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 2uvi_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 0.000 176.556 176.600 -0.074 0.000 1.382 27 E CA 0.000 56.386 56.400 -0.024 0.000 0.976 27 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 28 V N 4.443 124.285 119.914 -0.121 0.000 2.409 28 V HA 0.443 4.559 4.120 -0.007 0.000 0.291 28 V C -0.251 175.740 176.094 -0.173 0.000 1.020 28 V CA -0.900 61.225 62.300 -0.291 0.000 0.848 28 V CB 1.706 33.298 31.823 -0.385 0.000 0.990 28 V HN 0.506 nan 8.190 nan 0.000 0.430 29 N N 5.719 124.326 118.700 -0.154 0.000 2.424 29 N HA 0.633 5.369 4.740 -0.007 0.000 0.271 29 N C -0.986 174.527 175.510 0.006 0.000 0.985 29 N CA -0.309 52.718 53.050 -0.038 0.000 0.921 29 N CB 2.456 40.948 38.487 0.007 0.000 1.149 29 N HN 0.494 nan 8.380 nan 0.000 0.492 30 L N 1.619 122.858 121.223 0.026 0.000 2.333 30 L HA 0.583 4.919 4.340 -0.007 0.000 0.269 30 L C 0.466 177.369 176.870 0.055 0.000 1.010 30 L CA -0.885 53.989 54.840 0.057 0.000 0.818 30 L CB 1.988 44.073 42.059 0.044 0.000 1.306 30 L HN 0.219 nan 8.230 nan 0.000 0.430 31 R N 2.008 122.544 120.500 0.060 0.000 2.664 31 R HA 0.709 5.045 4.340 -0.007 0.000 0.286 31 R C -1.021 175.330 176.300 0.086 0.000 0.967 31 R CA -0.721 55.418 56.100 0.064 0.000 0.933 31 R CB 2.574 32.901 30.300 0.047 0.000 1.146 31 R HN 0.564 nan 8.270 nan 0.000 0.468 32 M N 1.590 121.267 119.600 0.129 0.000 2.263 32 M HA 0.294 4.770 4.480 -0.007 0.000 0.295 32 M C -1.124 175.326 176.300 0.251 0.000 1.028 32 M CA -0.416 55.000 55.300 0.193 0.000 0.921 32 M CB 2.108 34.844 32.600 0.226 0.000 1.601 32 M HN 0.746 nan 8.290 nan 0.000 0.440 33 S N 3.533 119.392 115.700 0.265 0.000 2.593 33 S HA 0.908 5.374 4.470 -0.007 0.000 0.297 33 S C -1.220 173.683 174.600 0.505 0.000 1.112 33 S CA -0.567 57.805 58.200 0.286 0.000 1.043 33 S CB 1.201 64.546 63.200 0.241 0.000 1.054 33 S HN 0.882 nan 8.310 nan 0.000 0.516 34 W N 0.125 121.612 121.300 0.312 0.000 3.005 34 W HA 0.787 5.443 4.660 -0.006 0.000 0.343 34 W C -2.233 174.377 176.519 0.152 0.000 1.243 34 W CA -1.419 56.019 57.345 0.156 0.000 1.186 34 W CB -0.023 29.404 29.460 -0.055 0.000 1.453 34 W HN 0.914 nan 8.180 nan 0.000 0.575 35 W N 1.730 123.055 121.300 0.043 0.000 2.820 35 W HA 0.939 5.595 4.660 -0.007 0.000 0.350 35 W C -0.263 176.465 176.519 0.349 0.000 1.116 35 W CA -0.871 56.506 57.345 0.053 0.000 1.146 35 W CB 1.573 30.943 29.460 -0.150 0.000 1.433 35 W HN 1.277 nan 8.180 nan 0.000 0.561 36 G N -0.043 109.021 108.800 0.440 0.000 2.324 36 G HA2 0.443 4.399 3.960 -0.007 0.000 0.293 36 G HA3 0.443 4.399 3.960 -0.007 0.000 0.293 36 G C -0.678 174.161 174.900 -0.102 0.000 1.297 36 G CA -0.368 44.790 45.100 0.096 0.000 0.853 36 G HN 1.153 nan 8.290 nan 0.000 0.535 37 G N -0.976 107.673 108.800 -0.251 0.000 2.580 37 G HA2 0.409 4.365 3.960 -0.007 0.000 0.278 37 G HA3 0.409 4.365 3.960 -0.007 0.000 0.278 37 G C 0.892 175.548 174.900 -0.408 0.000 1.212 37 G CA 0.498 45.428 45.100 -0.284 0.000 0.939 37 G HN 0.728 nan 8.290 nan 0.000 0.513 38 N N -0.151 118.468 118.700 -0.134 0.000 2.223 38 N HA -0.085 4.651 4.740 -0.007 0.000 0.185 38 N C 2.382 177.877 175.510 -0.025 0.000 1.016 38 N CA 1.949 55.005 53.050 0.011 0.000 0.863 38 N CB -0.558 38.018 38.487 0.148 0.000 0.983 38 N HN 0.507 nan 8.380 nan 0.000 0.429 39 G N 0.667 109.424 108.800 -0.072 0.000 2.513 39 G HA2 -0.342 3.614 3.960 -0.007 0.000 0.219 39 G HA3 -0.342 3.614 3.960 -0.007 0.000 0.219 39 G C 1.650 176.492 174.900 -0.096 0.000 1.160 39 G CA 1.045 46.103 45.100 -0.070 0.000 0.767 39 G HN 0.437 nan 8.290 nan 0.000 0.571 40 R N -0.641 119.759 120.500 -0.165 0.000 2.090 40 R HA -0.065 4.271 4.340 -0.007 0.000 0.228 40 R C 2.400 178.641 176.300 -0.099 0.000 1.110 40 R CA 1.080 57.067 56.100 -0.188 0.000 0.973 40 R CB -0.366 29.794 30.300 -0.234 0.000 0.869 40 R HN 0.415 nan 8.270 nan 0.000 0.440 41 H N 0.933 120.058 119.070 0.092 0.000 2.290 41 H HA -0.133 4.419 4.556 -0.006 0.000 0.298 41 H C 2.049 177.347 175.328 -0.051 0.000 1.087 41 H CA 1.821 57.936 56.048 0.110 0.000 1.291 41 H CB -0.464 29.326 29.762 0.047 0.000 1.369 41 H HN 0.383 nan 8.280 nan 0.000 0.492 42 Q N 0.234 120.083 119.800 0.081 0.000 2.061 42 Q HA -0.118 4.218 4.340 -0.007 0.000 0.204 42 Q C 2.618 178.601 176.000 -0.028 0.000 0.984 42 Q CA 2.077 57.896 55.803 0.027 0.000 0.846 42 Q CB -0.178 28.576 28.738 0.027 0.000 0.902 42 Q HN 0.465 nan 8.270 nan 0.000 0.421 43 V N -2.222 117.648 119.914 -0.074 0.000 2.453 43 V HA -0.161 3.955 4.120 -0.007 0.000 0.247 43 V C 1.905 177.900 176.094 -0.165 0.000 1.048 43 V CA 1.998 64.233 62.300 -0.109 0.000 1.049 43 V CB -0.995 30.753 31.823 -0.125 0.000 0.672 43 V HN 0.226 nan 8.190 nan 0.000 0.457 44 T N 1.323 115.705 114.554 -0.286 0.000 2.777 44 T HA 0.024 4.370 4.350 -0.007 0.000 0.266 44 T C 1.930 176.465 174.700 -0.275 0.000 1.040 44 T CA 2.035 63.845 62.100 -0.483 0.000 1.141 44 T CB -0.386 67.770 68.868 -1.187 0.000 0.868 44 T HN 0.432 nan 8.240 nan 0.000 0.444 45 L N 0.833 121.979 121.223 -0.129 0.000 2.046 45 L HA -0.097 4.239 4.340 -0.007 0.000 0.208 45 L C 2.730 179.617 176.870 0.028 0.000 1.077 45 L CA 1.375 56.220 54.840 0.008 0.000 0.747 45 L CB -0.524 41.552 42.059 0.029 0.000 0.896 45 L HN 0.249 nan 8.230 nan 0.000 0.432 46 K N 0.637 121.042 120.400 0.009 0.000 2.009 46 K HA -0.238 4.078 4.320 -0.007 0.000 0.210 46 K C 2.140 178.785 176.600 0.074 0.000 1.049 46 K CA 1.677 57.985 56.287 0.035 0.000 0.929 46 K CB -0.152 32.355 32.500 0.012 0.000 0.714 46 K HN 0.249 nan 8.250 nan 0.000 0.440 47 A N 1.484 124.337 122.820 0.055 0.000 1.883 47 A HA -0.138 4.178 4.320 -0.007 0.000 0.217 47 A C 2.200 179.948 177.584 0.272 0.000 1.186 47 A CA 1.557 53.697 52.037 0.171 0.000 0.624 47 A CB -0.720 18.316 19.000 0.061 0.000 0.822 47 A HN 0.371 nan 8.150 nan 0.000 0.444 48 L N -0.652 120.654 121.223 0.137 0.000 2.079 48 L HA -0.231 4.105 4.340 -0.007 0.000 0.210 48 L C 2.673 179.661 176.870 0.197 0.000 1.081 48 L CA 1.804 56.740 54.840 0.159 0.000 0.752 48 L CB -0.545 41.580 42.059 0.110 0.000 0.896 48 L HN 0.622 nan 8.230 nan 0.000 0.433 49 E N 0.132 120.425 120.200 0.156 0.000 2.118 49 E HA -0.262 4.084 4.350 -0.007 0.000 0.195 49 E C 2.064 178.750 176.600 0.144 0.000 0.992 49 E CA 1.130 57.620 56.400 0.149 0.000 0.804 49 E CB 0.136 29.902 29.700 0.110 0.000 0.741 49 E HN 0.363 nan 8.360 nan 0.000 0.458 50 E N 0.118 120.411 120.200 0.156 0.000 2.046 50 E HA -0.144 4.202 4.350 -0.007 0.000 0.190 50 E C 1.841 178.429 176.600 -0.020 0.000 0.982 50 E CA 0.601 57.084 56.400 0.137 0.000 0.800 50 E CB -0.450 29.441 29.700 0.318 0.000 0.756 50 E HN 0.293 nan 8.360 nan 0.000 0.449 51 F N 1.841 121.588 119.950 -0.338 0.000 2.065 51 F HA -0.284 4.239 4.527 -0.007 0.000 0.298 51 F C 2.513 178.209 175.800 -0.174 0.000 1.112 51 F CA 2.340 59.923 58.000 -0.695 0.000 1.212 51 F CB -0.669 37.928 39.000 -0.671 0.000 0.975 51 F HN 0.232 nan 8.300 nan 0.000 0.476 52 H N 0.480 119.484 119.070 -0.110 0.000 2.352 52 H HA -0.224 4.328 4.556 -0.006 0.000 0.299 52 H C 2.442 177.667 175.328 -0.172 0.000 1.097 52 H CA 1.960 57.926 56.048 -0.136 0.000 1.311 52 H CB -0.255 29.508 29.762 0.002 0.000 1.377 52 H HN 0.372 nan 8.280 nan 0.000 0.504 53 K N 0.539 120.805 120.400 -0.224 0.000 2.044 53 K HA -0.185 4.131 4.320 -0.007 0.000 0.210 53 K C 2.202 178.603 176.600 -0.331 0.000 1.049 53 K CA 1.895 58.027 56.287 -0.258 0.000 0.927 53 K CB 0.008 32.443 32.500 -0.108 0.000 0.713 53 K HN 0.467 nan 8.250 nan 0.000 0.443 54 Q N -0.991 118.581 119.800 -0.381 0.000 2.369 54 Q HA -0.063 4.273 4.340 -0.007 0.000 0.206 54 Q C -0.120 175.302 176.000 -0.963 0.000 0.963 54 Q CA 0.659 56.124 55.803 -0.563 0.000 0.894 54 Q CB 0.301 28.746 28.738 -0.490 0.000 0.965 54 Q HN 0.446 nan 8.270 nan 0.000 0.475 55 H N -1.065 117.681 119.070 -0.540 0.000 2.488 55 H HA 0.168 4.720 4.556 -0.007 0.000 0.237 55 H C -2.090 172.989 175.328 -0.415 0.000 1.395 55 H CA -1.808 53.943 56.048 -0.496 0.000 1.491 55 H CB 1.327 30.655 29.762 -0.724 0.000 1.567 55 H HN 0.006 nan 8.280 nan 0.000 0.508 56 P HA -0.194 nan 4.420 nan 0.000 0.219 56 P C 1.386 178.635 177.300 -0.086 0.000 1.144 56 P CA 1.298 64.207 63.100 -0.318 0.000 0.806 56 P CB 0.336 31.910 31.700 -0.211 0.000 0.771 57 N N -0.920 117.752 118.700 -0.047 0.000 2.299 57 N HA 0.003 4.739 4.740 -0.007 0.000 0.187 57 N C 0.177 175.696 175.510 0.015 0.000 1.099 57 N CA 0.257 53.305 53.050 -0.005 0.000 0.867 57 N CB 0.011 38.485 38.487 -0.021 0.000 0.974 57 N HN 0.176 nan 8.380 nan 0.000 0.477 58 I N 1.421 122.019 120.570 0.047 0.000 2.382 58 I HA 0.257 4.423 4.170 -0.007 0.000 0.285 58 I C -0.984 175.243 176.117 0.183 0.000 1.007 58 I CA -0.750 60.588 61.300 0.063 0.000 1.142 58 I CB 1.046 39.054 38.000 0.014 0.000 1.289 58 I HN -0.112 nan 8.210 nan 0.000 0.453 59 N N 5.344 124.096 118.700 0.087 0.000 2.430 59 N HA 0.582 5.318 4.740 -0.007 0.000 0.292 59 N C -1.106 174.427 175.510 0.039 0.000 1.051 59 N CA -0.669 52.380 53.050 -0.001 0.000 0.917 59 N CB 2.550 41.003 38.487 -0.058 0.000 1.164 59 N HN 0.182 nan 8.380 nan 0.000 0.484 60 V N 1.947 121.886 119.914 0.042 0.000 2.444 60 V HA 0.299 4.415 4.120 -0.007 0.000 0.294 60 V C -0.132 175.993 176.094 0.051 0.000 1.022 60 V CA -0.828 61.512 62.300 0.067 0.000 0.850 60 V CB 1.404 33.283 31.823 0.093 0.000 0.992 60 V HN 0.591 nan 8.190 nan 0.000 0.426 61 K N 3.332 123.762 120.400 0.050 0.000 2.297 61 K HA 0.662 4.978 4.320 -0.007 0.000 0.286 61 K C 0.125 176.785 176.600 0.100 0.000 1.053 61 K CA 0.138 56.459 56.287 0.056 0.000 0.940 61 K CB 1.270 33.787 32.500 0.028 0.000 1.019 61 K HN 0.873 nan 8.250 nan 0.000 0.475 62 A N 3.652 126.556 122.820 0.138 0.000 2.309 62 A HA 0.330 4.645 4.320 -0.007 0.000 0.298 62 A C -0.791 176.822 177.584 0.047 0.000 1.165 62 A CA -0.554 51.604 52.037 0.202 0.000 0.821 62 A CB 0.417 19.636 19.000 0.365 0.000 1.102 62 A HN 0.770 nan 8.150 nan 0.000 0.500 63 E N 1.271 121.423 120.200 -0.081 0.000 2.279 63 E HA 0.461 4.807 4.350 -0.007 0.000 0.252 63 E C -1.897 174.474 176.600 -0.380 0.000 0.894 63 E CA -0.292 55.979 56.400 -0.214 0.000 0.785 63 E CB 1.525 31.163 29.700 -0.103 0.000 1.237 63 E HN 0.669 nan 8.360 nan 0.000 0.418 64 Y N -0.245 119.678 120.300 -0.629 0.000 2.504 64 Y HA 0.740 5.286 4.550 -0.006 0.000 0.344 64 Y C -0.418 175.218 175.900 -0.441 0.000 1.023 64 Y CA -0.948 56.623 58.100 -0.881 0.000 1.020 64 Y CB 1.530 38.882 38.460 -1.847 0.000 1.282 64 Y HN 0.340 nan 8.280 nan 0.000 0.454 65 T N -0.442 114.114 114.554 0.004 0.000 2.696 65 T HA 0.814 5.160 4.350 -0.007 0.000 0.291 65 T C 0.260 175.226 174.700 0.444 0.000 1.095 65 T CA -0.530 61.669 62.100 0.165 0.000 1.026 65 T CB 1.182 70.162 68.868 0.187 0.000 1.390 65 T HN 1.196 nan 8.240 nan 0.000 0.513 66 G N -0.920 108.130 108.800 0.416 0.000 2.588 66 G HA2 0.297 4.253 3.960 -0.007 0.000 0.278 66 G HA3 0.297 4.253 3.960 -0.007 0.000 0.278 66 G C 0.552 175.734 174.900 0.469 0.000 1.307 66 G CA -0.623 44.762 45.100 0.476 0.000 1.016 66 G HN 0.846 nan 8.290 nan 0.000 0.503 67 W N -0.241 121.237 121.300 0.297 0.000 2.374 67 W HA -0.069 4.588 4.660 -0.005 0.000 0.288 67 W C 0.227 176.810 176.519 0.107 0.000 1.218 67 W CA 1.013 58.408 57.345 0.084 0.000 1.245 67 W CB 0.055 29.554 29.460 0.064 0.000 1.126 67 W HN 0.485 nan 8.180 nan 0.000 0.545 68 D N -0.578 119.869 120.400 0.078 0.000 2.390 68 D HA 0.288 4.924 4.640 -0.007 0.000 0.249 68 D C 1.211 177.446 176.300 -0.109 0.000 1.144 68 D CA 1.873 55.839 54.000 -0.056 0.000 0.880 68 D CB 0.507 41.365 40.800 0.098 0.000 1.182 68 D HN 0.269 nan 8.370 nan 0.000 0.451 69 G N 3.029 111.709 108.800 -0.201 0.000 2.189 69 G HA2 -0.432 3.524 3.960 -0.007 0.000 0.267 69 G HA3 -0.432 3.524 3.960 -0.007 0.000 0.267 69 G C 0.959 175.729 174.900 -0.215 0.000 0.975 69 G CA 1.001 45.997 45.100 -0.173 0.000 0.644 69 G HN 0.758 nan 8.290 nan 0.000 0.537 70 H N -0.210 118.642 119.070 -0.362 0.000 2.326 70 H HA 0.175 4.727 4.556 -0.006 0.000 0.301 70 H C 2.592 177.716 175.328 -0.340 0.000 1.081 70 H CA 2.072 57.957 56.048 -0.272 0.000 1.334 70 H CB -0.113 29.551 29.762 -0.163 0.000 1.385 70 H HN 0.417 nan 8.280 nan 0.000 0.504 71 L N -0.110 120.838 121.223 -0.459 0.000 2.013 71 L HA -0.193 4.143 4.340 -0.007 0.000 0.212 71 L C 2.539 179.150 176.870 -0.432 0.000 1.073 71 L CA 2.221 56.672 54.840 -0.647 0.000 0.753 71 L CB -1.371 40.272 42.059 -0.694 0.000 0.890 71 L HN 0.353 nan 8.230 nan 0.000 0.432 72 S N -0.764 114.738 115.700 -0.329 0.000 2.359 72 S HA -0.238 4.228 4.470 -0.007 0.000 0.224 72 S C 2.209 176.683 174.600 -0.210 0.000 1.035 72 S CA 1.566 59.632 58.200 -0.223 0.000 1.018 72 S CB -0.256 62.837 63.200 -0.179 0.000 0.876 72 S HN 0.569 nan 8.310 nan 0.000 0.448 73 R N -0.057 120.294 120.500 -0.248 0.000 2.081 73 R HA -0.029 4.307 4.340 -0.007 0.000 0.235 73 R C 2.391 178.539 176.300 -0.253 0.000 1.131 73 R CA 1.571 57.529 56.100 -0.237 0.000 0.960 73 R CB -0.555 29.589 30.300 -0.260 0.000 0.856 73 R HN 0.438 nan 8.270 nan 0.000 0.436 74 L N 0.667 121.691 121.223 -0.332 0.000 2.156 74 L HA -0.077 4.259 4.340 -0.007 0.000 0.208 74 L C 1.788 178.481 176.870 -0.295 0.000 1.095 74 L CA 1.830 56.480 54.840 -0.316 0.000 0.770 74 L CB -0.438 41.411 42.059 -0.351 0.000 0.914 74 L HN 0.051 nan 8.230 nan 0.000 0.439 75 T N -0.968 113.470 114.554 -0.194 0.000 2.720 75 T HA -0.174 4.172 4.350 -0.007 0.000 0.268 75 T C 1.724 176.384 174.700 -0.068 0.000 1.037 75 T CA 1.961 64.047 62.100 -0.023 0.000 1.144 75 T CB -0.533 68.354 68.868 0.032 0.000 0.864 75 T HN 0.433 nan 8.240 nan 0.000 0.444 76 T N 1.993 116.485 114.554 -0.104 0.000 2.788 76 T HA -0.099 4.247 4.350 -0.007 0.000 0.268 76 T C 2.159 176.798 174.700 -0.101 0.000 1.044 76 T CA 1.097 63.142 62.100 -0.092 0.000 1.139 76 T CB -0.228 68.581 68.868 -0.097 0.000 0.867 76 T HN 0.459 nan 8.240 nan 0.000 0.454 77 Q N 0.068 119.789 119.800 -0.133 0.000 2.046 77 Q HA 0.034 4.370 4.340 -0.007 0.000 0.200 77 Q C 2.379 178.298 176.000 -0.136 0.000 0.975 77 Q CA 1.145 56.871 55.803 -0.128 0.000 0.836 77 Q CB -0.252 28.400 28.738 -0.144 0.000 0.896 77 Q HN 0.499 nan 8.270 nan 0.000 0.428 78 I N 0.477 120.930 120.570 -0.195 0.000 2.226 78 I HA -0.274 3.892 4.170 -0.007 0.000 0.245 78 I C 2.313 178.360 176.117 -0.117 0.000 1.100 78 I CA 0.935 62.105 61.300 -0.217 0.000 1.374 78 I CB -0.329 37.403 38.000 -0.447 0.000 1.057 78 I HN 0.170 nan 8.210 nan 0.000 0.413 79 A N 0.413 123.187 122.820 -0.076 0.000 2.019 79 A HA -0.075 4.241 4.320 -0.007 0.000 0.219 79 A C 2.180 179.734 177.584 -0.050 0.000 1.164 79 A CA 1.761 53.771 52.037 -0.045 0.000 0.644 79 A CB -0.922 18.059 19.000 -0.031 0.000 0.805 79 A HN 0.485 nan 8.150 nan 0.000 0.449 80 G N -2.119 106.645 108.800 -0.059 0.000 3.233 80 G HA2 0.394 4.350 3.960 -0.007 0.000 0.234 80 G HA3 0.394 4.350 3.960 -0.007 0.000 0.234 80 G C 1.010 175.879 174.900 -0.052 0.000 1.137 80 G CA 0.459 45.528 45.100 -0.052 0.000 0.763 80 G HN 1.496 nan 8.290 nan 0.000 0.549 81 G N 0.778 109.540 108.800 -0.062 0.000 2.249 81 G HA2 -0.259 3.697 3.960 -0.007 0.000 0.273 81 G HA3 -0.259 3.697 3.960 -0.007 0.000 0.273 81 G C 0.834 175.701 174.900 -0.054 0.000 1.036 81 G CA 1.188 46.252 45.100 -0.060 0.000 0.824 81 G HN 1.270 nan 8.290 nan 0.000 0.504 82 T N -1.906 112.611 114.554 -0.062 0.000 3.215 82 T HA 0.473 4.819 4.350 -0.007 0.000 0.271 82 T C 0.717 175.385 174.700 -0.053 0.000 1.012 82 T CA 0.404 62.473 62.100 -0.051 0.000 0.899 82 T CB 0.459 69.298 68.868 -0.049 0.000 1.089 82 T HN 0.729 nan 8.240 nan 0.000 0.552 83 E N 1.497 121.660 120.200 -0.062 0.000 2.392 83 E HA 0.284 4.630 4.350 -0.007 0.000 0.259 83 E C -2.680 173.917 176.600 -0.005 0.000 1.108 83 E CA -1.945 54.424 56.400 -0.052 0.000 0.916 83 E CB 0.023 29.675 29.700 -0.081 0.000 0.989 83 E HN 0.115 nan 8.360 nan 0.000 0.432 84 P HA -0.015 nan 4.420 nan 0.000 0.270 84 P C 0.238 177.575 177.300 0.061 0.000 1.227 84 P CA -0.107 63.022 63.100 0.048 0.000 0.788 84 P CB 0.446 32.191 31.700 0.076 0.000 0.926 85 D N -0.641 119.794 120.400 0.057 0.000 2.123 85 D HA -0.020 4.616 4.640 -0.007 0.000 0.200 85 D C 0.274 176.601 176.300 0.044 0.000 0.976 85 D CA 1.447 55.474 54.000 0.045 0.000 0.831 85 D CB 0.224 41.055 40.800 0.052 0.000 0.974 85 D HN 0.063 nan 8.370 nan 0.000 0.469 86 V N 1.427 121.374 119.914 0.055 0.000 2.540 86 V HA 0.380 4.496 4.120 -0.007 0.000 0.302 86 V C -0.232 175.926 176.094 0.107 0.000 1.035 86 V CA -0.425 61.905 62.300 0.050 0.000 0.873 86 V CB 2.092 33.916 31.823 0.001 0.000 0.992 86 V HN -0.033 nan 8.190 nan 0.000 0.428 87 M N 3.629 123.293 119.600 0.107 0.000 2.393 87 M HA 0.455 4.931 4.480 -0.007 0.000 0.299 87 M C -0.646 175.743 176.300 0.149 0.000 1.103 87 M CA -0.370 55.043 55.300 0.188 0.000 0.910 87 M CB 2.469 35.206 32.600 0.229 0.000 1.659 87 M HN 0.649 nan 8.290 nan 0.000 0.445 88 Q N 2.590 122.533 119.800 0.238 0.000 2.295 88 Q HA 0.354 4.690 4.340 -0.007 0.000 0.259 88 Q C -0.858 175.359 176.000 0.361 0.000 0.976 88 Q CA -0.051 55.824 55.803 0.121 0.000 0.923 88 Q CB 0.903 29.613 28.738 -0.046 0.000 1.185 88 Q HN 0.771 nan 8.270 nan 0.000 0.410 89 T N 1.001 115.646 114.554 0.152 0.000 2.942 89 T HA 0.506 4.852 4.350 -0.007 0.000 0.289 89 T C -0.420 174.136 174.700 -0.239 0.000 1.044 89 T CA -0.976 61.173 62.100 0.081 0.000 1.023 89 T CB 1.475 70.336 68.868 -0.012 0.000 1.123 89 T HN 0.482 nan 8.240 nan 0.000 0.512 90 N N -0.565 117.544 118.700 -0.984 0.000 2.417 90 N HA 0.358 5.094 4.740 -0.007 0.000 0.300 90 N C -0.094 175.152 175.510 -0.439 0.000 1.102 90 N CA -1.135 51.401 53.050 -0.857 0.000 0.886 90 N CB 1.446 39.070 38.487 -1.437 0.000 1.203 90 N HN 0.922 nan 8.380 nan 0.000 0.496 91 W N 3.469 124.554 121.300 -0.358 0.000 2.363 91 W HA -0.124 4.532 4.660 -0.006 0.000 0.296 91 W C 1.622 178.095 176.519 -0.077 0.000 1.212 91 W CA 1.508 58.743 57.345 -0.184 0.000 1.260 91 W CB -0.112 29.238 29.460 -0.184 0.000 1.131 91 W HN 0.707 nan 8.180 nan 0.000 0.530 92 N N -0.445 118.145 118.700 -0.184 0.000 2.520 92 N HA -0.200 4.536 4.740 -0.007 0.000 0.185 92 N C 1.057 176.562 175.510 -0.008 0.000 1.068 92 N CA 1.295 54.189 53.050 -0.261 0.000 0.911 92 N CB -1.400 37.136 38.487 0.080 0.000 0.961 92 N HN 0.247 nan 8.380 nan 0.000 0.446 93 W N 1.199 122.460 121.300 -0.065 0.000 2.800 93 W HA 0.303 4.960 4.660 -0.005 0.000 0.249 93 W C 1.979 178.504 176.519 0.010 0.000 1.294 93 W CA -0.542 56.799 57.345 -0.006 0.000 1.402 93 W CB -0.837 28.817 29.460 0.322 0.000 1.126 93 W HN 0.053 nan 8.180 nan 0.000 0.652 94 L N 0.758 122.068 121.223 0.145 0.000 2.012 94 L HA -0.197 4.139 4.340 -0.007 0.000 0.210 94 L C -0.079 176.791 176.870 -0.001 0.000 1.073 94 L CA 1.569 56.471 54.840 0.104 0.000 0.748 94 L CB -2.109 39.923 42.059 -0.046 0.000 0.891 94 L HN -0.137 nan 8.230 nan 0.000 0.431 95 P HA -0.094 nan 4.420 nan 0.000 0.221 95 P C 1.704 178.941 177.300 -0.104 0.000 1.150 95 P CA 1.245 64.268 63.100 -0.128 0.000 0.800 95 P CB 0.057 31.575 31.700 -0.303 0.000 0.787 96 I N -2.334 118.113 120.570 -0.205 0.000 2.233 96 I HA -0.175 3.991 4.170 -0.007 0.000 0.243 96 I C 1.552 177.372 176.117 -0.494 0.000 1.093 96 I CA 1.585 62.619 61.300 -0.443 0.000 1.380 96 I CB -0.529 36.999 38.000 -0.786 0.000 1.067 96 I HN -0.150 nan 8.210 nan 0.000 0.413 97 F N -0.958 118.998 119.950 0.010 0.000 2.720 97 F HA 0.224 4.746 4.527 -0.007 0.000 0.301 97 F C 1.467 177.187 175.800 -0.133 0.000 1.103 97 F CA 0.000 57.941 58.000 -0.098 0.000 1.291 97 F CB 0.238 39.127 39.000 -0.185 0.000 1.086 97 F HN -0.183 nan 8.300 nan 0.000 0.592 98 S N -0.446 115.311 115.700 0.094 0.000 2.701 98 S HA 0.173 4.639 4.470 -0.007 0.000 0.228 98 S C 1.183 175.816 174.600 0.054 0.000 0.948 98 S CA -0.342 57.903 58.200 0.074 0.000 1.129 98 S CB -0.151 63.157 63.200 0.181 0.000 1.352 98 S HN 0.048 nan 8.310 nan 0.000 0.446 99 K N 2.143 122.559 120.400 0.027 0.000 2.152 99 K HA -0.102 4.214 4.320 -0.007 0.000 0.206 99 K C 1.065 177.684 176.600 0.031 0.000 1.048 99 K CA 2.339 58.642 56.287 0.026 0.000 0.933 99 K CB 0.040 32.552 32.500 0.021 0.000 0.721 99 K HN 0.565 nan 8.250 nan 0.000 0.447 100 D N -2.352 118.064 120.400 0.027 0.000 2.402 100 D HA 0.158 4.794 4.640 -0.007 0.000 0.216 100 D C 0.932 177.254 176.300 0.037 0.000 1.128 100 D CA 0.463 54.479 54.000 0.027 0.000 0.833 100 D CB 0.077 40.887 40.800 0.016 0.000 0.971 100 D HN 0.242 nan 8.370 nan 0.000 0.503 101 G N 0.543 109.373 108.800 0.051 0.000 2.184 101 G HA2 -0.353 3.603 3.960 -0.007 0.000 0.264 101 G HA3 -0.353 3.603 3.960 -0.007 0.000 0.264 101 G C 1.074 176.008 174.900 0.058 0.000 0.975 101 G CA 0.955 46.097 45.100 0.069 0.000 0.642 101 G HN 0.675 nan 8.290 nan 0.000 0.536 102 T N -2.132 112.439 114.554 0.028 0.000 3.086 102 T HA 0.446 4.792 4.350 -0.007 0.000 0.250 102 T C 2.154 176.839 174.700 -0.026 0.000 1.074 102 T CA 1.100 63.202 62.100 0.003 0.000 0.988 102 T CB 0.608 69.470 68.868 -0.010 0.000 0.988 102 T HN 1.026 nan 8.240 nan 0.000 0.530 103 G N 0.542 109.309 108.800 -0.056 0.000 2.443 103 G HA2 0.229 4.185 3.960 -0.007 0.000 0.219 103 G HA3 0.229 4.185 3.960 -0.007 0.000 0.219 103 G C 0.024 174.615 174.900 -0.515 0.000 1.131 103 G CA 0.186 45.131 45.100 -0.260 0.000 0.775 103 G HN 0.521 nan 8.290 nan 0.000 0.547 104 F N -2.837 117.160 119.950 0.079 0.000 2.593 104 F HA 0.491 5.014 4.527 -0.006 0.000 0.320 104 F C -0.303 175.556 175.800 0.099 0.000 1.060 104 F CA -2.064 55.992 58.000 0.093 0.000 0.940 104 F CB 1.093 40.150 39.000 0.095 0.000 1.268 104 F HN -0.035 nan 8.300 nan 0.000 0.475 105 Y N 2.020 122.446 120.300 0.209 0.000 2.712 105 Y HA -0.059 4.486 4.550 -0.007 0.000 0.333 105 Y C 0.799 176.752 175.900 0.089 0.000 1.225 105 Y CA 0.214 58.382 58.100 0.113 0.000 1.499 105 Y CB 0.213 38.724 38.460 0.086 0.000 1.288 105 Y HN 0.590 nan 8.280 nan 0.000 0.575 106 N N 6.192 124.731 118.700 -0.269 0.000 2.416 106 N HA -0.001 4.735 4.740 -0.007 0.000 0.271 106 N C 0.591 176.099 175.510 -0.004 0.000 1.245 106 N CA -0.268 52.704 53.050 -0.130 0.000 0.940 106 N CB 0.352 38.759 38.487 -0.134 0.000 1.175 106 N HN 0.814 nan 8.380 nan 0.000 0.483 107 L N 3.544 124.759 121.223 -0.014 0.000 2.465 107 L HA -0.097 4.239 4.340 -0.007 0.000 0.224 107 L C 1.341 178.223 176.870 0.020 0.000 1.145 107 L CA 0.604 55.449 54.840 0.009 0.000 0.834 107 L CB -0.290 41.694 42.059 -0.126 0.000 0.944 107 L HN 0.684 nan 8.230 nan 0.000 0.451 108 F N -0.288 119.696 119.950 0.057 0.000 2.269 108 F HA -0.183 4.340 4.527 -0.007 0.000 0.301 108 F C 2.508 178.346 175.800 0.064 0.000 1.082 108 F CA 0.680 58.709 58.000 0.049 0.000 1.360 108 F CB -0.124 38.891 39.000 0.026 0.000 1.041 108 F HN 0.019 nan 8.300 nan 0.000 0.512 109 S N -0.298 115.542 115.700 0.233 0.000 2.555 109 S HA -0.061 4.405 4.470 -0.007 0.000 0.230 109 S C 1.387 176.136 174.600 0.247 0.000 0.978 109 S CA 1.014 59.338 58.200 0.207 0.000 0.934 109 S CB -0.177 63.109 63.200 0.145 0.000 0.766 109 S HN 0.310 nan 8.310 nan 0.000 0.533 110 V N -0.324 119.733 119.914 0.239 0.000 3.070 110 V HA 0.316 4.432 4.120 -0.007 0.000 0.345 110 V C 1.297 177.476 176.094 0.141 0.000 1.403 110 V CA -0.513 61.893 62.300 0.178 0.000 1.155 110 V CB -0.313 31.597 31.823 0.145 0.000 1.140 110 V HN 0.380 nan 8.190 nan 0.000 0.505 111 K N 0.902 121.396 120.400 0.158 0.000 2.360 111 K HA -0.205 4.111 4.320 -0.007 0.000 0.201 111 K C 1.577 178.248 176.600 0.119 0.000 1.046 111 K CA 1.983 58.360 56.287 0.149 0.000 0.945 111 K CB 0.021 32.631 32.500 0.183 0.000 0.750 111 K HN 0.581 nan 8.250 nan 0.000 0.464 112 E N 1.285 121.549 120.200 0.106 0.000 2.153 112 E HA -0.194 4.152 4.350 -0.007 0.000 0.194 112 E C 1.604 178.256 176.600 0.087 0.000 0.988 112 E CA 1.476 57.929 56.400 0.088 0.000 0.811 112 E CB 0.164 29.913 29.700 0.081 0.000 0.746 112 E HN 0.437 nan 8.360 nan 0.000 0.466 113 Q N -0.808 119.047 119.800 0.091 0.000 2.373 113 Q HA 0.250 4.586 4.340 -0.007 0.000 0.210 113 Q C -0.589 175.470 176.000 0.099 0.000 0.913 113 Q CA 0.173 56.029 55.803 0.088 0.000 0.911 113 Q CB 0.632 29.415 28.738 0.075 0.000 1.040 113 Q HN 0.185 nan 8.270 nan 0.000 0.521 114 L N 1.285 122.570 121.223 0.103 0.000 2.319 114 L HA 0.394 4.730 4.340 -0.007 0.000 0.281 114 L C -1.390 175.567 176.870 0.145 0.000 1.005 114 L CA -0.735 54.175 54.840 0.116 0.000 0.828 114 L CB 1.552 43.663 42.059 0.087 0.000 1.227 114 L HN -0.113 nan 8.230 nan 0.000 0.415 115 D N 4.680 125.180 120.400 0.166 0.000 2.453 115 D HA 0.137 4.773 4.640 -0.007 0.000 0.223 115 D C 1.032 177.479 176.300 0.245 0.000 1.183 115 D CA 0.133 54.223 54.000 0.151 0.000 0.933 115 D CB 0.445 41.294 40.800 0.082 0.000 1.038 115 D HN 0.653 nan 8.370 nan 0.000 0.513 116 L N 2.562 123.932 121.223 0.245 0.000 2.217 116 L HA -0.024 4.312 4.340 -0.007 0.000 0.211 116 L C 2.226 179.279 176.870 0.306 0.000 1.107 116 L CA 0.707 55.749 54.840 0.337 0.000 0.783 116 L CB -0.207 41.999 42.059 0.245 0.000 0.919 116 L HN 0.394 nan 8.230 nan 0.000 0.442 117 A N -0.800 122.111 122.820 0.152 0.000 2.216 117 A HA -0.137 4.179 4.320 -0.007 0.000 0.214 117 A C 2.089 179.663 177.584 -0.017 0.000 1.160 117 A CA 0.776 52.861 52.037 0.078 0.000 0.725 117 A CB -0.195 18.834 19.000 0.048 0.000 0.784 117 A HN 0.369 nan 8.150 nan 0.000 0.472 118 Q N -0.970 118.735 119.800 -0.158 0.000 2.369 118 Q HA 0.027 4.363 4.340 -0.007 0.000 0.206 118 Q C -0.560 175.106 176.000 -0.556 0.000 0.963 118 Q CA 0.599 56.133 55.803 -0.448 0.000 0.894 118 Q CB -0.118 28.169 28.738 -0.751 0.000 0.965 118 Q HN 0.689 nan 8.270 nan 0.000 0.475 119 F N 0.806 120.754 119.950 -0.003 0.000 2.421 119 F HA 0.201 4.724 4.527 -0.006 0.000 0.337 119 F C 0.513 176.315 175.800 0.004 0.000 1.105 119 F CA -1.793 56.200 58.000 -0.011 0.000 1.049 119 F CB 0.771 39.758 39.000 -0.022 0.000 1.139 119 F HN -0.196 nan 8.300 nan 0.000 0.479 120 D N 3.833 124.322 120.400 0.149 0.000 2.455 120 D HA 0.082 4.718 4.640 -0.007 0.000 0.241 120 D C -1.704 174.662 176.300 0.110 0.000 1.138 120 D CA -1.218 52.840 54.000 0.095 0.000 0.877 120 D CB 1.109 41.951 40.800 0.070 0.000 1.187 120 D HN 0.164 nan 8.370 nan 0.000 0.451 121 P HA -0.149 nan 4.420 nan 0.000 0.219 121 P C 0.780 178.133 177.300 0.088 0.000 1.146 121 P CA 1.251 64.412 63.100 0.101 0.000 0.808 121 P CB 0.193 31.944 31.700 0.086 0.000 0.779 122 K N -0.613 119.831 120.400 0.073 0.000 2.243 122 K HA -0.021 4.295 4.320 -0.007 0.000 0.201 122 K C 1.727 178.357 176.600 0.050 0.000 1.051 122 K CA 0.773 57.098 56.287 0.064 0.000 0.970 122 K CB 0.007 32.544 32.500 0.062 0.000 0.755 122 K HN 0.211 nan 8.250 nan 0.000 0.465 123 E N 1.051 121.279 120.200 0.047 0.000 2.112 123 E HA -0.047 4.299 4.350 -0.007 0.000 0.190 123 E C 2.154 178.758 176.600 0.006 0.000 0.979 123 E CA 0.518 56.924 56.400 0.010 0.000 0.814 123 E CB -0.072 29.640 29.700 0.019 0.000 0.762 123 E HN 0.238 nan 8.360 nan 0.000 0.460 124 L N 0.838 122.083 121.223 0.038 0.000 2.131 124 L HA -0.214 4.122 4.340 -0.007 0.000 0.210 124 L C 2.724 179.613 176.870 0.033 0.000 1.092 124 L CA 1.085 55.934 54.840 0.015 0.000 0.759 124 L CB -0.337 41.751 42.059 0.049 0.000 0.903 124 L HN 0.135 nan 8.230 nan 0.000 0.435 125 Q N -0.025 119.815 119.800 0.068 0.000 2.181 125 Q HA -0.233 4.103 4.340 -0.007 0.000 0.205 125 Q C 2.171 178.226 176.000 0.092 0.000 0.980 125 Q CA 1.398 57.253 55.803 0.086 0.000 0.862 125 Q CB 0.056 28.846 28.738 0.088 0.000 0.905 125 Q HN 0.485 nan 8.270 nan 0.000 0.429 126 Q N -0.955 118.893 119.800 0.080 0.000 2.364 126 Q HA -0.076 4.260 4.340 -0.007 0.000 0.207 126 Q C 1.066 177.192 176.000 0.210 0.000 0.970 126 Q CA 1.554 57.446 55.803 0.148 0.000 0.888 126 Q CB 0.289 29.046 28.738 0.031 0.000 0.951 126 Q HN 0.511 nan 8.270 nan 0.000 0.469 127 T N -3.540 111.070 114.554 0.093 0.000 3.132 127 T HA 0.178 4.524 4.350 -0.007 0.000 0.274 127 T C 0.371 175.075 174.700 0.007 0.000 1.011 127 T CA -0.376 61.754 62.100 0.050 0.000 0.899 127 T CB 0.551 69.393 68.868 -0.042 0.000 1.089 127 T HN -0.176 nan 8.240 nan 0.000 0.543 128 T N 2.119 116.695 114.554 0.037 0.000 2.797 128 T HA 0.661 5.007 4.350 -0.007 0.000 0.279 128 T C -0.856 173.888 174.700 0.074 0.000 0.991 128 T CA -0.476 61.649 62.100 0.042 0.000 0.979 128 T CB 1.848 70.765 68.868 0.082 0.000 0.943 128 T HN 0.129 nan 8.240 nan 0.000 0.444 129 V N 4.315 124.275 119.914 0.076 0.000 2.577 129 V HA 0.429 4.545 4.120 -0.007 0.000 0.303 129 V C 0.382 176.523 176.094 0.079 0.000 1.042 129 V CA -1.126 61.218 62.300 0.074 0.000 0.872 129 V CB 1.600 33.463 31.823 0.068 0.000 0.998 129 V HN 1.011 nan 8.190 nan 0.000 0.423 130 N N 3.514 122.257 118.700 0.073 0.000 2.721 130 N HA -0.229 4.507 4.740 -0.007 0.000 0.249 130 N C 1.184 176.744 175.510 0.084 0.000 1.072 130 N CA 1.424 54.514 53.050 0.067 0.000 0.710 130 N CB -0.657 37.861 38.487 0.052 0.000 0.993 130 N HN 1.626 nan 8.380 nan 0.000 0.547 131 G N -1.104 107.766 108.800 0.117 0.000 2.159 131 G HA2 -0.337 3.619 3.960 -0.007 0.000 0.256 131 G HA3 -0.337 3.619 3.960 -0.007 0.000 0.256 131 G C -0.021 175.043 174.900 0.273 0.000 0.977 131 G CA 0.922 46.121 45.100 0.165 0.000 0.652 131 G HN 0.489 nan 8.290 nan 0.000 0.531 132 K N -0.280 120.237 120.400 0.195 0.000 2.274 132 K HA 0.637 4.953 4.320 -0.007 0.000 0.262 132 K C -0.345 176.262 176.600 0.011 0.000 0.961 132 K CA -1.008 55.370 56.287 0.153 0.000 0.833 132 K CB 2.055 34.604 32.500 0.083 0.000 1.102 132 K HN 0.086 nan 8.250 nan 0.000 0.436 133 L N 3.684 124.761 121.223 -0.243 0.000 2.325 133 L HA 0.173 4.509 4.340 -0.007 0.000 0.284 133 L C 0.282 177.032 176.870 -0.200 0.000 1.089 133 L CA 0.697 55.273 54.840 -0.440 0.000 0.836 133 L CB 0.006 41.370 42.059 -1.158 0.000 1.184 133 L HN 0.680 nan 8.230 nan 0.000 0.444 134 N N 3.018 121.661 118.700 -0.096 0.000 2.356 134 N HA 0.205 4.941 4.740 -0.007 0.000 0.178 134 N C 0.316 175.755 175.510 -0.119 0.000 1.075 134 N CA 0.567 53.621 53.050 0.006 0.000 0.889 134 N CB 0.883 39.450 38.487 0.132 0.000 0.999 134 N HN 0.718 nan 8.380 nan 0.000 0.464 135 G N 0.402 109.098 108.800 -0.173 0.000 2.632 135 G HA2 0.407 4.363 3.960 -0.007 0.000 0.292 135 G HA3 0.407 4.363 3.960 -0.007 0.000 0.292 135 G C -1.586 173.156 174.900 -0.263 0.000 1.465 135 G CA -0.507 44.455 45.100 -0.229 0.000 0.824 135 G HN -0.107 nan 8.290 nan 0.000 0.509 136 I N 2.314 122.690 120.570 -0.323 0.000 2.304 136 I HA 0.326 4.492 4.170 -0.007 0.000 0.291 136 I C -2.081 173.810 176.117 -0.377 0.000 1.018 136 I CA -3.126 57.884 61.300 -0.484 0.000 1.260 136 I CB 1.100 38.681 38.000 -0.698 0.000 1.390 136 I HN 0.156 nan 8.210 nan 0.000 0.475 137 P HA 0.272 nan 4.420 nan 0.000 0.276 137 P C 0.829 178.021 177.300 -0.181 0.000 1.235 137 P CA -0.074 62.897 63.100 -0.216 0.000 0.772 137 P CB 1.492 33.089 31.700 -0.171 0.000 0.871 138 I N 1.063 121.532 120.570 -0.169 0.000 2.400 138 I HA -0.064 4.102 4.170 -0.007 0.000 0.248 138 I C 1.215 177.287 176.117 -0.076 0.000 1.109 138 I CA 1.176 62.406 61.300 -0.117 0.000 1.425 138 I CB -0.161 37.735 38.000 -0.174 0.000 1.094 138 I HN 0.451 nan 8.210 nan 0.000 0.425 139 S N -0.141 115.484 115.700 -0.124 0.000 2.625 139 S HA 0.610 5.076 4.470 -0.007 0.000 0.271 139 S C -0.645 173.854 174.600 -0.168 0.000 1.161 139 S CA -0.928 57.206 58.200 -0.109 0.000 0.820 139 S CB 1.947 65.084 63.200 -0.105 0.000 1.137 139 S HN 0.020 nan 8.310 nan 0.000 0.470 140 V N -1.544 118.288 119.914 -0.138 0.000 2.850 140 V HA 0.988 5.104 4.120 -0.007 0.000 0.315 140 V C -0.128 175.906 176.094 -0.101 0.000 1.064 140 V CA -0.180 61.986 62.300 -0.223 0.000 0.979 140 V CB 1.227 32.895 31.823 -0.258 0.000 1.039 140 V HN 1.231 nan 8.190 nan 0.000 0.452 141 T N 1.035 115.518 114.554 -0.118 0.000 2.840 141 T HA 0.789 5.135 4.350 -0.007 0.000 0.317 141 T C -0.981 173.877 174.700 0.264 0.000 1.401 141 T CA 0.227 62.365 62.100 0.064 0.000 1.028 141 T CB 1.621 70.461 68.868 -0.046 0.000 1.317 141 T HN 1.850 nan 8.240 nan 0.000 0.495 142 A N 2.462 125.476 122.820 0.324 0.000 2.515 142 A HA 0.835 5.151 4.320 -0.007 0.000 0.296 142 A C -0.703 176.896 177.584 0.025 0.000 1.094 142 A CA -0.846 51.371 52.037 0.300 0.000 0.718 142 A CB 1.416 20.500 19.000 0.140 0.000 1.307 142 A HN 0.825 nan 8.150 nan 0.000 0.408 143 R N 0.979 121.197 120.500 -0.471 0.000 2.401 143 R HA 0.375 4.711 4.340 -0.007 0.000 0.299 143 R C -0.120 175.689 176.300 -0.819 0.000 1.064 143 R CA 0.273 55.735 56.100 -1.063 0.000 1.000 143 R CB 0.139 29.407 30.300 -1.721 0.000 0.973 143 R HN 0.686 nan 8.270 nan 0.000 0.438 144 I N -0.874 119.282 120.570 -0.691 0.000 3.264 144 I HA 0.478 4.644 4.170 -0.007 0.000 0.315 144 I C -0.928 174.798 176.117 -0.652 0.000 1.154 144 I CA -1.144 59.874 61.300 -0.471 0.000 0.962 144 I CB 1.423 39.267 38.000 -0.259 0.000 1.265 144 I HN 0.261 nan 8.210 nan 0.000 0.463 145 F N 1.933 121.587 119.950 -0.493 0.000 2.404 145 F HA 0.540 5.063 4.527 -0.006 0.000 0.345 145 F C -0.691 174.481 175.800 -1.048 0.000 1.110 145 F CA 0.148 57.734 58.000 -0.690 0.000 1.130 145 F CB 0.911 39.497 39.000 -0.689 0.000 1.129 145 F HN 0.236 nan 8.300 nan 0.000 0.500 146 Y N 3.104 123.013 120.300 -0.651 0.000 2.406 146 Y HA 0.562 5.108 4.550 -0.007 0.000 0.340 146 Y C -0.975 174.565 175.900 -0.599 0.000 0.975 146 Y CA -1.137 56.650 58.100 -0.522 0.000 1.056 146 Y CB 1.501 39.832 38.460 -0.215 0.000 1.210 146 Y HN 0.322 nan 8.280 nan 0.000 0.448 147 F N 1.252 121.168 119.950 -0.056 0.000 2.546 147 F HA 0.327 4.850 4.527 -0.007 0.000 0.320 147 F C 0.166 176.017 175.800 0.084 0.000 1.076 147 F CA -1.432 56.512 58.000 -0.093 0.000 0.928 147 F CB 1.240 39.741 39.000 -0.832 0.000 1.189 147 F HN 0.400 nan 8.300 nan 0.000 0.465 148 N N 2.446 121.458 118.700 0.520 0.000 2.416 148 N HA -0.047 4.689 4.740 -0.007 0.000 0.271 148 N C 0.694 176.517 175.510 0.523 0.000 1.245 148 N CA 0.138 53.427 53.050 0.398 0.000 0.940 148 N CB 0.550 39.234 38.487 0.328 0.000 1.175 148 N HN 0.688 nan 8.380 nan 0.000 0.483 149 D N 3.508 124.132 120.400 0.373 0.000 2.178 149 D HA -0.151 4.485 4.640 -0.007 0.000 0.201 149 D C 1.481 177.991 176.300 0.350 0.000 0.980 149 D CA 1.223 55.475 54.000 0.420 0.000 0.842 149 D CB -0.388 40.603 40.800 0.318 0.000 0.948 149 D HN 0.419 nan 8.370 nan 0.000 0.472 150 A N 0.531 123.505 122.820 0.257 0.000 1.865 150 A HA -0.173 4.143 4.320 -0.007 0.000 0.217 150 A C 2.396 180.091 177.584 0.185 0.000 1.191 150 A CA 2.625 54.770 52.037 0.181 0.000 0.623 150 A CB -1.226 17.852 19.000 0.129 0.000 0.826 150 A HN 0.346 nan 8.150 nan 0.000 0.444 151 T N -1.740 112.971 114.554 0.260 0.000 2.777 151 T HA -0.169 4.177 4.350 -0.007 0.000 0.266 151 T C 1.533 176.271 174.700 0.064 0.000 1.040 151 T CA 1.339 63.556 62.100 0.194 0.000 1.141 151 T CB -0.363 68.713 68.868 0.347 0.000 0.868 151 T HN 0.668 nan 8.240 nan 0.000 0.444 152 W N 1.765 123.200 121.300 0.226 0.000 2.358 152 W HA 0.083 4.739 4.660 -0.007 0.000 0.303 152 W C 2.888 179.394 176.519 -0.023 0.000 1.208 152 W CA 0.740 58.190 57.345 0.175 0.000 1.274 152 W CB -0.861 28.813 29.460 0.356 0.000 1.138 152 W HN 0.229 nan 8.180 nan 0.000 0.515 153 A N 0.602 123.537 122.820 0.193 0.000 1.892 153 A HA -0.290 4.026 4.320 -0.007 0.000 0.218 153 A C 1.891 179.445 177.584 -0.050 0.000 1.188 153 A CA 2.313 54.379 52.037 0.048 0.000 0.631 153 A CB -0.792 18.249 19.000 0.069 0.000 0.822 153 A HN 0.358 nan 8.150 nan 0.000 0.447 154 K N -0.626 119.719 120.400 -0.091 0.000 2.209 154 K HA 0.014 4.330 4.320 -0.007 0.000 0.204 154 K C 2.003 178.417 176.600 -0.309 0.000 1.048 154 K CA 1.013 57.186 56.287 -0.189 0.000 0.940 154 K CB -0.220 32.153 32.500 -0.211 0.000 0.729 154 K HN 0.470 nan 8.250 nan 0.000 0.451 155 A N 0.288 122.857 122.820 -0.418 0.000 2.132 155 A HA 0.186 4.502 4.320 -0.007 0.000 0.213 155 A C 1.446 178.840 177.584 -0.317 0.000 1.154 155 A CA 0.753 52.452 52.037 -0.564 0.000 0.753 155 A CB -0.207 18.125 19.000 -1.113 0.000 0.826 155 A HN 0.360 nan 8.150 nan 0.000 0.469 156 G N -1.058 107.627 108.800 -0.192 0.000 2.176 156 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.252 156 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.252 156 G C -0.026 174.828 174.900 -0.077 0.000 1.024 156 G CA 0.526 45.557 45.100 -0.115 0.000 0.755 156 G HN 0.455 nan 8.290 nan 0.000 0.507 157 L N 0.316 121.524 121.223 -0.025 0.000 2.334 157 L HA 0.542 4.878 4.340 -0.007 0.000 0.272 157 L C 0.957 177.872 176.870 0.075 0.000 1.020 157 L CA -1.113 53.773 54.840 0.076 0.000 0.812 157 L CB 1.206 43.386 42.059 0.202 0.000 1.264 157 L HN 0.481 nan 8.230 nan 0.000 0.439 158 E N 1.335 121.519 120.200 -0.026 0.000 2.319 158 E HA 0.217 4.563 4.350 -0.007 0.000 0.268 158 E C -1.385 175.077 176.600 -0.230 0.000 1.050 158 E CA -0.768 55.495 56.400 -0.229 0.000 0.878 158 E CB 0.548 30.132 29.700 -0.193 0.000 1.066 158 E HN 0.243 nan 8.360 nan 0.000 0.406 159 Y N 0.699 120.772 120.300 -0.377 0.000 2.597 159 Y HA 0.101 4.647 4.550 -0.007 0.000 0.336 159 Y C -1.891 173.725 175.900 -0.474 0.000 1.216 159 Y CA -2.262 55.324 58.100 -0.858 0.000 1.463 159 Y CB -0.557 37.425 38.460 -0.798 0.000 1.303 159 Y HN 0.397 nan 8.280 nan 0.000 0.576 160 P HA 0.087 nan 4.420 nan 0.000 0.268 160 P C -0.144 177.026 177.300 -0.215 0.000 1.204 160 P CA -0.013 62.957 63.100 -0.216 0.000 0.768 160 P CB 0.690 32.236 31.700 -0.256 0.000 0.842 161 K N 0.145 120.450 120.400 -0.157 0.000 2.354 161 K HA 0.118 4.434 4.320 -0.007 0.000 0.194 161 K C 0.702 177.198 176.600 -0.173 0.000 1.038 161 K CA 0.447 56.651 56.287 -0.139 0.000 1.052 161 K CB 0.413 32.867 32.500 -0.078 0.000 0.861 161 K HN 0.598 nan 8.250 nan 0.000 0.535 162 T N -4.260 110.184 114.554 -0.183 0.000 2.883 162 T HA 0.201 4.547 4.350 -0.007 0.000 0.296 162 T C 0.143 174.736 174.700 -0.177 0.000 1.117 162 T CA -0.930 61.077 62.100 -0.155 0.000 1.006 162 T CB 0.718 69.582 68.868 -0.006 0.000 1.191 162 T HN 0.155 nan 8.240 nan 0.000 0.508 163 W N 0.613 121.901 121.300 -0.021 0.000 2.342 163 W HA -0.012 4.644 4.660 -0.007 0.000 0.297 163 W C 1.844 178.338 176.519 -0.041 0.000 1.213 163 W CA 1.073 58.405 57.345 -0.022 0.000 1.251 163 W CB -0.277 29.241 29.460 0.097 0.000 1.136 163 W HN 0.733 nan 8.180 nan 0.000 0.526 164 D N 0.160 120.679 120.400 0.199 0.000 2.097 164 D HA -0.163 4.473 4.640 -0.007 0.000 0.195 164 D C 1.830 178.161 176.300 0.052 0.000 0.989 164 D CA 1.498 55.559 54.000 0.103 0.000 0.827 164 D CB -0.567 40.282 40.800 0.080 0.000 0.966 164 D HN 0.298 nan 8.370 nan 0.000 0.456 165 E N 0.244 120.457 120.200 0.022 0.000 2.097 165 E HA -0.196 4.150 4.350 -0.007 0.000 0.196 165 E C 2.097 178.699 176.600 0.002 0.000 1.000 165 E CA 0.414 56.815 56.400 0.002 0.000 0.804 165 E CB -0.147 29.534 29.700 -0.031 0.000 0.740 165 E HN 0.100 nan 8.360 nan 0.000 0.454 166 L N 0.954 122.149 121.223 -0.047 0.000 1.971 166 L HA -0.230 4.106 4.340 -0.007 0.000 0.215 166 L C 2.169 179.053 176.870 0.023 0.000 1.072 166 L CA 1.725 56.533 54.840 -0.052 0.000 0.758 166 L CB -0.638 41.339 42.059 -0.136 0.000 0.889 166 L HN 0.083 nan 8.230 nan 0.000 0.433 167 L N -0.259 120.988 121.223 0.040 0.000 2.131 167 L HA -0.089 4.247 4.340 -0.007 0.000 0.210 167 L C 2.489 179.376 176.870 0.028 0.000 1.092 167 L CA 1.786 56.645 54.840 0.030 0.000 0.759 167 L CB -1.122 40.950 42.059 0.021 0.000 0.903 167 L HN 0.394 nan 8.230 nan 0.000 0.435 168 A N -1.230 121.610 122.820 0.032 0.000 2.206 168 A HA 0.177 4.493 4.320 -0.007 0.000 0.211 168 A C 2.340 179.951 177.584 0.044 0.000 1.158 168 A CA 1.001 53.056 52.037 0.030 0.000 0.761 168 A CB -0.546 18.469 19.000 0.025 0.000 0.801 168 A HN 0.327 nan 8.150 nan 0.000 0.473 169 A N -0.566 122.291 122.820 0.062 0.000 2.072 169 A HA 0.302 4.618 4.320 -0.007 0.000 0.216 169 A C 2.187 179.821 177.584 0.084 0.000 1.156 169 A CA 1.289 53.381 52.037 0.093 0.000 0.701 169 A CB -0.829 18.261 19.000 0.151 0.000 0.816 169 A HN 0.564 nan 8.150 nan 0.000 0.458 170 G N 0.225 109.055 108.800 0.050 0.000 2.404 170 G HA2 -0.259 3.697 3.960 -0.007 0.000 0.215 170 G HA3 -0.259 3.697 3.960 -0.007 0.000 0.215 170 G C 1.614 176.571 174.900 0.095 0.000 1.174 170 G CA 1.142 46.300 45.100 0.098 0.000 0.780 170 G HN 0.553 nan 8.290 nan 0.000 0.537 171 K N 0.080 120.498 120.400 0.029 0.000 2.044 171 K HA -0.117 4.199 4.320 -0.007 0.000 0.210 171 K C 2.534 179.104 176.600 -0.051 0.000 1.049 171 K CA 1.666 57.930 56.287 -0.038 0.000 0.927 171 K CB -0.303 32.183 32.500 -0.023 0.000 0.713 171 K HN 0.196 nan 8.250 nan 0.000 0.443 172 V N 0.772 120.683 119.914 -0.004 0.000 2.343 172 V HA -0.218 3.898 4.120 -0.007 0.000 0.247 172 V C 2.105 178.147 176.094 -0.088 0.000 1.051 172 V CA 1.702 63.975 62.300 -0.045 0.000 1.036 172 V CB -0.590 31.217 31.823 -0.028 0.000 0.654 172 V HN 0.240 nan 8.190 nan 0.000 0.451 173 F N 0.935 120.766 119.950 -0.197 0.000 2.102 173 F HA -0.176 4.347 4.527 -0.007 0.000 0.298 173 F C 2.488 178.166 175.800 -0.203 0.000 1.105 173 F CA 2.283 60.161 58.000 -0.202 0.000 1.239 173 F CB -0.440 38.480 39.000 -0.133 0.000 0.991 173 F HN 0.109 nan 8.300 nan 0.000 0.474 174 K N 0.350 120.672 120.400 -0.130 0.000 2.103 174 K HA -0.158 4.158 4.320 -0.007 0.000 0.204 174 K C 1.773 178.238 176.600 -0.225 0.000 1.052 174 K CA 1.799 57.864 56.287 -0.370 0.000 0.945 174 K CB -0.213 31.770 32.500 -0.861 0.000 0.722 174 K HN 0.272 nan 8.250 nan 0.000 0.443 175 E N 0.519 120.608 120.200 -0.185 0.000 2.051 175 E HA -0.133 4.213 4.350 -0.007 0.000 0.189 175 E C 2.000 178.506 176.600 -0.156 0.000 0.979 175 E CA 1.041 57.353 56.400 -0.147 0.000 0.803 175 E CB 0.081 29.710 29.700 -0.119 0.000 0.761 175 E HN 0.250 nan 8.360 nan 0.000 0.451 176 K N 0.620 120.902 120.400 -0.197 0.000 2.097 176 K HA -0.077 4.239 4.320 -0.007 0.000 0.205 176 K C 1.665 178.089 176.600 -0.293 0.000 1.050 176 K CA 1.034 57.177 56.287 -0.240 0.000 0.938 176 K CB 0.216 32.543 32.500 -0.288 0.000 0.718 176 K HN 0.058 nan 8.250 nan 0.000 0.442 177 L N -1.532 119.482 121.223 -0.348 0.000 2.609 177 L HA 0.392 4.728 4.340 -0.007 0.000 0.230 177 L C 0.542 177.306 176.870 -0.175 0.000 1.064 177 L CA -0.062 54.492 54.840 -0.476 0.000 0.873 177 L CB 1.047 42.489 42.059 -1.028 0.000 1.139 177 L HN 0.328 nan 8.230 nan 0.000 0.490 178 G N -0.284 108.502 108.800 -0.023 0.000 2.348 178 G HA2 -0.116 3.840 3.960 -0.007 0.000 0.606 178 G HA3 -0.116 3.840 3.960 -0.007 0.000 0.606 178 G C -0.802 174.161 174.900 0.105 0.000 1.466 178 G CA -0.502 44.658 45.100 0.101 0.000 0.950 178 G HN -0.089 nan 8.290 nan 0.000 0.657 179 D N 0.090 120.512 120.400 0.036 0.000 2.220 179 D HA -0.185 4.451 4.640 -0.007 0.000 0.198 179 D C 2.614 179.021 176.300 0.177 0.000 1.001 179 D CA 1.960 55.977 54.000 0.028 0.000 0.875 179 D CB 0.220 41.067 40.800 0.079 0.000 0.921 179 D HN 0.655 nan 8.370 nan 0.000 0.454 180 Q N -0.303 119.654 119.800 0.261 0.000 2.311 180 Q HA -0.140 4.196 4.340 -0.007 0.000 0.203 180 Q C 0.011 176.209 176.000 0.331 0.000 0.954 180 Q CA 0.484 56.500 55.803 0.354 0.000 0.885 180 Q CB -0.356 28.532 28.738 0.250 0.000 0.963 180 Q HN 0.337 nan 8.270 nan 0.000 0.471 181 Y N 0.596 121.061 120.300 0.275 0.000 2.316 181 Y HA 0.349 4.895 4.550 -0.006 0.000 0.331 181 Y C -0.553 175.504 175.900 0.262 0.000 1.083 181 Y CA -0.610 57.714 58.100 0.373 0.000 1.206 181 Y CB 0.676 39.310 38.460 0.290 0.000 1.195 181 Y HN -0.061 nan 8.280 nan 0.000 0.497 182 Y N 3.583 124.177 120.300 0.490 0.000 2.462 182 Y HA 0.287 4.833 4.550 -0.006 0.000 0.346 182 Y C -1.762 173.939 175.900 -0.332 0.000 0.976 182 Y CA -2.576 55.573 58.100 0.082 0.000 1.044 182 Y CB 1.719 40.146 38.460 -0.056 0.000 1.230 182 Y HN 0.411 nan 8.280 nan 0.000 0.455 183 P HA -0.178 nan 4.420 nan 0.000 0.216 183 P C -0.383 177.057 177.300 0.233 0.000 1.153 183 P CA 1.634 64.314 63.100 -0.699 0.000 0.858 183 P CB 0.213 31.707 31.700 -0.343 0.000 0.789 184 V N -6.234 113.833 119.914 0.255 0.000 3.188 184 V HA 0.597 4.713 4.120 -0.007 0.000 0.305 184 V C -0.896 175.303 176.094 0.175 0.000 1.232 184 V CA -1.336 61.176 62.300 0.352 0.000 1.043 184 V CB 2.162 34.198 31.823 0.355 0.000 1.068 184 V HN -0.223 nan 8.190 nan 0.000 0.439 185 V N 3.236 123.266 119.914 0.194 0.000 2.483 185 V HA 0.712 4.828 4.120 -0.007 0.000 0.295 185 V C -0.766 175.319 176.094 -0.015 0.000 1.035 185 V CA -0.522 61.735 62.300 -0.071 0.000 0.896 185 V CB 1.325 33.145 31.823 -0.005 0.000 0.986 185 V HN 0.835 nan 8.190 nan 0.000 0.447 186 L N 6.473 127.643 121.223 -0.089 0.000 2.349 186 L HA 0.591 4.927 4.340 -0.007 0.000 0.278 186 L C 0.081 176.883 176.870 -0.114 0.000 0.996 186 L CA -0.462 54.349 54.840 -0.049 0.000 0.825 186 L CB 1.836 43.903 42.059 0.014 0.000 1.243 186 L HN 0.643 nan 8.230 nan 0.000 0.412 187 E N 1.984 122.117 120.200 -0.112 0.000 2.374 187 E HA 0.045 4.391 4.350 -0.007 0.000 0.260 187 E C 0.719 177.282 176.600 -0.061 0.000 1.101 187 E CA -0.417 55.876 56.400 -0.178 0.000 0.907 187 E CB 0.871 30.494 29.700 -0.129 0.000 1.014 187 E HN 0.610 nan 8.360 nan 0.000 0.427 188 H N 1.713 120.783 119.070 0.000 0.000 2.390 188 H HA -0.250 4.302 4.556 -0.007 0.000 0.298 188 H C 1.680 177.189 175.328 0.302 0.000 1.106 188 H CA 1.791 57.949 56.048 0.184 0.000 1.297 188 H CB 0.030 29.871 29.762 0.132 0.000 1.375 188 H HN 0.601 nan 8.280 nan 0.000 0.509 189 Q N 1.024 120.724 119.800 -0.167 0.000 2.167 189 Q HA -0.129 4.207 4.340 -0.007 0.000 0.202 189 Q C 1.336 177.375 176.000 0.065 0.000 0.970 189 Q CA 1.582 57.384 55.803 -0.002 0.000 0.855 189 Q CB 0.192 28.905 28.738 -0.042 0.000 0.911 189 Q HN 0.450 nan 8.270 nan 0.000 0.438 190 D N -0.316 120.100 120.400 0.027 0.000 2.084 190 D HA -0.129 4.507 4.640 -0.007 0.000 0.194 190 D C 1.843 178.219 176.300 0.126 0.000 0.990 190 D CA 1.847 55.883 54.000 0.060 0.000 0.826 190 D CB -0.649 40.151 40.800 0.001 0.000 0.971 190 D HN 0.213 nan 8.370 nan 0.000 0.453 191 T N 1.413 116.044 114.554 0.128 0.000 2.759 191 T HA -0.142 4.204 4.350 -0.007 0.000 0.269 191 T C 1.885 176.618 174.700 0.054 0.000 1.042 191 T CA 0.568 62.764 62.100 0.160 0.000 1.140 191 T CB -0.365 68.718 68.868 0.359 0.000 0.864 191 T HN 0.010 nan 8.240 nan 0.000 0.455 192 L N 1.639 122.793 121.223 -0.115 0.000 1.970 192 L HA -0.017 4.319 4.340 -0.007 0.000 0.212 192 L C 2.674 179.685 176.870 0.235 0.000 1.071 192 L CA 2.158 56.768 54.840 -0.384 0.000 0.751 192 L CB -1.258 40.442 42.059 -0.598 0.000 0.889 192 L HN 0.234 nan 8.230 nan 0.000 0.432 193 A N -0.611 122.431 122.820 0.370 0.000 1.892 193 A HA -0.266 4.050 4.320 -0.007 0.000 0.218 193 A C 2.394 180.203 177.584 0.375 0.000 1.188 193 A CA 2.269 54.638 52.037 0.554 0.000 0.631 193 A CB -1.154 18.196 19.000 0.583 0.000 0.822 193 A HN 0.574 nan 8.150 nan 0.000 0.447 194 L N -0.348 120.954 121.223 0.132 0.000 1.989 194 L HA -0.191 4.145 4.340 -0.007 0.000 0.211 194 L C 2.429 179.275 176.870 -0.041 0.000 1.071 194 L CA 2.038 56.775 54.840 -0.172 0.000 0.749 194 L CB -0.269 41.531 42.059 -0.432 0.000 0.890 194 L HN 0.482 nan 8.230 nan 0.000 0.431 195 I N -0.774 119.671 120.570 -0.209 0.000 2.315 195 I HA -0.275 3.891 4.170 -0.007 0.000 0.248 195 I C 2.732 178.619 176.117 -0.383 0.000 1.117 195 I CA 1.143 62.109 61.300 -0.556 0.000 1.404 195 I CB -0.561 36.731 38.000 -1.179 0.000 1.071 195 I HN 0.325 nan 8.210 nan 0.000 0.419 196 R N 0.926 121.434 120.500 0.012 0.000 2.091 196 R HA -0.221 4.115 4.340 -0.007 0.000 0.238 196 R C 2.449 178.824 176.300 0.125 0.000 1.136 196 R CA 2.067 58.319 56.100 0.253 0.000 0.959 196 R CB -0.326 30.088 30.300 0.191 0.000 0.856 196 R HN 0.254 nan 8.270 nan 0.000 0.437 197 S N -0.321 115.483 115.700 0.174 0.000 2.353 197 S HA -0.243 4.223 4.470 -0.007 0.000 0.222 197 S C 1.787 176.493 174.600 0.177 0.000 1.035 197 S CA 1.482 59.847 58.200 0.275 0.000 1.025 197 S CB -0.587 62.939 63.200 0.544 0.000 0.902 197 S HN 0.582 nan 8.310 nan 0.000 0.440 198 Y N 1.703 121.901 120.300 -0.170 0.000 2.102 198 Y HA -0.204 4.342 4.550 -0.007 0.000 0.280 198 Y C 2.283 177.963 175.900 -0.367 0.000 1.178 198 Y CA 2.360 60.081 58.100 -0.633 0.000 1.146 198 Y CB -0.315 37.441 38.460 -1.174 0.000 0.968 198 Y HN 0.269 nan 8.280 nan 0.000 0.504 199 M N -0.842 118.638 119.600 -0.200 0.000 2.229 199 M HA -0.154 4.322 4.480 -0.007 0.000 0.264 199 M C 1.949 178.204 176.300 -0.076 0.000 1.063 199 M CA 1.756 56.967 55.300 -0.149 0.000 1.114 199 M CB -1.421 31.087 32.600 -0.154 0.000 1.387 199 M HN 0.263 nan 8.290 nan 0.000 0.420 200 T N 0.641 115.182 114.554 -0.022 0.000 2.701 200 T HA -0.134 4.212 4.350 -0.007 0.000 0.263 200 T C 1.921 176.594 174.700 -0.045 0.000 1.040 200 T CA 1.153 63.267 62.100 0.024 0.000 1.147 200 T CB -0.220 68.682 68.868 0.057 0.000 0.865 200 T HN 0.422 nan 8.240 nan 0.000 0.426 201 Q N 0.869 120.621 119.800 -0.080 0.000 2.062 201 Q HA -0.242 4.094 4.340 -0.007 0.000 0.209 201 Q C 2.392 178.232 176.000 -0.267 0.000 0.996 201 Q CA 1.813 57.545 55.803 -0.118 0.000 0.859 201 Q CB -0.253 28.450 28.738 -0.058 0.000 0.920 201 Q HN 0.417 nan 8.270 nan 0.000 0.415 202 K N -0.232 119.865 120.400 -0.504 0.000 2.002 202 K HA -0.173 4.143 4.320 -0.007 0.000 0.209 202 K C 1.379 177.582 176.600 -0.662 0.000 1.048 202 K CA 1.597 57.462 56.287 -0.703 0.000 0.930 202 K CB 0.021 31.879 32.500 -1.070 0.000 0.714 202 K HN 0.191 nan 8.250 nan 0.000 0.438 203 Y N -0.676 119.522 120.300 -0.171 0.000 2.444 203 Y HA 0.212 4.758 4.550 -0.007 0.000 0.249 203 Y C 0.272 176.140 175.900 -0.054 0.000 1.134 203 Y CA -0.301 57.735 58.100 -0.107 0.000 1.261 203 Y CB 0.277 38.665 38.460 -0.120 0.000 1.143 203 Y HN 0.145 nan 8.280 nan 0.000 0.523 204 N N 1.375 120.109 118.700 0.057 0.000 2.716 204 N HA -0.216 4.520 4.740 -0.007 0.000 0.250 204 N C -0.797 174.761 175.510 0.080 0.000 1.033 204 N CA 0.963 54.043 53.050 0.050 0.000 0.727 204 N CB -1.374 37.124 38.487 0.018 0.000 0.950 204 N HN 0.626 nan 8.380 nan 0.000 0.541 205 I N -3.853 116.788 120.570 0.118 0.000 2.740 205 I HA 0.766 4.932 4.170 -0.007 0.000 0.303 205 I C -2.226 173.959 176.117 0.115 0.000 1.044 205 I CA -2.477 58.891 61.300 0.113 0.000 1.064 205 I CB 1.960 40.034 38.000 0.125 0.000 1.249 205 I HN -0.229 nan 8.210 nan 0.000 0.433 206 P HA 0.161 nan 4.420 nan 0.000 0.269 206 P C 0.317 177.620 177.300 0.005 0.000 1.215 206 P CA -0.174 62.951 63.100 0.040 0.000 0.780 206 P CB 0.600 32.324 31.700 0.041 0.000 0.898 207 T N 0.650 115.155 114.554 -0.081 0.000 2.904 207 T HA 0.057 4.403 4.350 -0.007 0.000 0.267 207 T C 0.941 175.624 174.700 -0.028 0.000 1.059 207 T CA 1.010 62.950 62.100 -0.267 0.000 1.137 207 T CB -0.243 68.478 68.868 -0.245 0.000 0.879 207 T HN 0.280 nan 8.240 nan 0.000 0.467 208 I N 1.692 122.305 120.570 0.073 0.000 2.404 208 I HA 0.248 4.414 4.170 -0.007 0.000 0.293 208 I C -0.652 175.484 176.117 0.032 0.000 0.992 208 I CA -0.931 60.412 61.300 0.072 0.000 1.149 208 I CB 1.807 39.844 38.000 0.062 0.000 1.315 208 I HN -0.067 nan 8.210 nan 0.000 0.446 209 D N 6.453 126.859 120.400 0.009 0.000 2.422 209 D HA 0.066 4.702 4.640 -0.007 0.000 0.227 209 D C 0.842 177.124 176.300 -0.030 0.000 1.190 209 D CA 0.210 54.212 54.000 0.004 0.000 0.905 209 D CB 0.806 41.613 40.800 0.012 0.000 1.034 209 D HN 0.512 nan 8.370 nan 0.000 0.507 210 E N 2.244 122.442 120.200 -0.005 0.000 2.106 210 E HA -0.156 4.190 4.350 -0.007 0.000 0.192 210 E C 1.786 178.359 176.600 -0.044 0.000 0.984 210 E CA 0.812 57.200 56.400 -0.020 0.000 0.806 210 E CB 0.182 29.917 29.700 0.058 0.000 0.750 210 E HN 0.635 nan 8.360 nan 0.000 0.458 211 A N 1.780 124.590 122.820 -0.018 0.000 1.873 211 A HA -0.237 4.079 4.320 -0.007 0.000 0.218 211 A C 1.686 179.246 177.584 -0.041 0.000 1.193 211 A CA 1.956 53.981 52.037 -0.021 0.000 0.629 211 A CB -0.638 18.359 19.000 -0.004 0.000 0.826 211 A HN 0.198 nan 8.150 nan 0.000 0.447 212 N N -0.732 117.943 118.700 -0.043 0.000 2.322 212 N HA 0.130 4.866 4.740 -0.007 0.000 0.194 212 N C -0.563 174.896 175.510 -0.085 0.000 1.126 212 N CA 0.093 53.114 53.050 -0.049 0.000 0.845 212 N CB 0.014 38.486 38.487 -0.025 0.000 0.976 212 N HN 0.392 nan 8.380 nan 0.000 0.475 213 K N 0.526 120.850 120.400 -0.126 0.000 3.257 213 K HA -0.252 4.064 4.320 -0.007 0.000 0.270 213 K C -0.835 175.637 176.600 -0.214 0.000 0.984 213 K CA 0.744 56.910 56.287 -0.202 0.000 0.739 213 K CB -1.530 30.851 32.500 -0.197 0.000 1.351 213 K HN 0.474 nan 8.250 nan 0.000 0.463 214 K N -1.556 118.723 120.400 -0.202 0.000 2.617 214 K HA 0.408 4.724 4.320 -0.007 0.000 0.293 214 K C -0.977 175.521 176.600 -0.170 0.000 1.034 214 K CA -1.127 55.042 56.287 -0.195 0.000 0.884 214 K CB 0.703 33.163 32.500 -0.067 0.000 1.541 214 K HN -0.148 nan 8.250 nan 0.000 0.409 215 F N 0.745 120.724 119.950 0.048 0.000 2.459 215 F HA 0.319 4.842 4.527 -0.007 0.000 0.346 215 F C 1.475 177.317 175.800 0.070 0.000 1.128 215 F CA 0.474 58.537 58.000 0.105 0.000 1.268 215 F CB 1.473 40.676 39.000 0.338 0.000 1.161 215 F HN 0.853 nan 8.300 nan 0.000 0.583 216 A N 2.314 125.249 122.820 0.192 0.000 2.095 216 A HA 0.060 4.376 4.320 -0.007 0.000 0.212 216 A C 0.203 177.867 177.584 0.134 0.000 1.162 216 A CA 0.249 52.347 52.037 0.101 0.000 0.753 216 A CB -0.542 18.485 19.000 0.045 0.000 0.840 216 A HN 0.508 nan 8.150 nan 0.000 0.468 217 Y N 1.705 121.985 120.300 -0.032 0.000 2.578 217 Y HA 0.269 4.815 4.550 -0.007 0.000 0.339 217 Y C 1.482 177.325 175.900 -0.094 0.000 1.231 217 Y CA -0.740 57.182 58.100 -0.297 0.000 1.461 217 Y CB 0.139 38.005 38.460 -0.990 0.000 1.323 217 Y HN 0.305 nan 8.280 nan 0.000 0.590 218 S N 2.544 118.269 115.700 0.042 0.000 2.624 218 S HA 0.248 4.714 4.470 -0.007 0.000 0.263 218 S C -1.901 172.817 174.600 0.196 0.000 1.287 218 S CA -1.120 57.136 58.200 0.093 0.000 0.990 218 S CB 1.260 64.467 63.200 0.011 0.000 0.950 218 S HN 0.370 nan 8.310 nan 0.000 0.561 219 P HA -0.106 nan 4.420 nan 0.000 0.216 219 P C 1.423 178.861 177.300 0.230 0.000 1.153 219 P CA 1.286 64.546 63.100 0.266 0.000 0.858 219 P CB 0.018 31.822 31.700 0.173 0.000 0.789 220 E N -0.142 120.134 120.200 0.127 0.000 2.058 220 E HA -0.223 4.123 4.350 -0.007 0.000 0.194 220 E C 2.150 178.792 176.600 0.069 0.000 0.997 220 E CA 1.574 58.026 56.400 0.087 0.000 0.801 220 E CB -0.734 28.986 29.700 0.032 0.000 0.746 220 E HN 0.240 nan 8.360 nan 0.000 0.450 221 Q N -1.483 118.292 119.800 -0.043 0.000 2.119 221 Q HA -0.128 4.208 4.340 -0.007 0.000 0.201 221 Q C 1.921 177.872 176.000 -0.082 0.000 0.972 221 Q CA 1.451 57.119 55.803 -0.225 0.000 0.847 221 Q CB -0.249 28.166 28.738 -0.539 0.000 0.903 221 Q HN 0.440 nan 8.270 nan 0.000 0.433 222 W N -0.695 120.711 121.300 0.176 0.000 2.388 222 W HA -0.155 4.501 4.660 -0.006 0.000 0.294 222 W C 2.001 178.750 176.519 0.383 0.000 1.212 222 W CA 0.273 57.802 57.345 0.307 0.000 1.271 222 W CB 0.014 29.651 29.460 0.294 0.000 1.126 222 W HN -0.045 nan 8.180 nan 0.000 0.535 223 V N 0.271 120.464 119.914 0.466 0.000 2.343 223 V HA -0.324 3.792 4.120 -0.007 0.000 0.247 223 V C 2.044 178.337 176.094 0.332 0.000 1.051 223 V CA 2.285 64.801 62.300 0.361 0.000 1.036 223 V CB -0.861 31.096 31.823 0.225 0.000 0.654 223 V HN 0.234 nan 8.190 nan 0.000 0.451 224 E N -0.426 119.919 120.200 0.242 0.000 2.110 224 E HA -0.260 4.086 4.350 -0.007 0.000 0.193 224 E C 2.081 178.784 176.600 0.172 0.000 0.988 224 E CA 1.486 57.985 56.400 0.166 0.000 0.804 224 E CB -0.207 29.558 29.700 0.109 0.000 0.745 224 E HN 0.575 nan 8.360 nan 0.000 0.458 225 F N -0.090 119.907 119.950 0.079 0.000 2.046 225 F HA -0.216 4.307 4.527 -0.007 0.000 0.297 225 F C 1.764 177.565 175.800 0.002 0.000 1.123 225 F CA 1.792 59.794 58.000 0.004 0.000 1.199 225 F CB -0.243 38.800 39.000 0.072 0.000 0.972 225 F HN 0.034 nan 8.300 nan 0.000 0.474 226 F N -0.016 120.257 119.950 0.538 0.000 2.206 226 F HA -0.142 4.381 4.527 -0.007 0.000 0.298 226 F C 2.446 178.406 175.800 0.266 0.000 1.090 226 F CA 1.506 59.743 58.000 0.396 0.000 1.323 226 F CB -1.356 37.834 39.000 0.318 0.000 1.028 226 F HN -0.137 nan 8.300 nan 0.000 0.492 227 T N 0.708 115.472 114.554 0.351 0.000 2.653 227 T HA -0.382 3.964 4.350 -0.007 0.000 0.268 227 T C 2.021 176.772 174.700 0.085 0.000 1.035 227 T CA 2.036 64.248 62.100 0.186 0.000 1.154 227 T CB -0.515 68.432 68.868 0.132 0.000 0.862 227 T HN 0.314 nan 8.240 nan 0.000 0.441 228 M N -0.092 119.508 119.600 -0.000 0.000 2.117 228 M HA -0.145 4.331 4.480 -0.007 0.000 0.262 228 M C 2.152 178.404 176.300 -0.080 0.000 1.065 228 M CA 1.633 56.845 55.300 -0.146 0.000 1.114 228 M CB -0.359 32.014 32.600 -0.379 0.000 1.361 228 M HN 0.312 nan 8.290 nan 0.000 0.408 229 Y N 1.075 121.326 120.300 -0.083 0.000 2.102 229 Y HA -0.357 4.189 4.550 -0.006 0.000 0.280 229 Y C 2.250 178.163 175.900 0.021 0.000 1.178 229 Y CA 2.607 60.702 58.100 -0.009 0.000 1.146 229 Y CB -0.445 38.065 38.460 0.084 0.000 0.968 229 Y HN 0.290 nan 8.280 nan 0.000 0.504 230 K N -0.698 119.685 120.400 -0.029 0.000 2.116 230 K HA -0.053 4.263 4.320 -0.007 0.000 0.203 230 K C 1.994 178.525 176.600 -0.115 0.000 1.052 230 K CA 1.771 58.005 56.287 -0.089 0.000 0.952 230 K CB -0.518 32.045 32.500 0.106 0.000 0.729 230 K HN 0.289 nan 8.250 nan 0.000 0.446 231 T N 0.999 115.507 114.554 -0.076 0.000 2.684 231 T HA -0.155 4.191 4.350 -0.007 0.000 0.267 231 T C 1.735 176.372 174.700 -0.105 0.000 1.036 231 T CA 1.927 63.982 62.100 -0.076 0.000 1.148 231 T CB -0.176 68.646 68.868 -0.077 0.000 0.863 231 T HN 0.222 nan 8.240 nan 0.000 0.436 232 M N 0.136 119.642 119.600 -0.157 0.000 2.175 232 M HA -0.038 4.438 4.480 -0.007 0.000 0.264 232 M C 2.412 178.610 176.300 -0.170 0.000 1.063 232 M CA 0.996 56.211 55.300 -0.142 0.000 1.119 232 M CB -0.304 32.211 32.600 -0.141 0.000 1.377 232 M HN 0.081 nan 8.290 nan 0.000 0.415 233 V N 0.230 119.960 119.914 -0.306 0.000 2.323 233 V HA -0.240 3.876 4.120 -0.007 0.000 0.244 233 V C 1.758 177.782 176.094 -0.117 0.000 1.041 233 V CA 1.791 63.919 62.300 -0.287 0.000 1.025 233 V CB -0.505 31.008 31.823 -0.518 0.000 0.656 233 V HN 0.366 nan 8.190 nan 0.000 0.451 234 D N 0.553 120.894 120.400 -0.097 0.000 2.104 234 D HA -0.139 4.497 4.640 -0.007 0.000 0.194 234 D C 1.676 177.979 176.300 0.006 0.000 0.994 234 D CA 1.300 55.283 54.000 -0.029 0.000 0.830 234 D CB -0.461 40.324 40.800 -0.025 0.000 0.959 234 D HN 0.354 nan 8.370 nan 0.000 0.452 235 N N -0.155 118.543 118.700 -0.003 0.000 2.567 235 N HA -0.066 4.670 4.740 -0.007 0.000 0.195 235 N C 0.001 175.573 175.510 0.102 0.000 1.242 235 N CA 0.337 53.405 53.050 0.030 0.000 0.884 235 N CB -0.437 38.054 38.487 0.008 0.000 1.007 235 N HN 0.330 nan 8.380 nan 0.000 0.450 236 H N -2.470 116.587 119.070 -0.021 0.000 2.899 236 H HA -0.176 4.376 4.556 -0.007 0.000 0.282 236 H C 0.726 176.090 175.328 0.060 0.000 1.198 236 H CA 0.498 56.549 56.048 0.004 0.000 1.140 236 H CB -1.329 28.368 29.762 -0.108 0.000 1.317 236 H HN 0.004 nan 8.280 nan 0.000 0.375 237 V N -0.346 119.604 119.914 0.059 0.000 2.295 237 V HA -0.189 3.927 4.120 -0.007 0.000 0.246 237 V C 1.662 177.805 176.094 0.081 0.000 1.049 237 V CA 2.177 64.505 62.300 0.046 0.000 1.024 237 V CB -0.377 31.457 31.823 0.018 0.000 0.648 237 V HN 0.609 nan 8.190 nan 0.000 0.447 238 M N -1.876 117.736 119.600 0.020 0.000 2.622 238 M HA 0.599 5.075 4.480 -0.007 0.000 0.276 238 M C -3.390 172.621 176.300 -0.482 0.000 1.265 238 M CA -2.286 52.908 55.300 -0.177 0.000 0.850 238 M CB 1.171 33.686 32.600 -0.141 0.000 1.720 238 M HN -0.176 nan 8.290 nan 0.000 0.465 239 P HA 0.090 nan 4.420 nan 0.000 0.265 239 P C -0.070 177.090 177.300 -0.235 0.000 1.187 239 P CA 0.300 62.964 63.100 -0.727 0.000 0.766 239 P CB 0.403 31.704 31.700 -0.665 0.000 0.820 240 S N 1.366 117.018 115.700 -0.081 0.000 2.587 240 S HA 0.027 4.493 4.470 -0.007 0.000 0.260 240 S C 1.570 176.252 174.600 0.137 0.000 1.353 240 S CA 0.603 58.828 58.200 0.042 0.000 0.995 240 S CB -0.195 63.025 63.200 0.033 0.000 0.912 240 S HN 0.598 nan 8.310 nan 0.000 0.568 241 T N -0.666 113.994 114.554 0.176 0.000 2.821 241 T HA -0.119 4.227 4.350 -0.007 0.000 0.267 241 T C 1.646 176.513 174.700 0.278 0.000 1.046 241 T CA 1.362 63.583 62.100 0.203 0.000 1.139 241 T CB -0.518 68.472 68.868 0.203 0.000 0.871 241 T HN 0.721 nan 8.240 nan 0.000 0.454 242 K N -0.158 120.304 120.400 0.103 0.000 2.026 242 K HA -0.150 4.166 4.320 -0.007 0.000 0.208 242 K C 2.222 178.926 176.600 0.174 0.000 1.048 242 K CA 1.397 57.649 56.287 -0.058 0.000 0.929 242 K CB -0.431 31.752 32.500 -0.530 0.000 0.713 242 K HN 0.444 nan 8.250 nan 0.000 0.439 243 Y N -0.060 120.304 120.300 0.106 0.000 2.163 243 Y HA -0.279 4.267 4.550 -0.006 0.000 0.288 243 Y C 2.052 178.186 175.900 0.390 0.000 1.136 243 Y CA 1.851 60.078 58.100 0.212 0.000 1.147 243 Y CB -0.507 38.061 38.460 0.180 0.000 0.987 243 Y HN 0.202 nan 8.280 nan 0.000 0.509 244 Y N 0.203 120.658 120.300 0.258 0.000 2.193 244 Y HA -0.291 4.255 4.550 -0.007 0.000 0.285 244 Y C 2.239 178.328 175.900 0.315 0.000 1.166 244 Y CA 1.756 60.000 58.100 0.239 0.000 1.181 244 Y CB -0.430 38.065 38.460 0.058 0.000 0.976 244 Y HN 0.170 nan 8.280 nan 0.000 0.520 245 A N -1.155 121.916 122.820 0.418 0.000 2.251 245 A HA 0.051 4.367 4.320 -0.007 0.000 0.209 245 A C 2.005 179.690 177.584 0.167 0.000 1.187 245 A CA 0.723 52.948 52.037 0.313 0.000 0.823 245 A CB -0.844 18.357 19.000 0.336 0.000 0.846 245 A HN 0.478 nan 8.150 nan 0.000 0.486 246 S N -1.686 114.063 115.700 0.082 0.000 2.603 246 S HA 0.124 4.590 4.470 -0.007 0.000 0.220 246 S C 1.079 175.500 174.600 -0.298 0.000 0.967 246 S CA 0.221 58.351 58.200 -0.118 0.000 0.920 246 S CB -0.689 62.369 63.200 -0.237 0.000 0.773 246 S HN 0.362 nan 8.310 nan 0.000 0.529 247 F N 2.180 122.070 119.950 -0.101 0.000 2.619 247 F HA 0.457 4.979 4.527 -0.007 0.000 0.293 247 F C 1.730 177.483 175.800 -0.079 0.000 1.119 247 F CA 0.691 58.618 58.000 -0.122 0.000 1.445 247 F CB 0.226 39.118 39.000 -0.179 0.000 1.119 247 F HN 0.548 nan 8.300 nan 0.000 0.573 248 G N 0.290 109.141 108.800 0.085 0.000 2.373 248 G HA2 -0.169 3.787 3.960 -0.007 0.000 0.634 248 G HA3 -0.169 3.787 3.960 -0.007 0.000 0.634 248 G C 0.048 175.001 174.900 0.089 0.000 1.267 248 G CA -0.197 44.942 45.100 0.066 0.000 1.008 248 G HN 0.022 nan 8.290 nan 0.000 0.497 249 K N 0.435 120.881 120.400 0.075 0.000 2.356 249 K HA 0.289 4.605 4.320 -0.007 0.000 0.195 249 K C 1.665 178.318 176.600 0.090 0.000 1.037 249 K CA 1.327 57.673 56.287 0.098 0.000 1.014 249 K CB -0.567 31.979 32.500 0.078 0.000 0.815 249 K HN 1.145 nan 8.250 nan 0.000 0.507 250 S N 1.962 117.688 115.700 0.043 0.000 2.550 250 S HA -0.031 4.435 4.470 -0.007 0.000 0.285 250 S C -0.115 174.477 174.600 -0.014 0.000 1.326 250 S CA -0.560 57.639 58.200 -0.001 0.000 1.037 250 S CB -0.183 62.999 63.200 -0.031 0.000 0.838 250 S HN 0.321 nan 8.310 nan 0.000 0.519 251 N N 1.817 120.462 118.700 -0.092 0.000 2.052 251 N HA -0.124 4.612 4.740 -0.007 0.000 0.283 251 N C 1.103 176.419 175.510 -0.323 0.000 1.272 251 N CA 0.149 53.037 53.050 -0.271 0.000 0.810 251 N CB 0.015 38.103 38.487 -0.665 0.000 1.042 251 N HN 0.698 nan 8.380 nan 0.000 0.483 252 M N 3.764 123.280 119.600 -0.139 0.000 2.080 252 M HA -0.232 4.244 4.480 -0.007 0.000 0.260 252 M C 1.315 177.562 176.300 -0.088 0.000 1.068 252 M CA 1.885 57.214 55.300 0.047 0.000 1.109 252 M CB -0.389 32.363 32.600 0.252 0.000 1.342 252 M HN 0.686 nan 8.290 nan 0.000 0.405 253 Y N -0.597 119.627 120.300 -0.126 0.000 2.574 253 Y HA 0.018 4.564 4.550 -0.007 0.000 0.294 253 Y C 1.276 177.251 175.900 0.125 0.000 1.142 253 Y CA 0.675 58.650 58.100 -0.210 0.000 1.314 253 Y CB -1.142 37.063 38.460 -0.424 0.000 0.991 253 Y HN 0.353 nan 8.280 nan 0.000 0.555 254 E N 0.314 120.438 120.200 -0.126 0.000 2.476 254 E HA 0.203 4.549 4.350 -0.007 0.000 0.196 254 E C -0.082 176.516 176.600 -0.003 0.000 1.029 254 E CA -0.241 56.144 56.400 -0.026 0.000 0.896 254 E CB 0.206 29.825 29.700 -0.134 0.000 1.012 254 E HN 0.445 nan 8.360 nan 0.000 0.475 255 M N 0.731 120.331 119.600 0.001 0.000 2.274 255 M HA 0.145 4.621 4.480 -0.007 0.000 0.344 255 M C 1.198 177.421 176.300 -0.129 0.000 1.161 255 M CA -0.012 55.223 55.300 -0.108 0.000 1.126 255 M CB 1.089 33.540 32.600 -0.250 0.000 1.522 255 M HN -0.161 nan 8.290 nan 0.000 0.461 256 K N 2.004 122.287 120.400 -0.196 0.000 2.009 256 K HA -0.131 4.185 4.320 -0.007 0.000 0.210 256 K C -0.914 175.491 176.600 -0.326 0.000 1.049 256 K CA 1.568 57.753 56.287 -0.171 0.000 0.929 256 K CB -1.054 31.407 32.500 -0.065 0.000 0.714 256 K HN 0.517 nan 8.250 nan 0.000 0.440 257 P HA -0.204 nan 4.420 nan 0.000 0.223 257 P C 0.917 177.875 177.300 -0.569 0.000 1.151 257 P CA 1.042 63.587 63.100 -0.925 0.000 0.787 257 P CB -0.213 30.232 31.700 -2.091 0.000 0.788 258 W N 1.015 122.026 121.300 -0.482 0.000 2.407 258 W HA -0.061 4.595 4.660 -0.006 0.000 0.305 258 W C 1.785 178.312 176.519 0.015 0.000 1.196 258 W CA 0.699 58.025 57.345 -0.031 0.000 1.311 258 W CB -0.638 28.895 29.460 0.122 0.000 1.135 258 W HN -0.198 nan 8.180 nan 0.000 0.514 259 I N 1.673 122.186 120.570 -0.095 0.000 2.202 259 I HA -0.337 3.829 4.170 -0.007 0.000 0.242 259 I C 1.526 177.554 176.117 -0.148 0.000 1.091 259 I CA 1.383 62.614 61.300 -0.115 0.000 1.368 259 I CB -0.824 37.187 38.000 0.018 0.000 1.058 259 I HN -0.080 nan 8.210 nan 0.000 0.410 260 N N 1.223 119.841 118.700 -0.137 0.000 2.571 260 N HA -0.018 4.718 4.740 -0.007 0.000 0.189 260 N C 1.316 176.779 175.510 -0.078 0.000 1.154 260 N CA 0.990 53.982 53.050 -0.097 0.000 0.907 260 N CB -0.180 38.242 38.487 -0.107 0.000 0.977 260 N HN 0.482 nan 8.380 nan 0.000 0.449 261 G N 0.499 109.220 108.800 -0.131 0.000 2.179 261 G HA2 -0.349 3.607 3.960 -0.007 0.000 0.257 261 G HA3 -0.349 3.607 3.960 -0.007 0.000 0.257 261 G C 0.812 175.766 174.900 0.090 0.000 1.010 261 G CA 0.678 45.752 45.100 -0.043 0.000 0.736 261 G HN 0.443 nan 8.290 nan 0.000 0.513 262 E N -1.594 118.585 120.200 -0.035 0.000 2.122 262 E HA 0.018 4.364 4.350 -0.007 0.000 0.190 262 E C 0.480 177.300 176.600 0.366 0.000 0.977 262 E CA 0.494 56.842 56.400 -0.087 0.000 0.820 262 E CB 0.126 29.597 29.700 -0.382 0.000 0.770 262 E HN 0.555 nan 8.360 nan 0.000 0.462 263 W N 0.580 121.998 121.300 0.196 0.000 2.357 263 W HA 0.400 5.056 4.660 -0.007 0.000 0.317 263 W C 0.194 176.928 176.519 0.359 0.000 1.101 263 W CA -1.289 56.252 57.345 0.326 0.000 1.380 263 W CB 0.190 29.858 29.460 0.347 0.000 1.266 263 W HN -0.030 nan 8.180 nan 0.000 0.419 264 A N 2.806 125.992 122.820 0.609 0.000 2.532 264 A HA 0.625 4.941 4.320 -0.007 0.000 0.273 264 A C 0.828 178.888 177.584 0.793 0.000 1.342 264 A CA 0.472 52.878 52.037 0.615 0.000 0.929 264 A CB -0.375 19.016 19.000 0.652 0.000 1.051 264 A HN 0.672 nan 8.150 nan 0.000 0.521 265 G N -2.065 107.183 108.800 0.746 0.000 2.313 265 G HA2 0.488 4.444 3.960 -0.007 0.000 0.296 265 G HA3 0.488 4.444 3.960 -0.007 0.000 0.296 265 G C -1.023 174.231 174.900 0.589 0.000 1.356 265 G CA 0.284 45.779 45.100 0.657 0.000 0.833 265 G HN 0.712 nan 8.290 nan 0.000 0.552 266 T N -1.427 113.284 114.554 0.262 0.000 2.957 266 T HA 0.526 4.872 4.350 -0.007 0.000 0.336 266 T C -2.236 172.400 174.700 -0.107 0.000 1.462 266 T CA -0.408 61.709 62.100 0.028 0.000 1.073 266 T CB 1.501 70.229 68.868 -0.232 0.000 1.319 266 T HN 1.236 nan 8.240 nan 0.000 0.485 267 Y N 5.270 125.341 120.300 -0.382 0.000 2.417 267 Y HA 0.758 5.304 4.550 -0.007 0.000 0.336 267 Y C -0.684 174.861 175.900 -0.591 0.000 0.961 267 Y CA -0.894 56.812 58.100 -0.657 0.000 1.215 267 Y CB 0.949 38.955 38.460 -0.757 0.000 1.120 267 Y HN 0.710 nan 8.280 nan 0.000 0.499 268 M N 5.802 124.964 119.600 -0.730 0.000 2.421 268 M HA 0.378 4.854 4.480 -0.007 0.000 0.287 268 M C -1.956 174.013 176.300 -0.552 0.000 1.183 268 M CA -0.933 53.949 55.300 -0.698 0.000 0.916 268 M CB 1.489 33.742 32.600 -0.578 0.000 1.701 268 M HN 0.528 nan 8.290 nan 0.000 0.470 269 W N 4.825 125.952 121.300 -0.288 0.000 2.435 269 W HA 0.030 4.686 4.660 -0.007 0.000 0.337 269 W C 1.655 178.097 176.519 -0.129 0.000 1.300 269 W CA -0.025 57.194 57.345 -0.210 0.000 1.298 269 W CB 0.013 29.341 29.460 -0.221 0.000 1.217 269 W HN 0.778 nan 8.180 nan 0.000 0.565 270 N N 0.933 119.744 118.700 0.185 0.000 2.443 270 N HA -0.204 4.532 4.740 -0.007 0.000 0.184 270 N C 1.403 176.936 175.510 0.039 0.000 1.037 270 N CA 1.512 54.632 53.050 0.118 0.000 0.896 270 N CB -0.770 37.812 38.487 0.158 0.000 0.959 270 N HN 0.470 nan 8.380 nan 0.000 0.442 271 S N -1.969 113.762 115.700 0.051 0.000 2.561 271 S HA 0.017 4.483 4.470 -0.007 0.000 0.225 271 S C 1.217 175.787 174.600 -0.050 0.000 0.977 271 S CA 0.783 58.963 58.200 -0.035 0.000 0.926 271 S CB -0.120 63.017 63.200 -0.106 0.000 0.769 271 S HN 0.367 nan 8.310 nan 0.000 0.533 272 T N -0.022 114.535 114.554 0.004 0.000 3.684 272 T HA 0.314 4.660 4.350 -0.007 0.000 0.317 272 T C 0.601 175.339 174.700 0.063 0.000 0.922 272 T CA -0.237 61.869 62.100 0.010 0.000 0.999 272 T CB -0.381 68.523 68.868 0.060 0.000 1.204 272 T HN 0.191 nan 8.240 nan 0.000 0.534 273 I N 2.432 122.987 120.570 -0.024 0.000 2.361 273 I HA -0.052 4.114 4.170 -0.007 0.000 0.251 273 I C 2.483 178.597 176.117 -0.005 0.000 1.133 273 I CA 2.247 63.487 61.300 -0.100 0.000 1.413 273 I CB -0.120 37.568 38.000 -0.520 0.000 1.073 273 I HN 0.498 nan 8.210 nan 0.000 0.424 274 T N -2.598 111.924 114.554 -0.052 0.000 3.072 274 T HA -0.157 4.189 4.350 -0.007 0.000 0.266 274 T C 1.926 176.572 174.700 -0.090 0.000 1.127 274 T CA 1.028 63.100 62.100 -0.046 0.000 1.107 274 T CB -0.501 68.332 68.868 -0.059 0.000 0.910 274 T HN 0.392 nan 8.240 nan 0.000 0.513 275 K N -0.322 119.958 120.400 -0.200 0.000 2.209 275 K HA -0.105 4.211 4.320 -0.007 0.000 0.204 275 K C 1.339 177.541 176.600 -0.663 0.000 1.048 275 K CA 1.180 57.155 56.287 -0.519 0.000 0.940 275 K CB -0.198 31.849 32.500 -0.754 0.000 0.729 275 K HN 0.537 nan 8.250 nan 0.000 0.451 276 Y N -0.118 120.118 120.300 -0.107 0.000 2.222 276 Y HA -0.072 4.474 4.550 -0.007 0.000 0.290 276 Y C 2.834 178.982 175.900 0.414 0.000 1.123 276 Y CA 1.113 59.307 58.100 0.157 0.000 1.120 276 Y CB -0.644 37.841 38.460 0.042 0.000 1.060 276 Y HN 0.151 nan 8.280 nan 0.000 0.508 277 S N -0.030 115.892 115.700 0.370 0.000 2.419 277 S HA -0.198 4.268 4.470 -0.007 0.000 0.235 277 S C 1.358 176.048 174.600 0.151 0.000 1.019 277 S CA 1.708 60.050 58.200 0.236 0.000 0.982 277 S CB -0.549 62.720 63.200 0.114 0.000 0.789 277 S HN 0.341 nan 8.310 nan 0.000 0.490 278 D N 2.111 122.577 120.400 0.110 0.000 2.263 278 D HA 0.013 4.649 4.640 -0.007 0.000 0.208 278 D C 1.074 177.441 176.300 0.112 0.000 0.971 278 D CA 0.754 54.799 54.000 0.074 0.000 0.867 278 D CB -0.406 40.411 40.800 0.027 0.000 0.929 278 D HN 0.442 nan 8.370 nan 0.000 0.492 279 N N -0.256 118.560 118.700 0.194 0.000 2.270 279 N HA 0.108 4.844 4.740 -0.007 0.000 0.198 279 N C 0.192 175.783 175.510 0.134 0.000 1.117 279 N CA -0.025 53.155 53.050 0.216 0.000 0.845 279 N CB 0.518 39.209 38.487 0.340 0.000 0.980 279 N HN 0.213 nan 8.380 nan 0.000 0.486 280 L N 0.375 121.637 121.223 0.064 0.000 2.453 280 L HA 0.237 4.573 4.340 -0.007 0.000 0.261 280 L C 0.509 177.372 176.870 -0.012 0.000 1.179 280 L CA -0.140 54.663 54.840 -0.061 0.000 0.813 280 L CB 0.433 42.442 42.059 -0.083 0.000 1.110 280 L HN -0.105 nan 8.230 nan 0.000 0.466 281 T N 1.984 116.522 114.554 -0.027 0.000 2.743 281 T HA 0.168 4.514 4.350 -0.007 0.000 0.293 281 T C -0.032 174.676 174.700 0.014 0.000 0.945 281 T CA -0.817 61.284 62.100 0.001 0.000 1.030 281 T CB 0.388 69.256 68.868 -0.001 0.000 0.912 281 T HN 0.323 nan 8.240 nan 0.000 0.483 282 K N 4.224 124.638 120.400 0.023 0.000 2.524 282 K HA 0.047 4.363 4.320 -0.007 0.000 0.279 282 K C -1.714 174.903 176.600 0.030 0.000 0.993 282 K CA -0.875 55.429 56.287 0.029 0.000 1.030 282 K CB 0.160 32.677 32.500 0.028 0.000 0.891 282 K HN 0.409 nan 8.250 nan 0.000 0.488 283 P HA 0.132 nan 4.420 nan 0.000 0.263 283 P C -0.504 176.828 177.300 0.052 0.000 1.448 283 P CA -0.218 62.907 63.100 0.041 0.000 0.983 283 P CB 0.375 32.099 31.700 0.040 0.000 1.481 284 A N 1.170 124.021 122.820 0.051 0.000 2.511 284 A HA 0.303 4.619 4.320 -0.007 0.000 0.242 284 A C 0.410 178.032 177.584 0.063 0.000 1.069 284 A CA 0.398 52.473 52.037 0.064 0.000 0.763 284 A CB 0.183 19.210 19.000 0.045 0.000 1.001 284 A HN -0.012 nan 8.150 nan 0.000 0.498 285 K N 2.122 122.577 120.400 0.092 0.000 2.375 285 K HA 0.458 4.774 4.320 -0.007 0.000 0.249 285 K C -1.124 175.549 176.600 0.122 0.000 0.942 285 K CA -0.549 55.795 56.287 0.095 0.000 0.806 285 K CB 2.163 34.722 32.500 0.098 0.000 1.227 285 K HN 0.667 nan 8.250 nan 0.000 0.430 286 L N 2.273 123.568 121.223 0.119 0.000 2.305 286 L HA 0.374 4.710 4.340 -0.007 0.000 0.281 286 L C -0.392 176.580 176.870 0.171 0.000 1.085 286 L CA -0.710 54.224 54.840 0.157 0.000 0.813 286 L CB 1.327 43.475 42.059 0.148 0.000 1.157 286 L HN 0.187 nan 8.230 nan 0.000 0.436 287 V N 4.279 124.307 119.914 0.191 0.000 2.789 287 V HA 0.290 4.406 4.120 -0.007 0.000 0.311 287 V C -0.252 175.894 176.094 0.087 0.000 1.073 287 V CA -0.825 61.564 62.300 0.147 0.000 0.921 287 V CB 2.565 34.459 31.823 0.118 0.000 1.009 287 V HN 0.476 nan 8.190 nan 0.000 0.426 288 L N 4.134 125.387 121.223 0.050 0.000 2.490 288 L HA 0.582 4.918 4.340 -0.007 0.000 0.274 288 L C 0.649 177.382 176.870 -0.228 0.000 1.201 288 L CA 1.067 55.785 54.840 -0.203 0.000 0.869 288 L CB 0.598 42.580 42.059 -0.127 0.000 1.123 288 L HN 0.757 nan 8.230 nan 0.000 0.484 289 G N 4.334 112.939 108.800 -0.325 0.000 2.509 289 G HA2 0.671 4.627 3.960 -0.007 0.000 0.328 289 G HA3 0.671 4.627 3.960 -0.007 0.000 0.328 289 G C -2.828 172.048 174.900 -0.040 0.000 1.194 289 G CA -1.317 43.725 45.100 -0.097 0.000 0.967 289 G HN 0.562 nan 8.290 nan 0.000 0.488 290 P HA 0.158 nan 4.420 nan 0.000 0.274 290 P C -1.270 176.020 177.300 -0.017 0.000 1.237 290 P CA -0.303 62.797 63.100 -0.001 0.000 0.793 290 P CB 0.528 32.215 31.700 -0.021 0.000 0.977 291 Y N 3.255 123.516 120.300 -0.064 0.000 2.383 291 Y HA 0.275 4.821 4.550 -0.007 0.000 0.344 291 Y C -1.801 173.999 175.900 -0.167 0.000 0.986 291 Y CA -2.250 55.828 58.100 -0.037 0.000 1.175 291 Y CB 0.513 38.969 38.460 -0.006 0.000 1.152 291 Y HN 0.308 nan 8.280 nan 0.000 0.511 292 P HA 0.037 nan 4.420 nan 0.000 0.266 292 P C -0.850 176.302 177.300 -0.247 0.000 1.195 292 P CA 0.252 62.937 63.100 -0.692 0.000 0.768 292 P CB 0.758 31.444 31.700 -1.690 0.000 0.838 293 M N 2.682 122.256 119.600 -0.044 0.000 2.324 293 M HA 0.333 4.809 4.480 -0.007 0.000 0.288 293 M C -0.358 176.083 176.300 0.235 0.000 1.097 293 M CA -0.807 54.616 55.300 0.205 0.000 0.928 293 M CB 2.022 34.701 32.600 0.132 0.000 1.648 293 M HN 0.248 nan 8.290 nan 0.000 0.460 294 L N 4.390 125.793 121.223 0.298 0.000 2.397 294 L HA 0.317 4.653 4.340 -0.007 0.000 0.271 294 L C -1.776 175.137 176.870 0.071 0.000 1.148 294 L CA -1.615 53.330 54.840 0.174 0.000 0.825 294 L CB 0.368 42.429 42.059 0.004 0.000 1.117 294 L HN 0.360 nan 8.230 nan 0.000 0.456 295 P HA 0.022 nan 4.420 nan 0.000 0.262 295 P C 0.690 177.983 177.300 -0.011 0.000 1.182 295 P CA 0.709 63.819 63.100 0.016 0.000 0.761 295 P CB 0.604 32.312 31.700 0.013 0.000 0.795 296 G N 1.858 110.651 108.800 -0.012 0.000 2.179 296 G HA2 -0.194 3.762 3.960 -0.007 0.000 0.260 296 G HA3 -0.194 3.762 3.960 -0.007 0.000 0.260 296 G C 0.432 175.310 174.900 -0.036 0.000 0.977 296 G CA -0.040 45.044 45.100 -0.026 0.000 0.641 296 G HN 0.867 nan 8.290 nan 0.000 0.533 297 A N 0.106 122.910 122.820 -0.028 0.000 2.488 297 A HA 0.608 4.924 4.320 -0.007 0.000 0.249 297 A C 1.147 178.721 177.584 -0.015 0.000 1.083 297 A CA 0.885 52.904 52.037 -0.031 0.000 0.768 297 A CB 0.275 19.276 19.000 0.002 0.000 1.017 297 A HN 0.365 nan 8.150 nan 0.000 0.496 298 K N 0.784 121.172 120.400 -0.021 0.000 2.404 298 K HA 0.079 4.395 4.320 -0.007 0.000 0.194 298 K C -0.468 176.129 176.600 -0.006 0.000 1.023 298 K CA 0.306 56.585 56.287 -0.013 0.000 1.094 298 K CB 0.312 32.803 32.500 -0.014 0.000 0.841 298 K HN 0.774 nan 8.250 nan 0.000 0.523 299 D N -0.769 119.633 120.400 0.004 0.000 2.804 299 D HA 0.116 4.752 4.640 -0.007 0.000 0.209 299 D C -0.213 176.112 176.300 0.041 0.000 1.314 299 D CA -0.090 53.922 54.000 0.019 0.000 0.894 299 D CB 1.690 42.505 40.800 0.024 0.000 1.615 299 D HN -0.011 nan 8.370 nan 0.000 0.571 300 A N 2.003 124.845 122.820 0.037 0.000 2.186 300 A HA 0.223 4.539 4.320 -0.007 0.000 0.219 300 A C 1.498 179.145 177.584 0.106 0.000 1.159 300 A CA 1.435 53.496 52.037 0.041 0.000 0.680 300 A CB -0.514 18.406 19.000 -0.133 0.000 0.787 300 A HN 1.193 nan 8.150 nan 0.000 0.467 301 G N -0.771 108.086 108.800 0.095 0.000 2.338 301 G HA2 -0.227 3.729 3.960 -0.007 0.000 0.296 301 G HA3 -0.227 3.729 3.960 -0.007 0.000 0.296 301 G C -0.031 174.970 174.900 0.167 0.000 1.040 301 G CA 0.403 45.582 45.100 0.131 0.000 1.004 301 G HN 0.524 nan 8.290 nan 0.000 0.509 302 L N -0.894 120.386 121.223 0.096 0.000 2.436 302 L HA 0.444 4.780 4.340 -0.007 0.000 0.265 302 L C 0.997 178.036 176.870 0.282 0.000 1.168 302 L CA -0.684 54.232 54.840 0.126 0.000 0.815 302 L CB 0.916 42.948 42.059 -0.046 0.000 1.109 302 L HN 0.255 nan 8.230 nan 0.000 0.462 303 F N 3.541 123.598 119.950 0.177 0.000 2.329 303 F HA 0.297 4.820 4.527 -0.007 0.000 0.362 303 F C -0.653 175.338 175.800 0.318 0.000 1.113 303 F CA -0.884 57.274 58.000 0.262 0.000 1.212 303 F CB 0.426 39.650 39.000 0.373 0.000 1.509 303 F HN 0.270 nan 8.300 nan 0.000 0.546 304 F N 7.581 127.743 119.950 0.354 0.000 2.444 304 F HA 0.561 5.084 4.527 -0.006 0.000 0.342 304 F C -1.196 174.551 175.800 -0.088 0.000 1.121 304 F CA -0.650 57.394 58.000 0.073 0.000 0.997 304 F CB 0.960 39.952 39.000 -0.012 0.000 1.130 304 F HN 0.462 nan 8.300 nan 0.000 0.454 305 K N 4.450 124.327 120.400 -0.872 0.000 2.658 305 K HA 0.516 4.832 4.320 -0.007 0.000 0.293 305 K C -3.358 172.704 176.600 -0.896 0.000 1.026 305 K CA -2.173 53.498 56.287 -1.027 0.000 0.871 305 K CB 1.099 32.978 32.500 -1.036 0.000 1.524 305 K HN 0.170 nan 8.250 nan 0.000 0.400 306 P HA -0.089 nan 4.420 nan 0.000 0.261 306 P C -0.119 176.896 177.300 -0.475 0.000 1.183 306 P CA 0.455 63.255 63.100 -0.500 0.000 0.761 306 P CB 0.829 32.330 31.700 -0.332 0.000 0.785 307 A N 3.996 126.568 122.820 -0.413 0.000 1.897 307 A HA -0.063 4.253 4.320 -0.007 0.000 0.215 307 A C 0.877 178.241 177.584 -0.367 0.000 1.181 307 A CA 1.406 53.167 52.037 -0.461 0.000 0.620 307 A CB -0.309 18.485 19.000 -0.343 0.000 0.821 307 A HN 0.668 nan 8.150 nan 0.000 0.443 308 Q N -2.521 117.111 119.800 -0.279 0.000 2.841 308 Q HA 0.595 4.931 4.340 -0.007 0.000 0.309 308 Q C -1.669 174.204 176.000 -0.213 0.000 0.868 308 Q CA -0.755 54.921 55.803 -0.212 0.000 0.760 308 Q CB 0.573 29.161 28.738 -0.249 0.000 1.454 308 Q HN 0.299 nan 8.270 nan 0.000 0.449 309 M N 0.757 120.242 119.600 -0.191 0.000 2.690 309 M HA 0.604 5.080 4.480 -0.007 0.000 0.302 309 M C -0.891 175.290 176.300 -0.198 0.000 1.234 309 M CA -0.884 54.295 55.300 -0.200 0.000 0.853 309 M CB 2.404 34.892 32.600 -0.188 0.000 1.748 309 M HN 0.502 nan 8.290 nan 0.000 0.469 310 L N 0.866 121.963 121.223 -0.210 0.000 2.313 310 L HA 0.571 4.907 4.340 -0.007 0.000 0.283 310 L C -0.529 176.226 176.870 -0.191 0.000 1.013 310 L CA -0.347 54.389 54.840 -0.173 0.000 0.816 310 L CB 1.851 43.816 42.059 -0.157 0.000 1.236 310 L HN 0.670 nan 8.230 nan 0.000 0.419 311 S N 3.131 118.722 115.700 -0.182 0.000 2.600 311 S HA 0.681 5.147 4.470 -0.007 0.000 0.300 311 S C -0.444 174.125 174.600 -0.050 0.000 1.087 311 S CA -0.579 57.494 58.200 -0.212 0.000 0.965 311 S CB 2.134 64.981 63.200 -0.589 0.000 1.089 311 S HN 0.343 nan 8.310 nan 0.000 0.496 312 I N 1.677 122.277 120.570 0.049 0.000 2.404 312 I HA 0.379 4.545 4.170 -0.007 0.000 0.293 312 I C 0.997 177.253 176.117 0.232 0.000 0.992 312 I CA -0.794 60.561 61.300 0.091 0.000 1.149 312 I CB 1.314 39.325 38.000 0.019 0.000 1.315 312 I HN 0.751 nan 8.210 nan 0.000 0.446 313 G N 4.260 113.164 108.800 0.174 0.000 2.265 313 G HA2 -0.083 3.873 3.960 -0.007 0.000 0.240 313 G HA3 -0.083 3.873 3.960 -0.007 0.000 0.240 313 G C 0.937 175.954 174.900 0.194 0.000 1.270 313 G CA -0.146 45.063 45.100 0.181 0.000 0.901 313 G HN 0.901 nan 8.290 nan 0.000 0.507 314 K N 1.070 121.577 120.400 0.179 0.000 2.127 314 K HA -0.153 4.163 4.320 -0.007 0.000 0.208 314 K C 1.497 178.218 176.600 0.201 0.000 1.047 314 K CA 1.873 58.271 56.287 0.184 0.000 0.927 314 K CB -0.050 32.470 32.500 0.033 0.000 0.716 314 K HN 0.378 nan 8.250 nan 0.000 0.450 315 S N 0.361 116.121 115.700 0.099 0.000 2.664 315 S HA 0.036 4.502 4.470 -0.007 0.000 0.245 315 S C -0.357 174.249 174.600 0.010 0.000 1.019 315 S CA -0.359 57.876 58.200 0.058 0.000 0.996 315 S CB 0.889 64.099 63.200 0.017 0.000 0.878 315 S HN 0.383 nan 8.310 nan 0.000 0.493 316 T N 1.840 116.393 114.554 -0.003 0.000 2.946 316 T HA 0.020 4.366 4.350 -0.007 0.000 0.312 316 T C 1.035 175.652 174.700 -0.138 0.000 1.066 316 T CA 0.633 62.689 62.100 -0.073 0.000 1.138 316 T CB 0.336 69.141 68.868 -0.105 0.000 1.014 316 T HN 0.264 nan 8.240 nan 0.000 0.544 317 K N 2.178 122.427 120.400 -0.252 0.000 2.426 317 K HA 0.040 4.356 4.320 -0.007 0.000 0.193 317 K C 0.183 176.399 176.600 -0.640 0.000 1.028 317 K CA 0.418 56.437 56.287 -0.447 0.000 1.047 317 K CB 0.182 32.325 32.500 -0.595 0.000 0.821 317 K HN 0.616 nan 8.250 nan 0.000 0.513 318 H N -0.180 118.854 119.070 -0.060 0.000 2.439 318 H HA 0.137 4.689 4.556 -0.007 0.000 0.230 318 H C -2.163 173.085 175.328 -0.132 0.000 1.420 318 H CA -1.889 54.120 56.048 -0.066 0.000 1.305 318 H CB 0.844 30.586 29.762 -0.033 0.000 1.667 318 H HN 0.035 nan 8.280 nan 0.000 0.515 319 P HA -0.143 nan 4.420 nan 0.000 0.217 319 P C 1.315 178.517 177.300 -0.163 0.000 1.150 319 P CA 1.136 64.013 63.100 -0.372 0.000 0.832 319 P CB 0.671 31.948 31.700 -0.705 0.000 0.787 320 Q N -0.025 119.747 119.800 -0.046 0.000 2.049 320 Q HA -0.146 4.190 4.340 -0.007 0.000 0.198 320 Q C 2.201 178.209 176.000 0.014 0.000 0.971 320 Q CA 1.335 57.142 55.803 0.006 0.000 0.833 320 Q CB -0.376 28.383 28.738 0.036 0.000 0.896 320 Q HN 0.260 nan 8.270 nan 0.000 0.434 321 E N 0.447 120.663 120.200 0.027 0.000 2.110 321 E HA -0.119 4.227 4.350 -0.007 0.000 0.193 321 E C 2.084 178.692 176.600 0.014 0.000 0.988 321 E CA 1.191 57.607 56.400 0.027 0.000 0.804 321 E CB -0.081 29.626 29.700 0.010 0.000 0.745 321 E HN 0.120 nan 8.360 nan 0.000 0.458 322 S N 0.600 116.292 115.700 -0.012 0.000 2.353 322 S HA -0.227 4.239 4.470 -0.007 0.000 0.222 322 S C 2.134 176.695 174.600 -0.065 0.000 1.035 322 S CA 1.149 59.316 58.200 -0.054 0.000 1.025 322 S CB -0.519 62.640 63.200 -0.068 0.000 0.902 322 S HN 0.443 nan 8.310 nan 0.000 0.440 323 A N 1.624 124.419 122.820 -0.042 0.000 1.908 323 A HA -0.134 4.182 4.320 -0.007 0.000 0.218 323 A C 2.176 179.770 177.584 0.017 0.000 1.181 323 A CA 1.770 53.801 52.037 -0.009 0.000 0.627 323 A CB -0.724 18.287 19.000 0.017 0.000 0.818 323 A HN 0.496 nan 8.150 nan 0.000 0.445 324 M N -1.310 118.310 119.600 0.033 0.000 2.149 324 M HA -0.143 4.333 4.480 -0.007 0.000 0.261 324 M C 2.177 178.529 176.300 0.088 0.000 1.064 324 M CA 1.567 56.922 55.300 0.093 0.000 1.102 324 M CB -0.422 32.229 32.600 0.085 0.000 1.369 324 M HN 0.494 nan 8.290 nan 0.000 0.408 325 L N 0.725 121.857 121.223 -0.152 0.000 2.027 325 L HA -0.083 4.253 4.340 -0.007 0.000 0.206 325 L C 2.069 178.810 176.870 -0.214 0.000 1.074 325 L CA 1.766 56.263 54.840 -0.570 0.000 0.745 325 L CB -0.474 41.152 42.059 -0.721 0.000 0.898 325 L HN 0.204 nan 8.230 nan 0.000 0.433 326 I N -0.089 120.411 120.570 -0.117 0.000 2.226 326 I HA -0.312 3.854 4.170 -0.007 0.000 0.245 326 I C 2.463 178.586 176.117 0.010 0.000 1.100 326 I CA 1.614 62.875 61.300 -0.066 0.000 1.374 326 I CB -0.616 37.341 38.000 -0.073 0.000 1.057 326 I HN 0.490 nan 8.210 nan 0.000 0.413 327 N N 0.939 119.678 118.700 0.064 0.000 2.104 327 N HA -0.255 4.481 4.740 -0.007 0.000 0.190 327 N C 2.095 177.686 175.510 0.134 0.000 1.024 327 N CA 1.498 54.620 53.050 0.121 0.000 0.853 327 N CB -0.069 38.503 38.487 0.141 0.000 1.008 327 N HN 0.249 nan 8.380 nan 0.000 0.424 328 F N 1.798 121.769 119.950 0.035 0.000 2.095 328 F HA -0.091 4.432 4.527 -0.007 0.000 0.298 328 F C 2.096 177.905 175.800 0.014 0.000 1.104 328 F CA 1.223 59.270 58.000 0.078 0.000 1.232 328 F CB -0.336 38.780 39.000 0.195 0.000 0.987 328 F HN -0.008 nan 8.300 nan 0.000 0.475 329 L N -0.466 120.736 121.223 -0.036 0.000 2.240 329 L HA -0.123 4.213 4.340 -0.007 0.000 0.211 329 L C 2.071 178.840 176.870 -0.168 0.000 1.106 329 L CA 0.746 55.493 54.840 -0.155 0.000 0.793 329 L CB -0.412 41.589 42.059 -0.097 0.000 0.927 329 L HN 0.245 nan 8.230 nan 0.000 0.446 330 L N -1.331 119.846 121.223 -0.077 0.000 2.425 330 L HA 0.122 4.458 4.340 -0.007 0.000 0.215 330 L C 1.636 178.493 176.870 -0.022 0.000 1.065 330 L CA 0.238 55.076 54.840 -0.004 0.000 0.842 330 L CB -0.069 42.086 42.059 0.160 0.000 1.033 330 L HN 0.244 nan 8.230 nan 0.000 0.474 331 N N -0.649 118.029 118.700 -0.036 0.000 2.460 331 N HA 0.023 4.759 4.740 -0.007 0.000 0.193 331 N C 0.840 176.290 175.510 -0.100 0.000 1.080 331 N CA 0.335 53.344 53.050 -0.068 0.000 0.869 331 N CB 0.443 38.917 38.487 -0.022 0.000 1.201 331 N HN 0.135 nan 8.380 nan 0.000 0.457 332 S N 1.057 116.670 115.700 -0.144 0.000 2.579 332 S HA 0.167 4.633 4.470 -0.007 0.000 0.275 332 S C 1.226 175.709 174.600 -0.194 0.000 1.345 332 S CA -0.304 57.805 58.200 -0.151 0.000 1.031 332 S CB 1.514 64.619 63.200 -0.158 0.000 0.892 332 S HN 0.057 nan 8.310 nan 0.000 0.529 333 K N 1.745 122.076 120.400 -0.114 0.000 2.044 333 K HA -0.195 4.121 4.320 -0.007 0.000 0.210 333 K C 2.134 178.646 176.600 -0.148 0.000 1.049 333 K CA 2.197 58.421 56.287 -0.104 0.000 0.927 333 K CB -0.256 32.212 32.500 -0.053 0.000 0.713 333 K HN 0.744 nan 8.250 nan 0.000 0.443 334 E N -0.143 119.960 120.200 -0.163 0.000 2.107 334 E HA -0.087 4.259 4.350 -0.007 0.000 0.191 334 E C 2.279 178.696 176.600 -0.305 0.000 0.982 334 E CA 0.840 57.160 56.400 -0.134 0.000 0.809 334 E CB -0.084 29.654 29.700 0.064 0.000 0.756 334 E HN 0.471 nan 8.360 nan 0.000 0.459 335 G N 1.164 109.485 108.800 -0.797 0.000 2.414 335 G HA2 -0.229 3.727 3.960 -0.007 0.000 0.215 335 G HA3 -0.229 3.727 3.960 -0.007 0.000 0.215 335 G C 1.759 176.430 174.900 -0.381 0.000 1.188 335 G CA 0.712 45.331 45.100 -0.801 0.000 0.783 335 G HN 0.100 nan 8.290 nan 0.000 0.537 336 V N 0.881 120.602 119.914 -0.322 0.000 2.278 336 V HA -0.282 3.834 4.120 -0.007 0.000 0.251 336 V C 2.627 178.628 176.094 -0.155 0.000 1.062 336 V CA 2.560 64.741 62.300 -0.199 0.000 1.038 336 V CB -0.538 31.188 31.823 -0.163 0.000 0.646 336 V HN 0.596 nan 8.190 nan 0.000 0.447 337 E N -0.235 119.880 120.200 -0.141 0.000 2.051 337 E HA -0.234 4.112 4.350 -0.007 0.000 0.192 337 E C 2.268 178.813 176.600 -0.091 0.000 0.991 337 E CA 1.360 57.701 56.400 -0.098 0.000 0.799 337 E CB -0.278 29.378 29.700 -0.074 0.000 0.748 337 E HN 0.577 nan 8.360 nan 0.000 0.449 338 A N 0.681 123.442 122.820 -0.098 0.000 1.865 338 A HA -0.196 4.120 4.320 -0.007 0.000 0.217 338 A C 2.062 179.581 177.584 -0.107 0.000 1.191 338 A CA 1.359 53.348 52.037 -0.079 0.000 0.623 338 A CB -0.646 18.321 19.000 -0.054 0.000 0.826 338 A HN 0.302 nan 8.150 nan 0.000 0.444 339 L N -1.149 119.988 121.223 -0.143 0.000 2.291 339 L HA 0.147 4.483 4.340 -0.007 0.000 0.214 339 L C 1.943 178.728 176.870 -0.142 0.000 1.120 339 L CA 1.238 55.979 54.840 -0.166 0.000 0.799 339 L CB -1.443 40.497 42.059 -0.199 0.000 0.925 339 L HN 0.717 nan 8.230 nan 0.000 0.446 340 G N -0.142 108.587 108.800 -0.117 0.000 2.611 340 G HA2 -0.361 3.595 3.960 -0.007 0.000 0.301 340 G HA3 -0.361 3.595 3.960 -0.007 0.000 0.301 340 G C 0.568 175.408 174.900 -0.100 0.000 1.233 340 G CA 0.418 45.461 45.100 -0.096 0.000 0.993 340 G HN 0.248 nan 8.290 nan 0.000 0.553 341 L N 0.946 122.115 121.223 -0.091 0.000 2.965 341 L HA 0.305 4.641 4.340 -0.007 0.000 0.254 341 L C 1.757 178.562 176.870 -0.108 0.000 1.220 341 L CA -0.157 54.628 54.840 -0.091 0.000 1.023 341 L CB 0.569 42.588 42.059 -0.067 0.000 1.355 341 L HN 0.416 nan 8.230 nan 0.000 0.545 342 E N 1.086 121.207 120.200 -0.131 0.000 2.463 342 E HA -0.098 4.248 4.350 -0.007 0.000 0.201 342 E C 1.295 177.788 176.600 -0.178 0.000 1.045 342 E CA 0.787 57.096 56.400 -0.152 0.000 0.872 342 E CB 0.167 29.763 29.700 -0.173 0.000 0.797 342 E HN 0.499 nan 8.360 nan 0.000 0.538 343 R N -0.912 119.481 120.500 -0.177 0.000 2.535 343 R HA 0.247 4.583 4.340 -0.007 0.000 0.323 343 R C 0.577 176.783 176.300 -0.157 0.000 0.979 343 R CA 0.384 56.364 56.100 -0.200 0.000 1.120 343 R CB 1.352 31.504 30.300 -0.247 0.000 1.306 343 R HN 0.113 nan 8.270 nan 0.000 0.540 344 G N 0.466 109.195 108.800 -0.118 0.000 2.610 344 G HA2 -0.227 3.729 3.960 -0.007 0.000 0.304 344 G HA3 -0.227 3.729 3.960 -0.007 0.000 0.304 344 G C -0.700 174.155 174.900 -0.074 0.000 1.309 344 G CA -0.847 44.203 45.100 -0.083 0.000 0.906 344 G HN -0.038 nan 8.290 nan 0.000 0.521 345 V N 2.918 122.801 119.914 -0.051 0.000 2.446 345 V HA 0.319 4.435 4.120 -0.007 0.000 0.276 345 V C -1.332 174.735 176.094 -0.045 0.000 1.030 345 V CA -0.256 62.019 62.300 -0.042 0.000 1.033 345 V CB 0.860 32.670 31.823 -0.021 0.000 0.993 345 V HN 0.608 nan 8.190 nan 0.000 0.477 346 P HA 0.070 nan 4.420 nan 0.000 0.265 346 P C 0.799 178.086 177.300 -0.022 0.000 1.187 346 P CA 0.173 63.249 63.100 -0.040 0.000 0.766 346 P CB 0.591 32.256 31.700 -0.058 0.000 0.820 347 L N 0.799 122.035 121.223 0.022 0.000 2.375 347 L HA 0.010 4.346 4.340 -0.007 0.000 0.215 347 L C 1.258 178.111 176.870 -0.029 0.000 1.108 347 L CA 0.553 55.422 54.840 0.048 0.000 0.830 347 L CB -0.210 41.939 42.059 0.149 0.000 0.959 347 L HN 0.392 nan 8.230 nan 0.000 0.457 348 S N 0.281 115.910 115.700 -0.118 0.000 2.525 348 S HA 0.152 4.618 4.470 -0.007 0.000 0.285 348 S C 1.313 175.741 174.600 -0.286 0.000 1.283 348 S CA 0.196 58.107 58.200 -0.482 0.000 1.072 348 S CB 1.432 64.388 63.200 -0.408 0.000 0.867 348 S HN 0.297 nan 8.310 nan 0.000 0.492 349 A N 4.770 127.412 122.820 -0.297 0.000 1.883 349 A HA -0.069 4.247 4.320 -0.007 0.000 0.217 349 A C 2.400 179.897 177.584 -0.146 0.000 1.186 349 A CA 2.335 54.269 52.037 -0.172 0.000 0.624 349 A CB -1.661 17.252 19.000 -0.145 0.000 0.822 349 A HN 0.901 nan 8.150 nan 0.000 0.444 350 T N -0.830 113.622 114.554 -0.171 0.000 2.788 350 T HA -0.000 4.346 4.350 -0.007 0.000 0.268 350 T C 1.918 176.548 174.700 -0.115 0.000 1.044 350 T CA 2.059 64.083 62.100 -0.127 0.000 1.139 350 T CB -0.418 68.376 68.868 -0.123 0.000 0.867 350 T HN 0.534 nan 8.240 nan 0.000 0.454 351 A N 0.164 122.902 122.820 -0.135 0.000 1.930 351 A HA 0.131 4.447 4.320 -0.007 0.000 0.215 351 A C 2.528 180.057 177.584 -0.092 0.000 1.176 351 A CA 1.410 53.379 52.037 -0.114 0.000 0.632 351 A CB -0.988 17.941 19.000 -0.118 0.000 0.819 351 A HN 0.435 nan 8.150 nan 0.000 0.445 352 V N -0.191 119.670 119.914 -0.088 0.000 2.548 352 V HA -0.139 3.977 4.120 -0.007 0.000 0.249 352 V C 2.446 178.505 176.094 -0.058 0.000 1.055 352 V CA 2.765 65.025 62.300 -0.067 0.000 1.065 352 V CB -0.720 31.068 31.823 -0.058 0.000 0.681 352 V HN 0.606 nan 8.190 nan 0.000 0.462 353 T N -0.427 114.089 114.554 -0.063 0.000 2.788 353 T HA -0.241 4.105 4.350 -0.007 0.000 0.268 353 T C 1.763 176.432 174.700 -0.050 0.000 1.044 353 T CA 1.977 64.046 62.100 -0.053 0.000 1.139 353 T CB -0.210 68.625 68.868 -0.054 0.000 0.867 353 T HN 0.597 nan 8.240 nan 0.000 0.454 354 Q N 0.224 119.988 119.800 -0.059 0.000 2.084 354 Q HA -0.021 4.315 4.340 -0.007 0.000 0.202 354 Q C 2.199 178.168 176.000 -0.051 0.000 0.978 354 Q CA 1.156 56.925 55.803 -0.056 0.000 0.844 354 Q CB -0.199 28.497 28.738 -0.069 0.000 0.898 354 Q HN 0.478 nan 8.270 nan 0.000 0.426 355 L N -0.410 120.780 121.223 -0.054 0.000 2.179 355 L HA -0.096 4.240 4.340 -0.007 0.000 0.208 355 L C 2.539 179.386 176.870 -0.039 0.000 1.096 355 L CA 0.778 55.589 54.840 -0.049 0.000 0.779 355 L CB -0.262 41.764 42.059 -0.055 0.000 0.922 355 L HN 0.184 nan 8.230 nan 0.000 0.443 356 R N 0.120 120.598 120.500 -0.037 0.000 2.062 356 R HA -0.110 4.226 4.340 -0.007 0.000 0.231 356 R C 2.450 178.735 176.300 -0.026 0.000 1.136 356 R CA 1.402 57.485 56.100 -0.029 0.000 0.948 356 R CB -0.465 29.818 30.300 -0.028 0.000 0.845 356 R HN 0.299 nan 8.270 nan 0.000 0.430 357 A N 0.945 123.747 122.820 -0.029 0.000 1.978 357 A HA -0.177 4.139 4.320 -0.007 0.000 0.220 357 A C 2.086 179.655 177.584 -0.024 0.000 1.170 357 A CA 1.987 54.008 52.037 -0.025 0.000 0.636 357 A CB -0.466 18.518 19.000 -0.027 0.000 0.810 357 A HN 0.465 nan 8.150 nan 0.000 0.448 358 S N -2.267 113.417 115.700 -0.027 0.000 2.562 358 S HA 0.366 4.832 4.470 -0.007 0.000 0.221 358 S C 1.439 176.026 174.600 -0.021 0.000 0.975 358 S CA 1.045 59.230 58.200 -0.025 0.000 0.918 358 S CB -0.187 62.994 63.200 -0.031 0.000 0.772 358 S HN 1.911 nan 8.310 nan 0.000 0.531 359 G N 0.267 109.055 108.800 -0.020 0.000 2.157 359 G HA2 -0.265 3.691 3.960 -0.007 0.000 0.248 359 G HA3 -0.265 3.691 3.960 -0.007 0.000 0.248 359 G C 0.622 175.512 174.900 -0.017 0.000 0.979 359 G CA 0.205 45.296 45.100 -0.016 0.000 0.650 359 G HN 0.509 nan 8.290 nan 0.000 0.529 360 V N 0.489 120.388 119.914 -0.024 0.000 2.488 360 V HA 0.217 4.333 4.120 -0.007 0.000 0.246 360 V C 1.661 177.740 176.094 -0.024 0.000 1.046 360 V CA 1.494 63.779 62.300 -0.026 0.000 1.053 360 V CB -0.058 31.744 31.823 -0.035 0.000 0.679 360 V HN 0.474 nan 8.190 nan 0.000 0.458 361 I N 2.340 122.895 120.570 -0.025 0.000 2.337 361 I HA 0.231 4.397 4.170 -0.007 0.000 0.291 361 I C 0.018 176.128 176.117 -0.012 0.000 1.046 361 I CA 0.145 61.433 61.300 -0.020 0.000 1.324 361 I CB 0.412 38.398 38.000 -0.024 0.000 1.409 361 I HN 0.279 nan 8.210 nan 0.000 0.494 362 K N 3.923 124.319 120.400 -0.006 0.000 2.378 362 K HA 0.433 4.749 4.320 -0.007 0.000 0.252 362 K C -0.508 176.095 176.600 0.004 0.000 0.931 362 K CA -0.880 55.406 56.287 -0.001 0.000 0.794 362 K CB 2.160 34.661 32.500 0.002 0.000 1.181 362 K HN 0.202 nan 8.250 nan 0.000 0.425 363 D N 1.761 122.164 120.400 0.004 0.000 2.221 363 D HA -0.201 4.435 4.640 -0.007 0.000 0.204 363 D C 1.479 177.788 176.300 0.015 0.000 0.982 363 D CA 1.483 55.488 54.000 0.007 0.000 0.857 363 D CB 0.350 41.153 40.800 0.005 0.000 0.934 363 D HN 0.767 nan 8.370 nan 0.000 0.475 364 E N 0.590 120.801 120.200 0.018 0.000 2.385 364 E HA -0.095 4.251 4.350 -0.007 0.000 0.194 364 E C 0.256 176.879 176.600 0.038 0.000 1.013 364 E CA -0.021 56.395 56.400 0.028 0.000 0.866 364 E CB -0.266 29.450 29.700 0.027 0.000 0.832 364 E HN 0.080 nan 8.360 nan 0.000 0.500 365 D N 3.055 123.474 120.400 0.032 0.000 2.581 365 D HA -0.050 4.586 4.640 -0.007 0.000 0.238 365 D C -1.518 174.820 176.300 0.063 0.000 1.145 365 D CA -1.274 52.747 54.000 0.036 0.000 0.866 365 D CB 1.400 42.211 40.800 0.019 0.000 1.151 365 D HN -0.045 nan 8.370 nan 0.000 0.500 366 P HA -0.135 nan 4.420 nan 0.000 0.219 366 P C 1.402 178.848 177.300 0.245 0.000 1.146 366 P CA 0.787 64.005 63.100 0.197 0.000 0.808 366 P CB 0.205 32.056 31.700 0.251 0.000 0.779 367 S N -0.900 114.865 115.700 0.109 0.000 2.355 367 S HA -0.109 4.357 4.470 -0.007 0.000 0.222 367 S C 1.887 176.533 174.600 0.077 0.000 1.031 367 S CA 1.441 59.688 58.200 0.080 0.000 0.993 367 S CB -1.103 62.096 63.200 -0.001 0.000 0.859 367 S HN -0.113 nan 8.310 nan 0.000 0.453 368 V N 2.269 122.211 119.914 0.047 0.000 2.270 368 V HA -0.065 4.051 4.120 -0.007 0.000 0.245 368 V C 2.996 179.108 176.094 0.030 0.000 1.043 368 V CA 1.793 64.110 62.300 0.028 0.000 1.014 368 V CB -1.453 30.379 31.823 0.014 0.000 0.645 368 V HN 0.627 nan 8.190 nan 0.000 0.447 369 A N 0.511 123.355 122.820 0.041 0.000 1.898 369 A HA -0.051 4.265 4.320 -0.007 0.000 0.216 369 A C 2.426 180.012 177.584 0.003 0.000 1.181 369 A CA 1.855 53.906 52.037 0.023 0.000 0.620 369 A CB -1.350 17.668 19.000 0.031 0.000 0.819 369 A HN 0.527 nan 8.150 nan 0.000 0.442 370 G N 0.293 109.112 108.800 0.032 0.000 2.631 370 G HA2 -0.322 3.634 3.960 -0.007 0.000 0.219 370 G HA3 -0.322 3.634 3.960 -0.007 0.000 0.219 370 G C 1.501 176.381 174.900 -0.034 0.000 1.214 370 G CA 1.520 46.610 45.100 -0.017 0.000 0.785 370 G HN 0.483 nan 8.290 nan 0.000 0.596 371 L N 1.225 122.450 121.223 0.004 0.000 1.971 371 L HA -0.132 4.204 4.340 -0.007 0.000 0.215 371 L C 2.578 179.404 176.870 -0.073 0.000 1.072 371 L CA 2.392 57.217 54.840 -0.025 0.000 0.758 371 L CB -0.753 41.315 42.059 0.015 0.000 0.889 371 L HN 0.182 nan 8.230 nan 0.000 0.433 372 N N -0.671 118.001 118.700 -0.046 0.000 2.069 372 N HA -0.257 4.479 4.740 -0.007 0.000 0.191 372 N C 1.883 177.350 175.510 -0.073 0.000 1.031 372 N CA 1.908 54.928 53.050 -0.052 0.000 0.852 372 N CB -0.552 37.919 38.487 -0.027 0.000 1.018 372 N HN 0.510 nan 8.380 nan 0.000 0.423 373 M N 0.408 119.967 119.600 -0.068 0.000 2.202 373 M HA -0.102 4.374 4.480 -0.007 0.000 0.262 373 M C 1.719 177.946 176.300 -0.121 0.000 1.063 373 M CA 1.500 56.756 55.300 -0.073 0.000 1.097 373 M CB -0.023 32.541 32.600 -0.059 0.000 1.382 373 M HN 0.140 nan 8.290 nan 0.000 0.413 374 A N 0.971 123.684 122.820 -0.177 0.000 1.874 374 A HA -0.025 4.291 4.320 -0.007 0.000 0.214 374 A C 1.992 179.315 177.584 -0.434 0.000 1.189 374 A CA 1.027 52.881 52.037 -0.306 0.000 0.615 374 A CB -0.843 17.973 19.000 -0.305 0.000 0.830 374 A HN 0.603 nan 8.150 nan 0.000 0.443 375 L N -0.487 120.502 121.223 -0.390 0.000 2.127 375 L HA -0.202 4.134 4.340 -0.007 0.000 0.211 375 L C 2.505 179.342 176.870 -0.055 0.000 1.089 375 L CA 1.870 56.520 54.840 -0.317 0.000 0.757 375 L CB -0.555 41.393 42.059 -0.184 0.000 0.899 375 L HN 0.627 nan 8.230 nan 0.000 0.434 376 E N 0.481 120.634 120.200 -0.078 0.000 2.285 376 E HA -0.037 4.309 4.350 -0.007 0.000 0.194 376 E C 0.972 177.559 176.600 -0.022 0.000 0.997 376 E CA -0.111 56.269 56.400 -0.033 0.000 0.845 376 E CB 0.220 29.897 29.700 -0.039 0.000 0.782 376 E HN 0.367 nan 8.360 nan 0.000 0.491 377 L N 2.981 124.169 121.223 -0.059 0.000 2.490 377 L HA 0.114 4.450 4.340 -0.007 0.000 0.274 377 L C -2.064 174.842 176.870 0.060 0.000 1.201 377 L CA -1.710 53.096 54.840 -0.057 0.000 0.869 377 L CB 0.202 42.137 42.059 -0.205 0.000 1.123 377 L HN 0.068 nan 8.230 nan 0.000 0.484 378 P HA 0.084 nan 4.420 nan 0.000 0.276 378 P C -0.668 176.660 177.300 0.045 0.000 1.235 378 P CA 0.205 63.309 63.100 0.007 0.000 0.772 378 P CB 0.432 32.121 31.700 -0.018 0.000 0.871 379 H N 1.589 120.603 119.070 -0.094 0.000 3.237 379 H HA 0.274 4.826 4.556 -0.007 0.000 0.224 379 H C 0.394 175.699 175.328 -0.037 0.000 1.370 379 H CA -0.440 55.555 56.048 -0.089 0.000 1.112 379 H CB -0.359 29.299 29.762 -0.172 0.000 2.482 379 H HN 0.228 nan 8.280 nan 0.000 0.561 380 K N 0.389 120.718 120.400 -0.117 0.000 2.147 380 K HA -0.036 4.280 4.320 -0.007 0.000 0.205 380 K C 0.841 177.450 176.600 0.015 0.000 1.049 380 K CA 0.591 56.832 56.287 -0.077 0.000 0.936 380 K CB 0.102 32.566 32.500 -0.061 0.000 0.722 380 K HN 0.162 nan 8.250 nan 0.000 0.446 381 M N 1.820 121.445 119.600 0.041 0.000 2.356 381 M HA -0.038 4.438 4.480 -0.007 0.000 0.348 381 M C -0.777 175.583 176.300 0.099 0.000 1.595 381 M CA 0.928 56.265 55.300 0.062 0.000 1.095 381 M CB 0.706 33.337 32.600 0.053 0.000 1.963 381 M HN -0.077 nan 8.290 nan 0.000 0.459 382 T N 3.795 118.408 114.554 0.099 0.000 2.922 382 T HA 0.449 4.795 4.350 -0.007 0.000 0.285 382 T C -0.077 174.679 174.700 0.093 0.000 1.005 382 T CA -0.722 61.452 62.100 0.124 0.000 1.061 382 T CB 0.853 69.804 68.868 0.139 0.000 1.007 382 T HN 0.659 nan 8.240 nan 0.000 0.502 383 T N 2.060 116.672 114.554 0.098 0.000 2.799 383 T HA 0.365 4.711 4.350 -0.007 0.000 0.286 383 T C 0.430 175.298 174.700 0.280 0.000 0.973 383 T CA -0.524 61.595 62.100 0.031 0.000 1.035 383 T CB 1.233 69.950 68.868 -0.252 0.000 0.932 383 T HN 0.574 nan 8.240 nan 0.000 0.469 384 S N 3.764 119.600 115.700 0.228 0.000 2.549 384 S HA 0.180 4.646 4.470 -0.007 0.000 0.279 384 S C -1.096 173.645 174.600 0.235 0.000 1.321 384 S CA -1.654 56.700 58.200 0.256 0.000 1.054 384 S CB 0.523 63.870 63.200 0.245 0.000 0.899 384 S HN 0.446 nan 8.310 nan 0.000 0.497 385 P HA -0.102 nan 4.420 nan 0.000 0.221 385 P C 0.475 177.589 177.300 -0.310 0.000 1.145 385 P CA 1.209 63.989 63.100 -0.534 0.000 0.795 385 P CB -0.129 30.888 31.700 -1.138 0.000 0.775 386 Y N -1.683 118.629 120.300 0.020 0.000 2.439 386 Y HA -0.038 4.508 4.550 -0.007 0.000 0.292 386 Y C 2.313 178.276 175.900 0.105 0.000 1.130 386 Y CA 0.400 58.510 58.100 0.017 0.000 1.254 386 Y CB -1.376 37.055 38.460 -0.049 0.000 1.000 386 Y HN -0.103 nan 8.280 nan 0.000 0.554 387 F N 1.035 121.091 119.950 0.175 0.000 2.269 387 F HA -0.158 4.366 4.527 -0.006 0.000 0.301 387 F C 1.114 177.069 175.800 0.258 0.000 1.082 387 F CA 1.421 59.547 58.000 0.209 0.000 1.360 387 F CB -0.058 38.994 39.000 0.085 0.000 1.041 387 F HN -0.070 nan 8.300 nan 0.000 0.512 388 D N 0.487 120.979 120.400 0.153 0.000 2.615 388 D HA 0.053 4.689 4.640 -0.007 0.000 0.236 388 D C -0.874 175.534 176.300 0.180 0.000 1.233 388 D CA -0.203 53.917 54.000 0.200 0.000 0.829 388 D CB -0.650 40.472 40.800 0.537 0.000 1.024 388 D HN 0.285 nan 8.370 nan 0.000 0.490 389 D N -0.482 119.994 120.400 0.127 0.000 2.389 389 D HA 0.063 4.699 4.640 -0.007 0.000 0.247 389 D C -1.490 174.889 176.300 0.132 0.000 1.128 389 D CA -1.512 52.558 54.000 0.116 0.000 0.884 389 D CB 1.560 42.426 40.800 0.111 0.000 1.194 389 D HN -0.016 nan 8.370 nan 0.000 0.441 390 P HA -0.145 nan 4.420 nan 0.000 0.218 390 P C 0.881 178.250 177.300 0.115 0.000 1.149 390 P CA 1.199 64.382 63.100 0.138 0.000 0.817 390 P CB 0.173 31.923 31.700 0.082 0.000 0.785 391 Q N -1.184 118.657 119.800 0.068 0.000 2.124 391 Q HA -0.123 4.213 4.340 -0.007 0.000 0.202 391 Q C 1.932 177.985 176.000 0.088 0.000 0.977 391 Q CA 1.017 56.852 55.803 0.053 0.000 0.850 391 Q CB -0.416 28.323 28.738 0.003 0.000 0.901 391 Q HN 0.206 nan 8.270 nan 0.000 0.429 392 I N -0.118 120.517 120.570 0.108 0.000 2.202 392 I HA -0.202 3.964 4.170 -0.007 0.000 0.242 392 I C 2.260 178.556 176.117 0.298 0.000 1.091 392 I CA 1.039 62.442 61.300 0.172 0.000 1.368 392 I CB -1.069 37.041 38.000 0.183 0.000 1.058 392 I HN 0.063 nan 8.210 nan 0.000 0.410 393 V N 0.075 120.139 119.914 0.251 0.000 2.332 393 V HA -0.290 3.826 4.120 -0.007 0.000 0.248 393 V C 2.726 179.083 176.094 0.439 0.000 1.055 393 V CA 2.150 64.652 62.300 0.336 0.000 1.038 393 V CB -0.868 31.124 31.823 0.282 0.000 0.651 393 V HN 0.376 nan 8.190 nan 0.000 0.450 394 S N -0.437 115.443 115.700 0.301 0.000 2.355 394 S HA -0.155 4.311 4.470 -0.007 0.000 0.222 394 S C 1.930 176.614 174.600 0.141 0.000 1.031 394 S CA 1.665 59.974 58.200 0.181 0.000 0.993 394 S CB -0.396 62.879 63.200 0.124 0.000 0.859 394 S HN 0.442 nan 8.310 nan 0.000 0.453 395 L N 0.830 122.174 121.223 0.201 0.000 2.089 395 L HA -0.122 4.214 4.340 -0.007 0.000 0.213 395 L C 1.900 179.037 176.870 0.445 0.000 1.079 395 L CA 1.992 56.986 54.840 0.257 0.000 0.758 395 L CB -0.805 41.336 42.059 0.137 0.000 0.891 395 L HN 0.457 nan 8.230 nan 0.000 0.433 396 F N -0.067 120.117 119.950 0.390 0.000 2.163 396 F HA 0.045 4.568 4.527 -0.007 0.000 0.297 396 F C 2.197 178.023 175.800 0.043 0.000 1.094 396 F CA 1.445 59.587 58.000 0.236 0.000 1.290 396 F CB -0.869 38.217 39.000 0.145 0.000 1.017 396 F HN 0.105 nan 8.300 nan 0.000 0.483 397 G N -0.208 108.490 108.800 -0.170 0.000 2.422 397 G HA2 -0.262 3.694 3.960 -0.007 0.000 0.218 397 G HA3 -0.262 3.694 3.960 -0.007 0.000 0.218 397 G C 1.354 175.978 174.900 -0.459 0.000 1.146 397 G CA 1.039 45.756 45.100 -0.638 0.000 0.769 397 G HN 0.298 nan 8.290 nan 0.000 0.547 398 D N 1.174 121.387 120.400 -0.312 0.000 2.092 398 D HA -0.100 4.536 4.640 -0.007 0.000 0.193 398 D C 2.850 178.885 176.300 -0.442 0.000 0.994 398 D CA 1.429 55.214 54.000 -0.359 0.000 0.828 398 D CB -0.638 40.103 40.800 -0.098 0.000 0.963 398 D HN 0.287 nan 8.370 nan 0.000 0.450 399 A N 0.981 123.737 122.820 -0.106 0.000 1.892 399 A HA -0.198 4.118 4.320 -0.007 0.000 0.218 399 A C 2.339 179.835 177.584 -0.146 0.000 1.188 399 A CA 2.116 54.167 52.037 0.023 0.000 0.631 399 A CB -0.949 18.094 19.000 0.072 0.000 0.822 399 A HN 0.448 nan 8.150 nan 0.000 0.447 400 I N -3.457 116.882 120.570 -0.385 0.000 2.876 400 I HA -0.082 4.084 4.170 -0.007 0.000 0.264 400 I C 2.157 178.190 176.117 -0.140 0.000 1.204 400 I CA 1.156 62.202 61.300 -0.424 0.000 1.485 400 I CB -0.435 36.897 38.000 -1.113 0.000 1.103 400 I HN 0.259 nan 8.210 nan 0.000 0.446 401 Q N 0.458 120.144 119.800 -0.191 0.000 2.119 401 Q HA -0.158 4.178 4.340 -0.007 0.000 0.201 401 Q C 2.059 178.078 176.000 0.031 0.000 0.972 401 Q CA 1.667 57.440 55.803 -0.050 0.000 0.847 401 Q CB -0.211 28.356 28.738 -0.285 0.000 0.903 401 Q HN 0.575 nan 8.270 nan 0.000 0.433 402 Y N 0.312 120.608 120.300 -0.008 0.000 2.224 402 Y HA -0.189 4.357 4.550 -0.007 0.000 0.289 402 Y C 1.985 177.907 175.900 0.037 0.000 1.146 402 Y CA 0.768 58.853 58.100 -0.026 0.000 1.182 402 Y CB -0.277 38.092 38.460 -0.152 0.000 0.983 402 Y HN 0.107 nan 8.280 nan 0.000 0.524 403 I N -0.366 120.325 120.570 0.202 0.000 2.252 403 I HA -0.258 3.908 4.170 -0.007 0.000 0.245 403 I C 1.664 177.896 176.117 0.191 0.000 1.102 403 I CA 1.422 62.835 61.300 0.188 0.000 1.385 403 I CB -0.238 37.910 38.000 0.247 0.000 1.064 403 I HN 0.118 nan 8.210 nan 0.000 0.414 404 D N -0.138 120.392 120.400 0.216 0.000 2.234 404 D HA -0.123 4.513 4.640 -0.007 0.000 0.205 404 D C 1.274 177.573 176.300 -0.003 0.000 0.962 404 D CA 1.340 55.415 54.000 0.126 0.000 0.855 404 D CB -0.002 40.878 40.800 0.133 0.000 0.951 404 D HN 0.381 nan 8.370 nan 0.000 0.500 405 Y N -0.379 119.967 120.300 0.076 0.000 2.571 405 Y HA 0.302 4.848 4.550 -0.006 0.000 0.275 405 Y C 1.765 177.705 175.900 0.067 0.000 1.179 405 Y CA -0.021 58.118 58.100 0.066 0.000 1.242 405 Y CB 0.711 39.199 38.460 0.046 0.000 1.126 405 Y HN -0.009 nan 8.280 nan 0.000 0.524 406 G N 0.024 108.922 108.800 0.164 0.000 2.189 406 G HA2 -0.385 3.571 3.960 -0.007 0.000 0.267 406 G HA3 -0.385 3.571 3.960 -0.007 0.000 0.267 406 G C 1.226 176.183 174.900 0.097 0.000 0.975 406 G CA 0.899 46.064 45.100 0.109 0.000 0.644 406 G HN 0.480 nan 8.290 nan 0.000 0.537 407 Q N -0.367 119.513 119.800 0.133 0.000 2.119 407 Q HA 0.035 4.371 4.340 -0.007 0.000 0.201 407 Q C 0.882 176.868 176.000 -0.024 0.000 0.972 407 Q CA 1.090 56.938 55.803 0.075 0.000 0.847 407 Q CB 0.037 28.866 28.738 0.153 0.000 0.903 407 Q HN 0.532 nan 8.270 nan 0.000 0.433 408 K N 1.365 121.760 120.400 -0.008 0.000 2.422 408 K HA 0.294 4.610 4.320 -0.007 0.000 0.251 408 K C -0.352 176.238 176.600 -0.016 0.000 0.933 408 K CA -0.303 55.929 56.287 -0.093 0.000 0.798 408 K CB 2.203 34.557 32.500 -0.243 0.000 1.238 408 K HN 0.065 nan 8.250 nan 0.000 0.428 409 T N -2.164 112.377 114.554 -0.022 0.000 2.754 409 T HA 0.088 4.434 4.350 -0.007 0.000 0.286 409 T C 1.548 176.262 174.700 0.024 0.000 0.997 409 T CA -0.716 61.394 62.100 0.016 0.000 0.982 409 T CB 0.633 69.510 68.868 0.016 0.000 1.027 409 T HN 0.173 nan 8.240 nan 0.000 0.529 410 V N 1.009 120.963 119.914 0.066 0.000 2.295 410 V HA -0.171 3.945 4.120 -0.007 0.000 0.246 410 V C 3.032 179.169 176.094 0.072 0.000 1.049 410 V CA 2.361 64.723 62.300 0.103 0.000 1.024 410 V CB -1.067 30.850 31.823 0.158 0.000 0.648 410 V HN 0.983 nan 8.190 nan 0.000 0.447 411 Q N -0.177 119.662 119.800 0.065 0.000 2.079 411 Q HA -0.211 4.125 4.340 -0.007 0.000 0.200 411 Q C 2.196 178.209 176.000 0.022 0.000 0.974 411 Q CA 1.910 57.752 55.803 0.064 0.000 0.840 411 Q CB -0.099 28.677 28.738 0.063 0.000 0.898 411 Q HN 0.724 nan 8.270 nan 0.000 0.430 412 E N -0.668 119.525 120.200 -0.011 0.000 2.058 412 E HA -0.179 4.167 4.350 -0.007 0.000 0.194 412 E C 2.017 178.575 176.600 -0.070 0.000 0.997 412 E CA 1.648 58.022 56.400 -0.045 0.000 0.801 412 E CB -0.115 29.535 29.700 -0.084 0.000 0.746 412 E HN 0.344 nan 8.360 nan 0.000 0.450 413 T N 0.895 115.373 114.554 -0.127 0.000 2.788 413 T HA -0.155 4.191 4.350 -0.007 0.000 0.268 413 T C 1.985 176.453 174.700 -0.387 0.000 1.044 413 T CA 1.228 63.186 62.100 -0.236 0.000 1.139 413 T CB -0.212 68.475 68.868 -0.302 0.000 0.867 413 T HN 0.273 nan 8.240 nan 0.000 0.454 414 A N 1.539 124.180 122.820 -0.299 0.000 1.898 414 A HA -0.114 4.202 4.320 -0.007 0.000 0.216 414 A C 2.188 179.758 177.584 -0.024 0.000 1.181 414 A CA 1.502 53.472 52.037 -0.112 0.000 0.620 414 A CB -0.441 18.684 19.000 0.209 0.000 0.819 414 A HN 0.572 nan 8.150 nan 0.000 0.442 415 E N -1.778 118.425 120.200 0.006 0.000 2.107 415 E HA -0.171 4.175 4.350 -0.007 0.000 0.191 415 E C 1.875 178.465 176.600 -0.016 0.000 0.982 415 E CA 1.294 57.703 56.400 0.015 0.000 0.809 415 E CB -0.297 29.423 29.700 0.033 0.000 0.756 415 E HN 0.787 nan 8.360 nan 0.000 0.459 416 Y N 0.536 120.753 120.300 -0.138 0.000 2.163 416 Y HA -0.247 4.298 4.550 -0.007 0.000 0.288 416 Y C 1.988 177.799 175.900 -0.148 0.000 1.136 416 Y CA 1.351 59.367 58.100 -0.140 0.000 1.147 416 Y CB -0.327 38.038 38.460 -0.159 0.000 0.987 416 Y HN -0.009 nan 8.280 nan 0.000 0.509 417 F N 1.211 120.962 119.950 -0.332 0.000 2.051 417 F HA -0.227 4.296 4.527 -0.007 0.000 0.296 417 F C 2.503 177.980 175.800 -0.539 0.000 1.122 417 F CA 2.129 59.857 58.000 -0.453 0.000 1.201 417 F CB -0.972 37.767 39.000 -0.434 0.000 0.978 417 F HN 0.105 nan 8.300 nan 0.000 0.472 418 N N 1.077 119.447 118.700 -0.550 0.000 2.037 418 N HA -0.288 4.448 4.740 -0.007 0.000 0.196 418 N C 2.007 177.353 175.510 -0.273 0.000 1.034 418 N CA 2.051 54.810 53.050 -0.485 0.000 0.861 418 N CB -0.547 37.806 38.487 -0.223 0.000 1.039 418 N HN 0.419 nan 8.380 nan 0.000 0.427 419 K N 0.048 120.299 120.400 -0.248 0.000 2.001 419 K HA -0.090 4.226 4.320 -0.007 0.000 0.208 419 K C 1.772 178.210 176.600 -0.269 0.000 1.048 419 K CA 1.055 57.223 56.287 -0.198 0.000 0.932 419 K CB -0.036 32.370 32.500 -0.157 0.000 0.715 419 K HN 0.250 nan 8.250 nan 0.000 0.437 420 Q N -0.488 119.056 119.800 -0.427 0.000 2.230 420 Q HA -0.042 4.294 4.340 -0.007 0.000 0.202 420 Q C 2.089 177.857 176.000 -0.387 0.000 0.963 420 Q CA 1.339 56.881 55.803 -0.434 0.000 0.866 420 Q CB -0.061 28.270 28.738 -0.678 0.000 0.931 420 Q HN 0.514 nan 8.270 nan 0.000 0.452 421 G N 1.242 109.748 108.800 -0.490 0.000 2.394 421 G HA2 -0.219 3.737 3.960 -0.007 0.000 0.215 421 G HA3 -0.219 3.737 3.960 -0.007 0.000 0.215 421 G C 0.977 175.743 174.900 -0.223 0.000 1.165 421 G CA 0.603 45.471 45.100 -0.386 0.000 0.784 421 G HN 0.227 nan 8.290 nan 0.000 0.535 422 D N 0.355 120.659 120.400 -0.160 0.000 2.158 422 D HA -0.078 4.558 4.640 -0.007 0.000 0.197 422 D C 2.645 178.832 176.300 -0.189 0.000 0.995 422 D CA 0.616 54.514 54.000 -0.170 0.000 0.846 422 D CB -0.102 40.651 40.800 -0.079 0.000 0.941 422 D HN 0.234 nan 8.370 nan 0.000 0.456 423 R N -0.105 120.287 120.500 -0.180 0.000 2.066 423 R HA -0.010 4.326 4.340 -0.007 0.000 0.232 423 R C 2.578 178.785 176.300 -0.155 0.000 1.131 423 R CA 0.594 56.602 56.100 -0.154 0.000 0.955 423 R CB -0.405 29.809 30.300 -0.144 0.000 0.851 423 R HN 0.266 nan 8.270 nan 0.000 0.432 424 I N 1.220 121.690 120.570 -0.167 0.000 2.163 424 I HA -0.313 3.853 4.170 -0.007 0.000 0.243 424 I C 2.320 178.338 176.117 -0.165 0.000 1.085 424 I CA 1.374 62.588 61.300 -0.143 0.000 1.347 424 I CB -0.292 37.633 38.000 -0.126 0.000 1.044 424 I HN 0.140 nan 8.210 nan 0.000 0.408 425 L N 0.158 121.241 121.223 -0.234 0.000 2.191 425 L HA -0.220 4.116 4.340 -0.007 0.000 0.212 425 L C 2.382 179.078 176.870 -0.290 0.000 1.103 425 L CA 1.367 56.023 54.840 -0.305 0.000 0.769 425 L CB -0.424 41.369 42.059 -0.444 0.000 0.908 425 L HN 0.225 nan 8.230 nan 0.000 0.438 426 K N -0.502 119.767 120.400 -0.219 0.000 2.137 426 K HA -0.022 4.294 4.320 -0.007 0.000 0.202 426 K C 2.208 178.717 176.600 -0.152 0.000 1.052 426 K CA 0.635 56.812 56.287 -0.182 0.000 0.961 426 K CB 0.120 32.534 32.500 -0.143 0.000 0.741 426 K HN 0.210 nan 8.250 nan 0.000 0.452 427 R N 0.152 120.573 120.500 -0.132 0.000 2.090 427 R HA 0.018 4.354 4.340 -0.007 0.000 0.228 427 R C 2.307 178.551 176.300 -0.094 0.000 1.110 427 R CA 1.156 57.195 56.100 -0.101 0.000 0.973 427 R CB -0.279 29.968 30.300 -0.087 0.000 0.869 427 R HN 0.117 nan 8.270 nan 0.000 0.440 428 A N 1.083 123.841 122.820 -0.102 0.000 1.898 428 A HA -0.107 4.209 4.320 -0.007 0.000 0.216 428 A C 1.979 179.520 177.584 -0.071 0.000 1.181 428 A CA 1.195 53.206 52.037 -0.042 0.000 0.620 428 A CB -0.244 18.771 19.000 0.026 0.000 0.819 428 A HN 0.166 nan 8.150 nan 0.000 0.442 429 M N -0.788 118.631 119.600 -0.302 0.000 2.561 429 M HA 0.134 4.610 4.480 -0.007 0.000 0.238 429 M C 1.035 177.225 176.300 -0.184 0.000 1.131 429 M CA 0.014 55.065 55.300 -0.415 0.000 1.046 429 M CB -0.106 32.148 32.600 -0.576 0.000 1.532 429 M HN 0.412 nan 8.290 nan 0.000 0.497 430 R N 0.000 120.428 120.500 -0.120 0.000 2.786 430 R HA 0.000 4.336 4.340 -0.007 0.000 0.208 430 R CA 0.000 56.054 56.100 -0.077 0.000 0.921 430 R CB 0.000 30.259 30.300 -0.068 0.000 0.687 430 R HN 0.000 nan 8.270 nan 0.000 0.535