.906 58.100 0.058 0.000 1.193 276 Y CB -0.155 38.254 38.460 -0.084 0.000 1.187 276 Y HN 0.123 nan 8.280 nan 0.000 0.524 277 S N -0.384 115.548 115.700 0.386 0.000 2.474 277 S HA -0.137 4.329 4.470 -0.007 0.000 0.235 277 S C 1.187 175.897 174.600 0.184 0.000 0.997 277 S CA 1.364 59.732 58.200 0.280 0.000 0.949 277 S CB -0.322 62.963 63.200 0.141 0.000 0.766 277 S HN 0.291 nan 8.310 nan 0.000 0.517 278 D N 2.385 122.869 120.400 0.140 0.000 2.183 278 D HA 0.024 4.659 4.640 -0.007 0.000 0.203 278 D C 1.051 177.428 176.300 0.129 0.000 0.969 278 D CA 0.742 54.799 54.000 0.095 0.000 0.842 278 D CB -0.405 40.420 40.800 0.041 0.000 0.957 278 D HN 0.392 nan 8.370 nan 0.000 0.484 279 N N 0.135 118.963 118.700 0.213 0.000 2.383 279 N HA 0.066 4.801 4.740 -0.007 0.000 0.192 279 N C 0.383 176.007 175.510 0.190 0.000 1.141 279 N CA 0.023 53.215 53.050 0.237 0.000 0.851 279 N CB 0.357 39.044 38.487 0.333 0.000 0.976 279 N HN 0.250 nan 8.380 nan 0.000 0.465 280 L N 0.423 121.725 121.223 0.131 0.000 2.472 280 L HA 0.154 4.490 4.340 -0.007 0.000 0.260 280 L C 0.532 177.407 176.870 0.009 0.000 1.209 280 L CA 0.020 54.852 54.840 -0.013 0.000 0.817 280 L CB 0.348 42.382 42.059 -0.042 0.000 1.106 280 L HN -0.072 nan 8.230 nan 0.000 0.479 281 T N 2.345 116.888 114.554 -0.019 0.000 2.729 281 T HA 0.159 4.505 4.350 -0.007 0.000 0.296 281 T C 0.052 174.762 174.700 0.017 0.000 0.928 281 T CA -0.769 61.334 62.100 0.004 0.000 1.045 281 T CB 0.350 69.216 68.868 -0.004 0.000 0.902 281 T HN 0.311 nan 8.240 nan 0.000 0.500 282 K N 4.250 124.666 120.400 0.027 0.000 2.469 282 K HA 0.081 4.396 4.320 -0.007 0.000 0.274 282 K C -1.609 175.010 176.600 0.031 0.000 0.983 282 K CA -1.089 55.217 56.287 0.032 0.000 0.974 282 K CB 0.234 32.753 32.500 0.032 0.000 0.913 282 K HN 0.404 nan 8.250 nan 0.000 0.493 283 P HA 0.121 nan 4.420 nan 0.000 0.249 283 P C -0.555 176.777 177.300 0.053 0.000 1.544 283 P CA -0.166 62.959 63.100 0.042 0.000 0.932 283 P CB 0.170 31.894 31.700 0.041 0.000 1.524 284 A N 1.225 124.076 122.820 0.051 0.000 2.477 284 A HA 0.365 4.680 4.320 -0.007 0.000 0.246 284 A C 0.422 178.047 177.584 0.068 0.000 1.078 284 A CA 0.226 52.301 52.037 0.063 0.000 0.770 284 A CB 0.320 19.345 19.000 0.042 0.000 1.011 284 A HN -0.024 nan 8.150 nan 0.000 0.494 285 K N 1.878 122.334 120.400 0.094 0.000 2.328 285 K HA 0.505 4.821 4.320 -0.007 0.000 0.246 285 K C -0.744 175.936 176.600 0.133 0.000 0.955 285 K CA -0.620 55.728 56.287 0.102 0.000 0.817 285 K CB 1.754 34.313 32.500 0.098 0.000 1.208 285 K HN 0.660 nan 8.250 nan 0.000 0.432 286 L N 1.413 122.720 121.223 0.139 0.000 2.380 286 L HA 0.324 4.659 4.340 -0.007 0.000 0.273 286 L C -0.004 176.976 176.870 0.184 0.000 1.138 286 L CA -0.610 54.337 54.840 0.179 0.000 0.832 286 L CB 1.142 43.302 42.059 0.169 0.000 1.124 286 L HN 0.171 nan 8.230 nan 0.000 0.454 287 V N 5.220 125.246 119.914 0.186 0.000 2.760 287 V HA 0.317 4.432 4.120 -0.007 0.000 0.309 287 V C -0.493 175.607 176.094 0.009 0.000 1.077 287 V CA -0.933 61.436 62.300 0.116 0.000 0.910 287 V CB 2.248 34.110 31.823 0.065 0.000 1.008 287 V HN 0.537 nan 8.190 nan 0.000 0.424 288 L N 6.556 127.760 121.223 -0.031 0.000 2.584 288 L HA 0.509 4.845 4.340 -0.007 0.000 0.272 288 L C 0.778 177.467 176.870 -0.302 0.000 1.195 288 L CA 1.284 55.933 54.840 -0.319 0.000 0.920 288 L CB 0.269 42.209 42.059 -0.199 0.000 1.173 288 L HN 0.806 nan 8.230 nan 0.000 0.489 289 G N 5.266 113.840 108.800 -0.378 0.000 2.504 289 G HA2 0.548 4.504 3.960 -0.007 0.000 0.288 289 G HA3 0.548 4.504 3.960 -0.007 0.000 0.288 289 G C -2.643 172.225 174.900 -0.054 0.000 1.182 289 G CA -1.155 43.883 45.100 -0.104 0.000 0.894 289 G HN 0.609 nan 8.290 nan 0.000 0.521 290 P HA 0.113 nan 4.420 nan 0.000 0.271 290 P C -1.265 176.019 177.300 -0.025 0.000 1.233 290 P CA -0.134 62.956 63.100 -0.017 0.000 0.789 290 P CB 0.421 32.093 31.700 -0.047 0.000 0.951 291 Y N 2.010 122.261 120.300 -0.082 0.000 2.334 291 Y HA 0.348 4.893 4.550 -0.007 0.000 0.336 291 Y C -2.023 173.766 175.900 -0.185 0.000 0.960 291 Y CA -2.518 55.547 58.100 -0.059 0.000 1.164 291 Y CB 1.113 39.571 38.460 -0.003 0.000 1.155 291 Y HN 0.282 nan 8.280 nan 0.000 0.478 292 P HA 0.097 nan 4.420 nan 0.000 0.271 292 P C -0.910 176.238 177.300 -0.253 0.000 1.220 292 P CA 0.149 62.847 63.100 -0.671 0.000 0.768 292 P CB 0.842 31.642 31.700 -1.500 0.000 0.848 293 M N 3.792 123.377 119.600 -0.025 0.000 2.124 293 M HA 0.278 4.753 4.480 -0.007 0.000 0.280 293 M C -0.198 176.211 176.300 0.182 0.000 0.954 293 M CA -0.733 54.676 55.300 0.182 0.000 0.958 293 M CB 1.727 34.404 32.600 0.129 0.000 1.611 293 M HN 0.279 nan 8.290 nan 0.000 0.449 294 L N 6.284 127.666 121.223 0.265 0.000 2.540 294 L HA 0.071 4.406 4.340 -0.007 0.000 0.276 294 L C -1.544 175.358 176.870 0.054 0.000 1.212 294 L CA -1.270 53.656 54.840 0.142 0.000 0.893 294 L CB -0.173 41.880 42.059 -0.009 0.000 1.138 294 L HN 0.310 nan 8.230 nan 0.000 0.491 295 P HA -0.069 nan 4.420 nan 0.000 0.261 295 P C 0.861 178.150 177.300 -0.017 0.000 1.173 295 P CA 0.941 64.046 63.100 0.009 0.000 0.760 295 P CB 0.600 32.304 31.700 0.007 0.000 0.783 296 G N 1.831 110.620 108.800 -0.018 0.000 2.205 296 G HA2 -0.225 3.731 3.960 -0.007 0.000 0.261 296 G HA3 -0.225 3.731 3.960 -0.007 0.000 0.261 296 G C 0.445 175.320 174.900 -0.042 0.000 0.980 296 G CA 0.123 45.203 45.100 -0.032 0.000 0.632 296 G HN 0.898 nan 8.290 nan 0.000 0.533 297 A N 0.039 122.838 122.820 -0.035 0.000 2.520 297 A HA 0.569 4.885 4.320 -0.007 0.000 0.245 297 A C 1.182 178.755 177.584 -0.018 0.000 1.072 297 A CA 1.291 53.307 52.037 -0.035 0.000 0.761 297 A CB 0.211 19.210 19.000 -0.002 0.000 1.004 297 A HN 0.464 nan 8.150 nan 0.000 0.499 298 K N 0.448 120.835 120.400 -0.021 0.000 2.393 298 K HA 0.084 4.400 4.320 -0.007 0.000 0.193 298 K C -0.324 176.272 176.600 -0.007 0.000 1.026 298 K CA 0.428 56.706 56.287 -0.014 0.000 1.064 298 K CB 0.381 32.872 32.500 -0.015 0.000 0.833 298 K HN 0.760 nan 8.250 nan 0.000 0.521 299 D N -1.017 119.386 120.400 0.005 0.000 2.726 299 D HA 0.128 4.764 4.640 -0.007 0.000 0.203 299 D C -0.339 175.989 176.300 0.046 0.000 1.297 299 D CA -0.132 53.880 54.000 0.020 0.000 0.863 299 D CB 1.664 42.478 40.800 0.022 0.000 1.669 299 D HN -0.023 nan 8.370 nan 0.000 0.561 300 A N 1.966 124.814 122.820 0.047 0.000 2.125 300 A HA 0.272 4.588 4.320 -0.007 0.000 0.219 300 A C 1.516 179.188 177.584 0.147 0.000 1.156 300 A CA 1.415 53.496 52.037 0.074 0.000 0.671 300 A CB -0.506 18.438 19.000 -0.093 0.000 0.794 300 A HN 1.263 nan 8.150 nan 0.000 0.459 301 G N -0.578 108.288 108.800 0.111 0.000 2.338 301 G HA2 -0.228 3.727 3.960 -0.007 0.000 0.296 301 G HA3 -0.228 3.727 3.960 -0.007 0.000 0.296 301 G C -0.017 174.992 174.900 0.181 0.000 1.040 301 G CA 0.409 45.590 45.100 0.135 0.000 1.004 301 G HN 0.524 nan 8.290 nan 0.000 0.509 302 L N -0.815 120.478 121.223 0.117 0.000 2.439 302 L HA 0.382 4.718 4.340 -0.007 0.000 0.269 302 L C 1.096 178.136 176.870 0.284 0.000 1.179 302 L CA -0.648 54.277 54.840 0.141 0.000 0.828 302 L CB 0.833 42.872 42.059 -0.033 0.000 1.106 302 L HN 0.264 nan 8.230 nan 0.000 0.467 303 F N 3.850 123.897 119.950 0.162 0.000 2.451 303 F HA 0.263 4.786 4.527 -0.007 0.000 0.356 303 F C -0.540 175.436 175.800 0.294 0.000 1.178 303 F CA -0.892 57.251 58.000 0.238 0.000 1.210 303 F CB 0.319 39.518 39.000 0.333 0.000 1.504 303 F HN 0.283 nan 8.300 nan 0.000 0.598 304 F N 7.850 128.003 119.950 0.338 0.000 2.444 304 F HA 0.517 5.040 4.527 -0.007 0.000 0.342 304 F C -1.115 174.652 175.800 -0.056 0.000 1.121 304 F CA -0.641 57.404 58.000 0.075 0.000 0.997 304 F CB 0.844 39.826 39.000 -0.031 0.000 1.130 304 F HN 0.461 nan 8.300 nan 0.000 0.454 305 K N 4.827 124.751 120.400 -0.794 0.000 2.578 305 K HA 0.621 4.937 4.320 -0.007 0.000 0.287 305 K C -3.383 172.661 176.600 -0.927 0.000 1.010 305 K CA -2.255 53.429 56.287 -1.006 0.000 0.889 305 K CB 1.423 33.333 32.500 -0.984 0.000 1.514 305 K HN 0.182 nan 8.250 nan 0.000 0.424 306 P HA 0.034 nan 4.420 nan 0.000 0.268 306 P C -0.209 176.807 177.300 -0.474 0.000 1.204 306 P CA -0.024 62.765 63.100 -0.519 0.000 0.768 306 P CB 1.154 32.641 31.700 -0.356 0.000 0.842 307 A N 3.968 126.539 122.820 -0.414 0.000 1.929 307 A HA -0.052 4.264 4.320 -0.007 0.000 0.216 307 A C 0.658 178.027 177.584 -0.360 0.000 1.176 307 A CA 1.412 53.169 52.037 -0.467 0.000 0.628 307 A CB -0.445 18.335 19.000 -0.366 0.000 0.816 307 A HN 0.704 nan 8.150 nan 0.000 0.444 308 Q N -2.947 116.692 119.800 -0.267 0.000 2.776 308 Q HA 0.679 5.015 4.340 -0.007 0.000 0.289 308 Q C -1.527 174.348 176.000 -0.208 0.000 0.912 308 Q CA -0.722 54.957 55.803 -0.206 0.000 0.789 308 Q CB 0.802 29.388 28.738 -0.254 0.000 1.498 308 Q HN 0.222 nan 8.270 nan 0.000 0.408 309 M N 1.079 120.562 119.600 -0.194 0.000 2.658 309 M HA 0.584 5.059 4.480 -0.007 0.000 0.295 309 M C -1.315 174.863 176.300 -0.202 0.000 1.248 309 M CA -0.833 54.343 55.300 -0.206 0.000 0.843 309 M CB 2.532 35.012 32.600 -0.201 0.000 1.749 309 M HN 0.517 nan 8.290 nan 0.000 0.464 310 L N 1.004 122.101 121.223 -0.211 0.000 2.296 310 L HA 0.576 4.912 4.340 -0.007 0.000 0.286 310 L C -0.601 176.157 176.870 -0.187 0.000 1.023 310 L CA -0.353 54.384 54.840 -0.173 0.000 0.812 310 L CB 1.789 43.753 42.059 -0.158 0.000 1.223 310 L HN 0.684 nan 8.230 nan 0.000 0.421 311 S N 3.296 118.892 115.700 -0.175 0.000 2.638 311 S HA 0.680 5.145 4.470 -0.007 0.000 0.302 311 S C -0.418 174.160 174.600 -0.037 0.000 1.096 311 S CA -0.620 57.466 58.200 -0.191 0.000 0.953 311 S CB 2.259 65.129 63.200 -0.550 0.000 1.107 311 S HN 0.342 nan 8.310 nan 0.000 0.503 312 I N 1.522 122.128 120.570 0.059 0.000 2.412 312 I HA 0.397 4.562 4.170 -0.007 0.000 0.296 312 I C 0.983 177.240 176.117 0.232 0.000 0.987 312 I CA -0.818 60.537 61.300 0.092 0.000 1.180 312 I CB 1.282 39.288 38.000 0.010 0.000 1.340 312 I HN 0.762 nan 8.210 nan 0.000 0.455 313 G N 3.990 112.890 108.800 0.168 0.000 2.265 313 G HA2 -0.060 3.896 3.960 -0.007 0.000 0.240 313 G HA3 -0.060 3.896 3.960 -0.007 0.000 0.240 313 G C 0.883 175.897 174.900 0.190 0.000 1.270 313 G CA -0.152 45.050 45.100 0.171 0.000 0.901 313 G HN 0.884 nan 8.290 nan 0.000 0.507 314 K N 1.170 121.673 120.400 0.170 0.000 2.077 314 K HA -0.174 4.142 4.320 -0.007 0.000 0.213 314 K C 1.636 178.345 176.600 0.182 0.000 1.051 314 K CA 1.953 58.336 56.287 0.159 0.000 0.929 314 K CB -0.059 32.446 32.500 0.009 0.000 0.715 314 K HN 0.401 nan 8.250 nan 0.000 0.451 315 S N 0.232 115.986 115.700 0.090 0.000 2.664 315 S HA 0.034 4.499 4.470 -0.007 0.000 0.245 315 S C -0.370 174.237 174.600 0.011 0.000 1.019 315 S CA -0.321 57.912 58.200 0.055 0.000 0.996 315 S CB 0.870 64.076 63.200 0.010 0.000 0.878 315 S HN 0.377 nan 8.310 nan 0.000 0.493 316 T N 1.994 116.550 114.554 0.002 0.000 2.923 316 T HA 0.006 4.351 4.350 -0.007 0.000 0.304 316 T C 1.056 175.671 174.700 -0.143 0.000 1.044 316 T CA 0.595 62.647 62.100 -0.081 0.000 1.141 316 T CB 0.306 69.104 68.868 -0.118 0.000 1.023 316 T HN 0.297 nan 8.240 nan 0.000 0.533 317 K N 2.608 122.851 120.400 -0.263 0.000 2.418 317 K HA 0.022 4.338 4.320 -0.007 0.000 0.195 317 K C 0.261 176.510 176.600 -0.586 0.000 1.035 317 K CA 0.523 56.558 56.287 -0.419 0.000 1.003 317 K CB 0.161 32.363 32.500 -0.496 0.000 0.793 317 K HN 0.629 nan 8.250 nan 0.000 0.494 318 H N 0.072 119.106 119.070 -0.059 0.000 2.386 318 H HA 0.142 4.694 4.556 -0.007 0.000 0.232 318 H C -2.098 173.148 175.328 -0.137 0.000 1.416 318 H CA -2.034 53.973 56.048 -0.069 0.000 1.285 318 H CB 0.632 30.373 29.762 -0.035 0.000 1.625 318 H HN 0.030 nan 8.280 nan 0.000 0.521 319 P HA -0.158 nan 4.420 nan 0.000 0.217 319 P C 1.357 178.541 177.300 -0.194 0.000 1.150 319 P CA 1.139 63.991 63.100 -0.414 0.000 0.832 319 P CB 0.660 31.904 31.700 -0.759 0.000 0.787 320 Q N -0.169 119.591 119.800 -0.067 0.000 2.079 320 Q HA -0.154 4.182 4.340 -0.007 0.000 0.200 320 Q C 2.138 178.140 176.000 0.002 0.000 0.974 320 Q CA 1.385 57.184 55.803 -0.007 0.000 0.840 320 Q CB -0.288 28.466 28.738 0.027 0.000 0.898 320 Q HN 0.278 nan 8.270 nan 0.000 0.430 321 E N -0.120 120.088 120.200 0.015 0.000 2.152 321 E HA -0.068 4.278 4.350 -0.007 0.000 0.192 321 E C 1.997 178.597 176.600 -0.000 0.000 0.983 321 E CA 0.880 57.291 56.400 0.018 0.000 0.818 321 E CB 0.066 29.769 29.700 0.006 0.000 0.758 321 E HN 0.102 nan 8.360 nan 0.000 0.467 322 S N 0.594 116.279 115.700 -0.025 0.000 2.355 322 S HA -0.157 4.309 4.470 -0.007 0.000 0.222 322 S C 2.123 176.676 174.600 -0.079 0.000 1.031 322 S CA 0.955 59.117 58.200 -0.064 0.000 0.993 322 S CB -0.422 62.731 63.200 -0.079 0.000 0.859 322 S HN 0.419 nan 8.310 nan 0.000 0.453 323 A N 1.956 124.740 122.820 -0.060 0.000 1.892 323 A HA -0.189 4.127 4.320 -0.007 0.000 0.218 323 A C 2.181 179.764 177.584 -0.001 0.000 1.188 323 A CA 1.922 53.944 52.037 -0.025 0.000 0.631 323 A CB -0.798 18.204 19.000 0.004 0.000 0.822 323 A HN 0.484 nan 8.150 nan 0.000 0.447 324 M N -1.394 118.215 119.600 0.015 0.000 2.106 324 M HA -0.181 4.295 4.480 -0.007 0.000 0.259 324 M C 2.224 178.546 176.300 0.037 0.000 1.068 324 M CA 1.819 57.162 55.300 0.070 0.000 1.100 324 M CB -0.525 32.115 32.600 0.068 0.000 1.351 324 M HN 0.497 nan 8.290 nan 0.000 0.404 325 L N 0.936 122.023 121.223 -0.227 0.000 1.994 325 L HA -0.154 4.182 4.340 -0.007 0.000 0.208 325 L C 2.135 178.866 176.870 -0.233 0.000 1.071 325 L CA 1.864 56.320 54.840 -0.640 0.000 0.745 325 L CB -0.604 40.997 42.059 -0.763 0.000 0.892 325 L HN 0.232 nan 8.230 nan 0.000 0.431 326 I N -0.143 120.346 120.570 -0.134 0.000 2.208 326 I HA -0.346 3.820 4.170 -0.007 0.000 0.245 326 I C 2.482 178.598 176.117 -0.001 0.000 1.097 326 I CA 1.782 63.037 61.300 -0.075 0.000 1.363 326 I CB -0.688 37.263 38.000 -0.081 0.000 1.051 326 I HN 0.508 nan 8.210 nan 0.000 0.413 327 N N 0.858 119.588 118.700 0.050 0.000 2.149 327 N HA -0.248 4.488 4.740 -0.007 0.000 0.188 327 N C 2.069 177.654 175.510 0.126 0.000 1.019 327 N CA 1.473 54.587 53.050 0.107 0.000 0.857 327 N CB -0.050 38.515 38.487 0.130 0.000 0.997 327 N HN 0.254 nan 8.380 nan 0.000 0.426 328 F N 1.916 121.879 119.950 0.023 0.000 2.075 328 F HA -0.099 4.423 4.527 -0.007 0.000 0.297 328 F C 2.199 178.003 175.800 0.006 0.000 1.113 328 F CA 1.211 59.252 58.000 0.069 0.000 1.218 328 F CB -0.485 38.614 39.000 0.164 0.000 0.984 328 F HN -0.031 nan 8.300 nan 0.000 0.472 329 L N -0.246 120.973 121.223 -0.006 0.000 2.083 329 L HA -0.224 4.111 4.340 -0.007 0.000 0.209 329 L C 2.215 178.992 176.870 -0.156 0.000 1.083 329 L CA 1.182 55.948 54.840 -0.123 0.000 0.752 329 L CB -0.598 41.413 42.059 -0.080 0.000 0.899 329 L HN 0.288 nan 8.230 nan 0.000 0.433 330 L N -1.687 119.491 121.223 -0.074 0.000 2.537 330 L HA 0.108 4.444 4.340 -0.007 0.000 0.224 330 L C 1.669 178.530 176.870 -0.015 0.000 1.065 330 L CA 0.176 55.015 54.840 -0.002 0.000 0.860 330 L CB -0.042 42.103 42.059 0.144 0.000 1.086 330 L HN 0.247 nan 8.230 nan 0.000 0.482 331 N N -0.667 118.011 118.700 -0.037 0.000 2.503 331 N HA 0.018 4.754 4.740 -0.007 0.000 0.210 331 N C 0.828 176.275 175.510 -0.104 0.000 1.077 331 N CA 0.382 53.394 53.050 -0.062 0.000 0.855 331 N CB 0.380 38.865 38.487 -0.003 0.000 1.323 331 N HN 0.096 nan 8.380 nan 0.000 0.452 332 S N 1.291 116.903 115.700 -0.146 0.000 2.572 332 S HA 0.142 4.608 4.470 -0.007 0.000 0.279 332 S C 1.194 175.664 174.600 -0.218 0.000 1.341 332 S CA -0.274 57.824 58.200 -0.168 0.000 1.043 332 S CB 1.379 64.447 63.200 -0.220 0.000 0.887 332 S HN 0.086 nan 8.310 nan 0.000 0.516 333 K N 1.820 122.139 120.400 -0.135 0.000 2.059 333 K HA -0.236 4.080 4.320 -0.007 0.000 0.212 333 K C 2.012 178.516 176.600 -0.160 0.000 1.050 333 K CA 2.173 58.389 56.287 -0.118 0.000 0.927 333 K CB -0.290 32.172 32.500 -0.064 0.000 0.714 333 K HN 0.716 nan 8.250 nan 0.000 0.447 334 E N -0.120 119.966 120.200 -0.190 0.000 2.046 334 E HA -0.075 4.271 4.350 -0.007 0.000 0.190 334 E C 2.073 178.463 176.600 -0.351 0.000 0.982 334 E CA 1.292 57.591 56.400 -0.169 0.000 0.800 334 E CB -0.322 29.393 29.700 0.025 0.000 0.756 334 E HN 0.403 nan 8.360 nan 0.000 0.449 335 G N -0.062 108.227 108.800 -0.852 0.000 2.414 335 G HA2 -0.227 3.728 3.960 -0.007 0.000 0.215 335 G HA3 -0.227 3.728 3.960 -0.007 0.000 0.215 335 G C 1.713 176.386 174.900 -0.379 0.000 1.188 335 G CA 0.984 45.584 45.100 -0.833 0.000 0.783 335 G HN 0.211 nan 8.290 nan 0.000 0.537 336 V N 0.919 120.639 119.914 -0.323 0.000 2.282 336 V HA -0.237 3.878 4.120 -0.007 0.000 0.249 336 V C 2.620 178.620 176.094 -0.156 0.000 1.057 336 V CA 2.461 64.640 62.300 -0.201 0.000 1.032 336 V CB -0.491 31.234 31.823 -0.164 0.000 0.645 336 V HN 0.618 nan 8.190 nan 0.000 0.447 337 E N 0.151 120.265 120.200 -0.143 0.000 2.051 337 E HA -0.244 4.102 4.350 -0.007 0.000 0.192 337 E C 2.245 178.792 176.600 -0.087 0.000 0.991 337 E CA 1.458 57.799 56.400 -0.098 0.000 0.799 337 E CB -0.283 29.372 29.700 -0.075 0.000 0.748 337 E HN 0.558 nan 8.360 nan 0.000 0.449 338 A N 0.570 123.336 122.820 -0.090 0.000 1.908 338 A HA -0.170 4.146 4.320 -0.007 0.000 0.218 338 A C 2.066 179.594 177.584 -0.092 0.000 1.181 338 A CA 1.225 53.223 52.037 -0.066 0.000 0.627 338 A CB -0.485 18.496 19.000 -0.032 0.000 0.818 338 A HN 0.322 nan 8.150 nan 0.000 0.445 339 L N -1.402 119.746 121.223 -0.126 0.000 2.240 339 L HA 0.197 4.533 4.340 -0.007 0.000 0.211 339 L C 1.883 178.673 176.870 -0.134 0.000 1.106 339 L CA 1.237 55.986 54.840 -0.152 0.000 0.793 339 L CB -1.154 40.797 42.059 -0.180 0.000 0.927 339 L HN 0.664 nan 8.230 nan 0.000 0.446 340 G N -0.166 108.567 108.800 -0.112 0.000 2.614 340 G HA2 -0.364 3.591 3.960 -0.007 0.000 0.303 340 G HA3 -0.364 3.591 3.960 -0.007 0.000 0.303 340 G C 0.615 175.456 174.900 -0.098 0.000 1.270 340 G CA 0.416 45.460 45.100 -0.093 0.000 0.988 340 G HN 0.230 nan 8.290 nan 0.000 0.551 341 L N 1.087 122.257 121.223 -0.088 0.000 2.791 341 L HA 0.257 4.593 4.340 -0.007 0.000 0.239 341 L C 1.691 178.498 176.870 -0.105 0.000 1.203 341 L CA -0.117 54.670 54.840 -0.089 0.000 1.002 341 L CB 0.288 42.307 42.059 -0.067 0.000 1.295 341 L HN 0.413 nan 8.230 nan 0.000 0.504 342 E N 0.960 121.084 120.200 -0.126 0.000 2.516 342 E HA -0.049 4.297 4.350 -0.007 0.000 0.199 342 E C 1.155 177.651 176.600 -0.173 0.000 1.069 342 E CA 0.538 56.850 56.400 -0.145 0.000 0.876 342 E CB 0.188 29.791 29.700 -0.162 0.000 0.843 342 E HN 0.483 nan 8.360 nan 0.000 0.530 343 R N -1.206 119.191 120.500 -0.170 0.000 2.539 343 R HA 0.241 4.577 4.340 -0.007 0.000 0.342 343 R C 0.584 176.789 176.300 -0.158 0.000 0.941 343 R CA 0.374 56.357 56.100 -0.195 0.000 1.146 343 R CB 1.462 31.621 30.300 -0.235 0.000 1.541 343 R HN 0.132 nan 8.270 nan 0.000 0.525 344 G N 0.533 109.261 108.800 -0.120 0.000 2.447 344 G HA2 -0.209 3.747 3.960 -0.007 0.000 0.220 344 G HA3 -0.209 3.747 3.960 -0.007 0.000 0.220 344 G C -1.067 173.786 174.900 -0.078 0.000 1.261 344 G CA -0.782 44.264 45.100 -0.090 0.000 1.000 344 G HN -0.051 nan 8.290 nan 0.000 0.515 345 V N 2.911 122.791 119.914 -0.058 0.000 2.368 345 V HA 0.437 4.553 4.120 -0.007 0.000 0.266 345 V C -1.620 174.445 176.094 -0.047 0.000 1.045 345 V CA -0.826 61.446 62.300 -0.047 0.000 0.899 345 V CB 1.216 33.022 31.823 -0.027 0.000 1.006 345 V HN 0.578 nan 8.190 nan 0.000 0.470 346 P HA 0.067 nan 4.420 nan 0.000 0.262 346 P C 0.909 178.192 177.300 -0.028 0.000 1.182 346 P CA 0.262 63.336 63.100 -0.042 0.000 0.761 346 P CB 0.573 32.236 31.700 -0.062 0.000 0.795 347 L N 1.286 122.519 121.223 0.018 0.000 2.217 347 L HA -0.055 4.281 4.340 -0.007 0.000 0.211 347 L C 1.346 178.166 176.870 -0.082 0.000 1.107 347 L CA 0.753 55.613 54.840 0.034 0.000 0.783 347 L CB -0.378 41.778 42.059 0.161 0.000 0.919 347 L HN 0.409 nan 8.230 nan 0.000 0.442 348 S N 0.227 115.816 115.700 -0.184 0.000 2.546 348 S HA 0.120 4.585 4.470 -0.007 0.000 0.290 348 S C 1.303 175.706 174.600 -0.328 0.000 1.290 348 S CA 0.149 57.996 58.200 -0.587 0.000 1.069 348 S CB 1.439 64.359 63.200 -0.467 0.000 0.846 348 S HN 0.288 nan 8.310 nan 0.000 0.495 349 A N 4.569 127.192 122.820 -0.327 0.000 1.902 349 A HA -0.040 4.276 4.320 -0.007 0.000 0.217 349 A C 2.382 179.874 177.584 -0.154 0.000 1.181 349 A CA 2.211 54.136 52.037 -0.188 0.000 0.623 349 A CB -1.555 17.352 19.000 -0.156 0.000 0.818 349 A HN 0.914 nan 8.150 nan 0.000 0.443 350 T N -0.781 113.667 114.554 -0.176 0.000 2.777 350 T HA 0.031 4.377 4.350 -0.007 0.000 0.266 350 T C 2.010 176.638 174.700 -0.119 0.000 1.040 350 T CA 1.959 63.982 62.100 -0.129 0.000 1.141 350 T CB -0.461 68.335 68.868 -0.120 0.000 0.868 350 T HN 0.528 nan 8.240 nan 0.000 0.444 351 A N 0.503 123.238 122.820 -0.141 0.000 1.877 351 A HA 0.010 4.325 4.320 -0.007 0.000 0.216 351 A C 2.585 180.110 177.584 -0.098 0.000 1.186 351 A CA 1.829 53.794 52.037 -0.120 0.000 0.620 351 A CB -1.293 17.634 19.000 -0.122 0.000 0.822 351 A HN 0.430 nan 8.150 nan 0.000 0.443 352 V N -0.190 119.666 119.914 -0.097 0.000 2.427 352 V HA -0.171 3.944 4.120 -0.007 0.000 0.248 352 V C 2.582 178.638 176.094 -0.064 0.000 1.051 352 V CA 2.787 65.043 62.300 -0.074 0.000 1.048 352 V CB -0.792 30.991 31.823 -0.067 0.000 0.666 352 V HN 0.654 nan 8.190 nan 0.000 0.456 353 T N -0.556 113.957 114.554 -0.069 0.000 2.746 353 T HA -0.263 4.083 4.350 -0.007 0.000 0.267 353 T C 1.785 176.453 174.700 -0.053 0.000 1.039 353 T CA 1.989 64.055 62.100 -0.057 0.000 1.142 353 T CB -0.251 68.582 68.868 -0.058 0.000 0.866 353 T HN 0.592 nan 8.240 nan 0.000 0.444 354 Q N 0.187 119.950 119.800 -0.062 0.000 2.096 354 Q HA -0.036 4.300 4.340 -0.007 0.000 0.204 354 Q C 2.104 178.072 176.000 -0.053 0.000 0.982 354 Q CA 1.173 56.940 55.803 -0.059 0.000 0.850 354 Q CB -0.181 28.514 28.738 -0.071 0.000 0.901 354 Q HN 0.481 nan 8.270 nan 0.000 0.422 355 L N -0.553 120.637 121.223 -0.056 0.000 2.418 355 L HA -0.002 4.334 4.340 -0.007 0.000 0.218 355 L C 2.339 179.185 176.870 -0.041 0.000 1.125 355 L CA 0.338 55.147 54.840 -0.051 0.000 0.835 355 L CB -0.087 41.937 42.059 -0.058 0.000 0.953 355 L HN 0.148 nan 8.230 nan 0.000 0.454 356 R N 0.058 120.535 120.500 -0.039 0.000 2.075 356 R HA -0.005 4.331 4.340 -0.007 0.000 0.226 356 R C 2.429 178.712 176.300 -0.028 0.000 1.114 356 R CA 1.182 57.263 56.100 -0.031 0.000 0.972 356 R CB -0.260 30.022 30.300 -0.030 0.000 0.869 356 R HN 0.252 nan 8.270 nan 0.000 0.437 357 A N 0.731 123.533 122.820 -0.031 0.000 2.015 357 A HA -0.131 4.185 4.320 -0.007 0.000 0.219 357 A C 1.966 179.535 177.584 -0.025 0.000 1.163 357 A CA 1.742 53.763 52.037 -0.027 0.000 0.646 357 A CB -0.317 18.665 19.000 -0.029 0.000 0.806 357 A HN 0.408 nan 8.150 nan 0.000 0.448 358 S N -2.068 113.615 115.700 -0.028 0.000 2.593 358 S HA 0.383 4.849 4.470 -0.007 0.000 0.217 358 S C 1.348 175.935 174.600 -0.022 0.000 0.966 358 S CA 0.970 59.154 58.200 -0.026 0.000 0.914 358 S CB -0.269 62.912 63.200 -0.032 0.000 0.776 358 S HN 1.872 nan 8.310 nan 0.000 0.523 359 G N 0.415 109.202 108.800 -0.021 0.000 2.148 359 G HA2 -0.267 3.689 3.960 -0.007 0.000 0.254 359 G HA3 -0.267 3.689 3.960 -0.007 0.000 0.254 359 G C 0.590 175.479 174.900 -0.018 0.000 0.981 359 G CA 0.283 45.373 45.100 -0.017 0.000 0.670 359 G HN 0.560 nan 8.290 nan 0.000 0.528 360 V N 0.229 120.129 119.914 -0.024 0.000 2.535 360 V HA 0.242 4.358 4.120 -0.007 0.000 0.246 360 V C 1.684 177.763 176.094 -0.025 0.000 1.045 360 V CA 1.318 63.602 62.300 -0.026 0.000 1.058 360 V CB 0.013 31.816 31.823 -0.035 0.000 0.689 360 V HN 0.475 nan 8.190 nan 0.000 0.461 361 I N 1.871 122.426 120.570 -0.026 0.000 2.337 361 I HA 0.220 4.386 4.170 -0.007 0.000 0.291 361 I C -0.180 175.929 176.117 -0.015 0.000 1.046 361 I CA 0.227 61.514 61.300 -0.022 0.000 1.324 361 I CB 0.394 38.378 38.000 -0.026 0.000 1.409 361 I HN 0.188 nan 8.210 nan 0.000 0.494 362 K N 5.042 125.437 120.400 -0.008 0.000 2.324 362 K HA 0.311 4.627 4.320 -0.007 0.000 0.253 362 K C -0.254 176.347 176.600 0.002 0.000 0.932 362 K CA -0.896 55.390 56.287 -0.003 0.000 0.799 362 K CB 2.159 34.660 32.500 0.001 0.000 1.154 362 K HN 0.302 nan 8.250 nan 0.000 0.425 363 D N 2.095 122.496 120.400 0.002 0.000 2.182 363 D HA -0.188 4.447 4.640 -0.007 0.000 0.201 363 D C 1.587 177.894 176.300 0.012 0.000 0.986 363 D CA 1.399 55.402 54.000 0.004 0.000 0.847 363 D CB 0.386 41.187 40.800 0.002 0.000 0.942 363 D HN 0.666 nan 8.370 nan 0.000 0.467 364 E N 0.805 121.015 120.200 0.016 0.000 2.435 364 E HA -0.104 4.242 4.350 -0.007 0.000 0.195 364 E C 0.214 176.835 176.600 0.034 0.000 1.029 364 E CA 0.010 56.425 56.400 0.024 0.000 0.865 364 E CB -0.312 29.402 29.700 0.024 0.000 0.833 364 E HN 0.088 nan 8.360 nan 0.000 0.510 365 D N 2.797 123.214 120.400 0.029 0.000 2.533 365 D HA -0.024 4.612 4.640 -0.007 0.000 0.236 365 D C -1.540 174.796 176.300 0.061 0.000 1.137 365 D CA -1.839 52.181 54.000 0.035 0.000 0.867 365 D CB 1.409 42.220 40.800 0.017 0.000 1.170 365 D HN -0.136 nan 8.370 nan 0.000 0.474 366 P HA -0.179 nan 4.420 nan 0.000 0.216 366 P C 1.380 178.820 177.300 0.232 0.000 1.150 366 P CA 1.256 64.475 63.100 0.198 0.000 0.843 366 P CB 0.120 31.954 31.700 0.224 0.000 0.787 367 S N -1.270 114.492 115.700 0.103 0.000 2.368 367 S HA -0.090 4.376 4.470 -0.007 0.000 0.224 367 S C 1.870 176.512 174.600 0.071 0.000 1.029 367 S CA 1.238 59.485 58.200 0.079 0.000 0.988 367 S CB -0.988 62.209 63.200 -0.005 0.000 0.838 367 S HN -0.110 nan 8.310 nan 0.000 0.462 368 V N 2.028 121.969 119.914 0.044 0.000 2.346 368 V HA 0.039 4.154 4.120 -0.007 0.000 0.244 368 V C 2.984 179.092 176.094 0.024 0.000 1.037 368 V CA 1.496 63.810 62.300 0.024 0.000 1.029 368 V CB -1.321 30.508 31.823 0.010 0.000 0.663 368 V HN 0.604 nan 8.190 nan 0.000 0.454 369 A N 0.679 123.520 122.820 0.034 0.000 1.908 369 A HA -0.126 4.189 4.320 -0.007 0.000 0.218 369 A C 2.403 179.989 177.584 0.003 0.000 1.181 369 A CA 2.067 54.115 52.037 0.019 0.000 0.627 369 A CB -1.286 17.730 19.000 0.027 0.000 0.818 369 A HN 0.524 nan 8.150 nan 0.000 0.445 370 G N -0.072 108.750 108.800 0.036 0.000 2.459 370 G HA2 -0.219 3.736 3.960 -0.007 0.000 0.217 370 G HA3 -0.219 3.736 3.960 -0.007 0.000 0.217 370 G C 1.491 176.377 174.900 -0.024 0.000 1.183 370 G CA 1.287 46.385 45.100 -0.003 0.000 0.776 370 G HN 0.472 nan 8.290 nan 0.000 0.552 371 L N 1.391 122.619 121.223 0.008 0.000 1.990 371 L HA -0.134 4.202 4.340 -0.007 0.000 0.213 371 L C 2.461 179.294 176.870 -0.062 0.000 1.072 371 L CA 2.178 57.007 54.840 -0.017 0.000 0.755 371 L CB -0.736 41.332 42.059 0.015 0.000 0.889 371 L HN 0.140 nan 8.230 nan 0.000 0.432 372 N N -0.781 117.894 118.700 -0.042 0.000 2.104 372 N HA -0.253 4.483 4.740 -0.007 0.000 0.190 372 N C 1.877 177.343 175.510 -0.074 0.000 1.024 372 N CA 1.936 54.956 53.050 -0.050 0.000 0.853 372 N CB -0.471 37.999 38.487 -0.028 0.000 1.008 372 N HN 0.507 nan 8.380 nan 0.000 0.424 373 M N 0.664 120.219 119.600 -0.074 0.000 2.099 373 M HA -0.085 4.391 4.480 -0.007 0.000 0.262 373 M C 1.937 178.155 176.300 -0.136 0.000 1.067 373 M CA 1.484 56.734 55.300 -0.082 0.000 1.124 373 M CB -0.139 32.421 32.600 -0.067 0.000 1.353 373 M HN 0.129 nan 8.290 nan 0.000 0.410 374 A N 1.183 123.890 122.820 -0.188 0.000 1.892 374 A HA -0.193 4.123 4.320 -0.007 0.000 0.218 374 A C 2.021 179.342 177.584 -0.439 0.000 1.188 374 A CA 1.888 53.728 52.037 -0.327 0.000 0.631 374 A CB -1.198 17.611 19.000 -0.317 0.000 0.822 374 A HN 0.646 nan 8.150 nan 0.000 0.447 375 L N -1.013 119.997 121.223 -0.356 0.000 2.131 375 L HA -0.174 4.162 4.340 -0.007 0.000 0.210 375 L C 2.536 179.359 176.870 -0.078 0.000 1.092 375 L CA 1.724 56.387 54.840 -0.294 0.000 0.759 375 L CB -0.516 41.445 42.059 -0.163 0.000 0.903 375 L HN 0.605 nan 8.230 nan 0.000 0.435 376 E N 0.499 120.647 120.200 -0.086 0.000 2.285 376 E HA -0.045 4.301 4.350 -0.007 0.000 0.194 376 E C 0.830 177.413 176.600 -0.028 0.000 0.997 376 E CA -0.023 56.352 56.400 -0.041 0.000 0.845 376 E CB 0.209 29.883 29.700 -0.044 0.000 0.782 376 E HN 0.370 nan 8.360 nan 0.000 0.491 377 L N 3.076 124.261 121.223 -0.062 0.000 2.416 377 L HA 0.183 4.519 4.340 -0.007 0.000 0.272 377 L C -2.027 174.880 176.870 0.061 0.000 1.161 377 L CA -2.015 52.793 54.840 -0.054 0.000 0.845 377 L CB 0.344 42.290 42.059 -0.188 0.000 1.119 377 L HN 0.047 nan 8.230 nan 0.000 0.464 378 P HA 0.006 nan 4.420 nan 0.000 0.267 378 P C -0.590 176.726 177.300 0.027 0.000 1.209 378 P CA 0.383 63.476 63.100 -0.012 0.000 0.763 378 P CB 0.286 31.972 31.700 -0.024 0.000 0.816 379 H N 2.109 121.122 119.070 -0.095 0.000 3.411 379 H HA 0.185 4.737 4.556 -0.007 0.000 0.232 379 H C 0.558 175.864 175.328 -0.036 0.000 1.322 379 H CA -0.454 55.540 56.048 -0.090 0.000 1.077 379 H CB -0.285 29.366 29.762 -0.186 0.000 2.741 379 H HN 0.268 nan 8.280 nan 0.000 0.596 380 K N 0.803 121.121 120.400 -0.137 0.000 2.147 380 K HA -0.036 4.280 4.320 -0.007 0.000 0.205 380 K C 0.624 177.231 176.600 0.012 0.000 1.049 380 K CA 0.374 56.610 56.287 -0.086 0.000 0.936 380 K CB 0.071 32.529 32.500 -0.070 0.000 0.722 380 K HN 0.209 nan 8.250 nan 0.000 0.446 381 M N 1.916 121.541 119.600 0.041 0.000 2.268 381 M HA -0.008 4.467 4.480 -0.007 0.000 0.349 381 M C -0.807 175.555 176.300 0.103 0.000 1.485 381 M CA 0.748 56.086 55.300 0.065 0.000 1.094 381 M CB 1.092 33.726 32.600 0.057 0.000 1.843 381 M HN -0.101 nan 8.290 nan 0.000 0.460 382 T N 3.550 118.168 114.554 0.106 0.000 2.907 382 T HA 0.400 4.746 4.350 -0.007 0.000 0.284 382 T C -0.136 174.630 174.700 0.109 0.000 1.004 382 T CA -0.701 61.480 62.100 0.134 0.000 1.063 382 T CB 0.962 69.917 68.868 0.145 0.000 0.992 382 T HN 0.629 nan 8.240 nan 0.000 0.483 383 T N 2.433 117.052 114.554 0.109 0.000 2.817 383 T HA 0.291 4.637 4.350 -0.007 0.000 0.293 383 T C 0.558 175.437 174.700 0.298 0.000 0.964 383 T CA -0.336 61.796 62.100 0.053 0.000 1.085 383 T CB 0.972 69.728 68.868 -0.186 0.000 0.921 383 T HN 0.598 nan 8.240 nan 0.000 0.502 384 S N 4.380 120.220 115.700 0.233 0.000 2.549 384 S HA 0.148 4.613 4.470 -0.007 0.000 0.279 384 S C -0.977 173.744 174.600 0.202 0.000 1.321 384 S CA -1.576 56.770 58.200 0.244 0.000 1.054 384 S CB 0.545 63.884 63.200 0.232 0.000 0.899 384 S HN 0.452 nan 8.310 nan 0.000 0.497 385 P HA -0.135 nan 4.420 nan 0.000 0.219 385 P C 0.541 177.595 177.300 -0.410 0.000 1.146 385 P CA 1.352 64.002 63.100 -0.750 0.000 0.808 385 P CB -0.165 30.799 31.700 -1.226 0.000 0.779 386 Y N -1.575 118.706 120.300 -0.032 0.000 2.421 386 Y HA -0.077 4.469 4.550 -0.008 0.000 0.292 386 Y C 2.378 178.333 175.900 0.093 0.000 1.136 386 Y CA 0.457 58.555 58.100 -0.003 0.000 1.255 386 Y CB -1.515 36.913 38.460 -0.054 0.000 0.991 386 Y HN -0.087 nan 8.280 nan 0.000 0.552 387 F N 1.103 121.146 119.950 0.154 0.000 2.234 387 F HA -0.152 4.371 4.527 -0.007 0.000 0.299 387 F C 1.266 177.207 175.800 0.235 0.000 1.087 387 F CA 1.439 59.552 58.000 0.188 0.000 1.340 387 F CB -0.081 38.958 39.000 0.065 0.000 1.031 387 F HN -0.073 nan 8.300 nan 0.000 0.500 388 D N 0.640 121.115 120.400 0.125 0.000 2.587 388 D HA 0.003 4.638 4.640 -0.007 0.000 0.233 388 D C -0.474 175.928 176.300 0.169 0.000 1.213 388 D CA -0.092 54.025 54.000 0.196 0.000 0.827 388 D CB -0.777 40.359 40.800 0.560 0.000 1.006 388 D HN 0.262 nan 8.370 nan 0.000 0.490 389 D N 0.239 120.708 120.400 0.115 0.000 2.390 389 D HA 0.009 4.645 4.640 -0.007 0.000 0.249 389 D C -1.599 174.772 176.300 0.118 0.000 1.144 389 D CA -1.592 52.472 54.000 0.108 0.000 0.880 389 D CB 2.020 42.886 40.800 0.110 0.000 1.182 389 D HN 0.025 nan 8.370 nan 0.000 0.451 390 P HA -0.129 nan 4.420 nan 0.000 0.216 390 P C 1.112 178.475 177.300 0.105 0.000 1.150 390 P CA 1.297 64.474 63.100 0.129 0.000 0.837 390 P CB 0.263 32.003 31.700 0.067 0.000 0.786 391 Q N -1.143 118.690 119.800 0.054 0.000 2.119 391 Q HA -0.102 4.234 4.340 -0.007 0.000 0.201 391 Q C 1.988 178.029 176.000 0.068 0.000 0.972 391 Q CA 0.947 56.773 55.803 0.039 0.000 0.847 391 Q CB -0.460 28.272 28.738 -0.010 0.000 0.903 391 Q HN 0.226 nan 8.270 nan 0.000 0.433 392 I N 0.240 120.862 120.570 0.088 0.000 2.226 392 I HA -0.211 3.954 4.170 -0.007 0.000 0.245 392 I C 2.263 178.538 176.117 0.263 0.000 1.100 392 I CA 1.160 62.552 61.300 0.153 0.000 1.374 392 I CB -0.963 37.142 38.000 0.176 0.000 1.057 392 I HN 0.072 nan 8.210 nan 0.000 0.413 393 V N 0.155 120.207 119.914 0.231 0.000 2.343 393 V HA -0.244 3.871 4.120 -0.007 0.000 0.247 393 V C 2.722 179.055 176.094 0.399 0.000 1.051 393 V CA 2.009 64.505 62.300 0.326 0.000 1.036 393 V CB -0.786 31.211 31.823 0.291 0.000 0.654 393 V HN 0.422 nan 8.190 nan 0.000 0.451 394 S N -0.145 115.711 115.700 0.261 0.000 2.368 394 S HA -0.162 4.304 4.470 -0.007 0.000 0.224 394 S C 1.953 176.597 174.600 0.073 0.000 1.029 394 S CA 1.715 59.999 58.200 0.141 0.000 0.988 394 S CB -0.324 62.935 63.200 0.099 0.000 0.838 394 S HN 0.441 nan 8.310 nan 0.000 0.462 395 L N 0.706 122.016 121.223 0.145 0.000 2.046 395 L HA 0.042 4.378 4.340 -0.007 0.000 0.208 395 L C 1.961 179.025 176.870 0.324 0.000 1.077 395 L CA 1.949 56.892 54.840 0.172 0.000 0.747 395 L CB -0.939 41.166 42.059 0.078 0.000 0.896 395 L HN 0.447 nan 8.230 nan 0.000 0.432 396 F N 0.392 120.539 119.950 0.329 0.000 2.095 396 F HA -0.081 4.442 4.527 -0.007 0.000 0.298 396 F C 2.216 178.037 175.800 0.034 0.000 1.104 396 F CA 1.786 59.932 58.000 0.243 0.000 1.232 396 F CB -0.979 38.121 39.000 0.166 0.000 0.987 396 F HN 0.136 nan 8.300 nan 0.000 0.475 397 G N -0.398 108.248 108.800 -0.256 0.000 2.418 397 G HA2 -0.269 3.687 3.960 -0.007 0.000 0.217 397 G HA3 -0.269 3.687 3.960 -0.007 0.000 0.217 397 G C 1.378 176.025 174.900 -0.421 0.000 1.158 397 G CA 1.024 45.739 45.100 -0.643 0.000 0.771 397 G HN 0.318 nan 8.290 nan 0.000 0.545 398 D N 1.087 121.303 120.400 -0.306 0.000 2.116 398 D HA -0.090 4.546 4.640 -0.007 0.000 0.193 398 D C 2.813 178.878 176.300 -0.392 0.000 0.998 398 D CA 1.400 55.197 54.000 -0.339 0.000 0.836 398 D CB -0.490 40.227 40.800 -0.139 0.000 0.951 398 D HN 0.312 nan 8.370 nan 0.000 0.449 399 A N 1.058 123.818 122.820 -0.101 0.000 1.873 399 A HA -0.124 4.191 4.320 -0.007 0.000 0.215 399 A C 2.348 179.850 177.584 -0.137 0.000 1.186 399 A CA 1.550 53.613 52.037 0.043 0.000 0.616 399 A CB -0.856 18.212 19.000 0.114 0.000 0.823 399 A HN 0.421 nan 8.150 nan 0.000 0.442 400 I N -3.162 117.176 120.570 -0.386 0.000 2.676 400 I HA -0.174 3.991 4.170 -0.007 0.000 0.259 400 I C 2.131 178.176 176.117 -0.121 0.000 1.194 400 I CA 1.528 62.564 61.300 -0.441 0.000 1.473 400 I CB -0.477 36.879 38.000 -1.075 0.000 1.096 400 I HN 0.294 nan 8.210 nan 0.000 0.443 401 Q N 0.225 119.948 119.800 -0.128 0.000 2.123 401 Q HA -0.141 4.195 4.340 -0.007 0.000 0.199 401 Q C 2.102 178.168 176.000 0.111 0.000 0.966 401 Q CA 1.386 57.217 55.803 0.048 0.000 0.845 401 Q CB -0.179 28.497 28.738 -0.103 0.000 0.907 401 Q HN 0.528 nan 8.270 nan 0.000 0.439 402 Y N 0.886 121.185 120.300 -0.002 0.000 2.114 402 Y HA -0.278 4.268 4.550 -0.007 0.000 0.282 402 Y C 2.064 177.981 175.900 0.029 0.000 1.165 402 Y CA 1.037 59.113 58.100 -0.040 0.000 1.148 402 Y CB -0.475 37.884 38.460 -0.167 0.000 0.972 402 Y HN 0.116 nan 8.280 nan 0.000 0.504 403 I N -0.372 120.319 120.570 0.203 0.000 2.142 403 I HA -0.309 3.856 4.170 -0.007 0.000 0.240 403 I C 1.955 178.186 176.117 0.189 0.000 1.078 403 I CA 1.722 63.131 61.300 0.182 0.000 1.343 403 I CB -0.476 37.659 38.000 0.224 0.000 1.046 403 I HN 0.146 nan 8.210 nan 0.000 0.405 404 D N 0.289 120.814 120.400 0.207 0.000 2.144 404 D HA -0.178 4.458 4.640 -0.007 0.000 0.199 404 D C 1.689 177.981 176.300 -0.014 0.000 0.984 404 D CA 1.583 55.644 54.000 0.101 0.000 0.834 404 D CB -0.267 40.576 40.800 0.071 0.000 0.955 404 D HN 0.417 nan 8.370 nan 0.000 0.465 405 Y N -0.052 120.301 120.300 0.087 0.000 2.470 405 Y HA 0.272 4.818 4.550 -0.007 0.000 0.302 405 Y C 1.730 177.672 175.900 0.070 0.000 1.194 405 Y CA 0.104 58.248 58.100 0.073 0.000 1.271 405 Y CB 0.226 38.718 38.460 0.054 0.000 1.092 405 Y HN -0.008 nan 8.280 nan 0.000 0.513 406 G N 0.346 109.248 108.800 0.170 0.000 2.168 406 G HA2 -0.363 3.592 3.960 -0.007 0.000 0.257 406 G HA3 -0.363 3.592 3.960 -0.007 0.000 0.257 406 G C 0.921 175.879 174.900 0.098 0.000 0.997 406 G CA 0.749 45.917 45.100 0.114 0.000 0.708 406 G HN 0.520 nan 8.290 nan 0.000 0.520 407 Q N -0.908 118.969 119.800 0.128 0.000 2.302 407 Q HA 0.154 4.489 4.340 -0.007 0.000 0.202 407 Q C 0.993 176.970 176.000 -0.039 0.000 0.936 407 Q CA 0.803 56.649 55.803 0.071 0.000 0.886 407 Q CB 0.404 29.233 28.738 0.152 0.000 0.986 407 Q HN 0.523 nan 8.270 nan 0.000 0.487 408 K N 1.081 121.462 120.400 -0.031 0.000 2.426 408 K HA 0.271 4.587 4.320 -0.007 0.000 0.251 408 K C -0.468 176.114 176.600 -0.031 0.000 0.941 408 K CA -0.432 55.785 56.287 -0.117 0.000 0.808 408 K CB 2.119 34.453 32.500 -0.277 0.000 1.265 408 K HN 0.002 nan 8.250 nan 0.000 0.432 409 T N -1.945 112.589 114.554 -0.033 0.000 2.748 409 T HA 0.047 4.393 4.350 -0.007 0.000 0.304 409 T C 1.530 176.237 174.700 0.012 0.000 1.041 409 T CA -0.690 61.415 62.100 0.007 0.000 1.033 409 T CB 0.639 69.513 68.868 0.010 0.000 0.995 409 T HN 0.192 nan 8.240 nan 0.000 0.536 410 V N 2.698 122.649 119.914 0.061 0.000 2.255 410 V HA -0.268 3.848 4.120 -0.007 0.000 0.247 410 V C 2.990 179.123 176.094 0.065 0.000 1.051 410 V CA 2.527 64.887 62.300 0.100 0.000 1.018 410 V CB -1.299 30.623 31.823 0.166 0.000 0.641 410 V HN 1.012 nan 8.190 nan 0.000 0.445 411 Q N 0.413 120.252 119.800 0.065 0.000 2.062 411 Q HA -0.304 4.032 4.340 -0.007 0.000 0.209 411 Q C 2.034 178.044 176.000 0.017 0.000 0.996 411 Q CA 2.364 58.203 55.803 0.059 0.000 0.859 411 Q CB -0.568 28.200 28.738 0.049 0.000 0.920 411 Q HN 0.681 nan 8.270 nan 0.000 0.415 412 E N 0.443 120.630 120.200 -0.021 0.000 2.077 412 E HA -0.133 4.212 4.350 -0.007 0.000 0.193 412 E C 2.153 178.696 176.600 -0.095 0.000 0.989 412 E CA 1.517 57.880 56.400 -0.060 0.000 0.800 412 E CB -0.098 29.543 29.700 -0.099 0.000 0.746 412 E HN 0.386 nan 8.360 nan 0.000 0.452 413 T N 0.973 115.434 114.554 -0.154 0.000 2.708 413 T HA -0.175 4.171 4.350 -0.007 0.000 0.266 413 T C 2.038 176.466 174.700 -0.453 0.000 1.037 413 T CA 1.265 63.199 62.100 -0.276 0.000 1.146 413 T CB -0.285 68.362 68.868 -0.367 0.000 0.865 413 T HN 0.265 nan 8.240 nan 0.000 0.435 414 A N 1.509 124.089 122.820 -0.400 0.000 1.908 414 A HA -0.187 4.129 4.320 -0.007 0.000 0.218 414 A C 2.211 179.785 177.584 -0.017 0.000 1.181 414 A CA 1.824 53.773 52.037 -0.147 0.000 0.627 414 A CB -0.562 18.584 19.000 0.245 0.000 0.818 414 A HN 0.579 nan 8.150 nan 0.000 0.445 415 E N -1.942 118.262 120.200 0.006 0.000 2.072 415 E HA -0.165 4.180 4.350 -0.007 0.000 0.190 415 E C 1.888 178.474 176.600 -0.022 0.000 0.982 415 E CA 1.213 57.622 56.400 0.016 0.000 0.803 415 E CB -0.291 29.428 29.700 0.031 0.000 0.755 415 E HN 0.781 nan 8.360 nan 0.000 0.453 416 Y N 0.518 120.730 120.300 -0.146 0.000 2.128 416 Y HA -0.290 4.256 4.550 -0.007 0.000 0.284 416 Y C 1.980 177.786 175.900 -0.156 0.000 1.154 416 Y CA 1.648 59.658 58.100 -0.151 0.000 1.149 416 Y CB -0.407 37.944 38.460 -0.182 0.000 0.976 416 Y HN 0.039 nan 8.280 nan 0.000 0.505 417 F N 1.019 120.748 119.950 -0.368 0.000 2.113 417 F HA -0.170 4.353 4.527 -0.007 0.000 0.297 417 F C 2.407 177.884 175.800 -0.539 0.000 1.103 417 F CA 1.953 59.670 58.000 -0.472 0.000 1.248 417 F CB -0.781 37.976 39.000 -0.405 0.000 0.999 417 F HN 0.101 nan 8.300 nan 0.000 0.475 418 N N 1.065 119.461 118.700 -0.506 0.000 2.069 418 N HA -0.248 4.487 4.740 -0.007 0.000 0.191 418 N C 1.960 177.316 175.510 -0.257 0.000 1.031 418 N CA 1.750 54.522 53.050 -0.463 0.000 0.852 418 N CB -0.425 37.932 38.487 -0.217 0.000 1.018 418 N HN 0.415 nan 8.380 nan 0.000 0.423 419 K N -0.030 120.223 120.400 -0.245 0.000 2.007 419 K HA -0.066 4.250 4.320 -0.007 0.000 0.206 419 K C 1.809 178.250 176.600 -0.265 0.000 1.047 419 K CA 0.886 57.058 56.287 -0.191 0.000 0.937 419 K CB -0.013 32.403 32.500 -0.139 0.000 0.718 419 K HN 0.148 nan 8.250 nan 0.000 0.438 420 Q N -0.117 119.430 119.800 -0.422 0.000 2.124 420 Q HA -0.093 4.243 4.340 -0.007 0.000 0.202 420 Q C 2.157 177.916 176.000 -0.403 0.000 0.977 420 Q CA 1.645 57.182 55.803 -0.443 0.000 0.850 420 Q CB -0.608 27.713 28.738 -0.696 0.000 0.901 420 Q HN 0.534 nan 8.270 nan 0.000 0.429 421 G N 1.418 109.901 108.800 -0.528 0.000 2.440 421 G HA2 -0.259 3.696 3.960 -0.007 0.000 0.218 421 G HA3 -0.259 3.696 3.960 -0.007 0.000 0.218 421 G C 1.000 175.763 174.900 -0.229 0.000 1.154 421 G CA 0.981 45.850 45.100 -0.386 0.000 0.767 421 G HN 0.269 nan 8.290 nan 0.000 0.552 422 D N -0.107 120.191 120.400 -0.169 0.000 2.218 422 D HA -0.014 4.622 4.640 -0.007 0.000 0.204 422 D C 2.581 178.763 176.300 -0.195 0.000 0.976 422 D CA 0.354 54.244 54.000 -0.182 0.000 0.853 422 D CB -0.125 40.629 40.800 -0.077 0.000 0.939 422 D HN 0.227 nan 8.370 nan 0.000 0.481 423 R N 0.041 120.432 120.500 -0.182 0.000 2.062 423 R HA -0.036 4.299 4.340 -0.007 0.000 0.231 423 R C 2.497 178.697 176.300 -0.166 0.000 1.136 423 R CA 0.675 56.679 56.100 -0.160 0.000 0.948 423 R CB -0.408 29.802 30.300 -0.150 0.000 0.845 423 R HN 0.206 nan 8.270 nan 0.000 0.430 424 I N 1.155 121.616 120.570 -0.180 0.000 2.151 424 I HA -0.365 3.801 4.170 -0.007 0.000 0.243 424 I C 2.400 178.405 176.117 -0.187 0.000 1.080 424 I CA 1.476 62.680 61.300 -0.161 0.000 1.339 424 I CB -0.341 37.573 38.000 -0.144 0.000 1.039 424 I HN 0.184 nan 8.210 nan 0.000 0.409 425 L N 0.219 121.287 121.223 -0.259 0.000 1.970 425 L HA -0.285 4.051 4.340 -0.007 0.000 0.212 425 L C 2.619 179.308 176.870 -0.303 0.000 1.071 425 L CA 1.705 56.348 54.840 -0.329 0.000 0.751 425 L CB -0.632 41.146 42.059 -0.468 0.000 0.889 425 L HN 0.168 nan 8.230 nan 0.000 0.432 426 K N -0.239 120.012 120.400 -0.247 0.000 2.097 426 K HA -0.278 4.037 4.320 -0.007 0.000 0.214 426 K C 2.163 178.662 176.600 -0.169 0.000 1.052 426 K CA 2.058 58.229 56.287 -0.195 0.000 0.932 426 K CB -0.209 32.201 32.500 -0.150 0.000 0.716 426 K HN 0.272 nan 8.250 nan 0.000 0.455 427 R N -0.112 120.299 120.500 -0.148 0.000 2.066 427 R HA -0.065 4.270 4.340 -0.007 0.000 0.232 427 R C 2.462 178.691 176.300 -0.118 0.000 1.131 427 R CA 1.216 57.245 56.100 -0.118 0.000 0.955 427 R CB -0.449 29.790 30.300 -0.101 0.000 0.851 427 R HN 0.219 nan 8.270 nan 0.000 0.432 428 A N 1.456 124.198 122.820 -0.130 0.000 1.892 428 A HA -0.163 4.153 4.320 -0.007 0.000 0.218 428 A C 1.950 179.448 177.584 -0.144 0.000 1.188 428 A CA 1.581 53.562 52.037 -0.093 0.000 0.631 428 A CB -0.461 18.511 19.000 -0.046 0.000 0.822 428 A HN 0.229 nan 8.150 nan 0.000 0.447 429 M N -0.271 119.111 119.600 -0.362 0.000 2.581 429 M HA 0.122 4.597 4.480 -0.007 0.000 0.224 429 M C 0.835 177.012 176.300 -0.206 0.000 1.171 429 M CA 0.005 55.030 55.300 -0.458 0.000 0.993 429 M CB -0.322 31.859 32.600 -0.699 0.000 1.685 429 M HN 0.487 nan 8.290 nan 0.000 0.479 430 R N 0.000 120.418 120.500 -0.136 0.000 2.786 430 R HA 0.000 4.336 4.340 -0.007 0.000 0.208 430 R CA 0.000 56.046 56.100 -0.090 0.000 0.921 430 R CB 0.000 30.249 30.300 -0.085 0.000 0.687 430 R HN 0.000 nan 8.270 nan 0.000 0.535