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 2cun_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFRLEDFNFH NKTVFLRVDL NSPMKDGKII SDARFKAVLP TIRYLIESGA DATA SEQUENCE KVVIGTHQGK PYSEDYTTTE EHARVLSELL DQHVEYIEDI FGRYAREKIK DATA SEQUENCE ELKSGEVAIL ENLRFSAEEV KNKPIEECEK TFLVKKLSKV IDYVVNDAFA DATA SEQUENCE TAHRSQPSLV GFARIKPMIM GFLMEKEIEA LMRAYYSKDS PKIYVLGGAK DATA SEQUENCE VEDSLKVVEN VLRRERADLV LTGGLVANVF TLAKGFDLGR KNVEFMKKKG DATA SEQUENCE LLDYVKHAEE ILDEFYPYIR TPVDFAVDYK GERVEIDLLS ENRGLLHQYQ DATA SEQUENCE IMDIGKRTAE KYREILMKAR IIVANGPMGV FEREEFAIGT VEVFKAIADS DATA SEQUENCE PAFSVLGGGH SIASIQKYGI TGITHISTGG GAMLSFFAGE ELPVLRALQI DATA SEQUENCE SYEKF 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.140 176.300 -0.267 0.000 1.140 1 M CA 0.000 54.934 55.300 -0.610 0.000 0.988 1 M CB 0.000 32.461 32.600 -0.232 0.000 1.302 2 F N 2.269 122.391 119.950 0.286 0.000 2.626 2 F HA 0.211 4.738 4.527 0.000 0.000 0.354 2 F C 0.910 176.825 175.800 0.192 0.000 1.168 2 F CA 0.416 58.646 58.000 0.383 0.000 1.368 2 F CB 0.498 39.808 39.000 0.516 0.000 1.092 2 F HN 0.439 nan 8.300 nan 0.000 0.612 3 R N 2.013 122.768 120.500 0.425 0.000 2.854 3 R HA 0.374 4.714 4.340 0.001 0.000 0.271 3 R C 0.680 177.106 176.300 0.210 0.000 0.994 3 R CA -1.026 55.198 56.100 0.207 0.000 0.945 3 R CB 1.488 31.873 30.300 0.142 0.000 1.194 3 R HN 0.628 nan 8.270 nan 0.000 0.476 4 L N 1.445 122.670 121.223 0.003 0.000 2.189 4 L HA -0.263 4.078 4.340 0.001 0.000 0.214 4 L C 2.155 179.164 176.870 0.232 0.000 1.097 4 L CA 1.784 56.640 54.840 0.027 0.000 0.764 4 L CB -0.402 41.264 42.059 -0.654 0.000 0.900 4 L HN 0.738 nan 8.230 nan 0.000 0.436 5 E N -0.812 119.475 120.200 0.145 0.000 2.358 5 E HA -0.173 4.177 4.350 0.001 0.000 0.195 5 E C 0.892 177.545 176.600 0.088 0.000 1.010 5 E CA 0.863 57.374 56.400 0.185 0.000 0.856 5 E CB -0.180 29.614 29.700 0.157 0.000 0.795 5 E HN 0.476 nan 8.360 nan 0.000 0.504 6 D N 0.047 120.492 120.400 0.076 0.000 2.363 6 D HA 0.039 4.680 4.640 0.001 0.000 0.226 6 D C -0.453 175.453 176.300 -0.657 0.000 1.020 6 D CA 0.626 54.513 54.000 -0.188 0.000 0.892 6 D CB 0.035 40.776 40.800 -0.099 0.000 0.900 6 D HN 0.149 nan 8.370 nan 0.000 0.531 7 F N 0.029 119.742 119.950 -0.395 0.000 2.599 7 F HA 0.250 4.777 4.527 0.001 0.000 0.311 7 F C 0.385 175.697 175.800 -0.813 0.000 1.076 7 F CA -1.279 56.264 58.000 -0.761 0.000 0.937 7 F CB 1.186 39.358 39.000 -1.381 0.000 1.282 7 F HN -0.383 nan 8.300 nan 0.000 0.460 8 N N 2.084 120.533 118.700 -0.419 0.000 2.462 8 N HA 0.218 4.959 4.740 0.001 0.000 0.242 8 N C -0.270 175.111 175.510 -0.216 0.000 1.010 8 N CA -0.103 52.810 53.050 -0.228 0.000 0.939 8 N CB 0.329 38.777 38.487 -0.065 0.000 1.127 8 N HN 0.535 nan 8.380 nan 0.000 0.509 9 F N 1.042 121.071 119.950 0.132 0.000 2.797 9 F HA 0.075 4.602 4.527 0.000 0.000 0.302 9 F C 1.029 176.894 175.800 0.107 0.000 1.130 9 F CA -0.496 57.584 58.000 0.133 0.000 1.387 9 F CB -0.337 38.712 39.000 0.082 0.000 1.107 9 F HN 0.535 nan 8.300 nan 0.000 0.577 10 H N 1.717 120.881 119.070 0.155 0.000 3.107 10 H HA -0.016 4.540 4.556 0.001 0.000 0.301 10 H C 1.007 176.390 175.328 0.091 0.000 0.981 10 H CA 0.405 56.511 56.048 0.097 0.000 1.443 10 H CB -0.199 29.592 29.762 0.049 0.000 1.479 10 H HN 0.286 nan 8.280 nan 0.000 0.564 11 N N 2.364 120.758 118.700 -0.509 0.000 2.753 11 N HA -0.227 4.513 4.740 0.001 0.000 0.251 11 N C -0.857 174.593 175.510 -0.100 0.000 1.097 11 N CA 0.417 53.266 53.050 -0.336 0.000 0.786 11 N CB -0.304 37.963 38.487 -0.368 0.000 1.137 11 N HN 0.477 nan 8.380 nan 0.000 0.566 12 K N 0.870 121.277 120.400 0.011 0.000 2.138 12 K HA 0.301 4.621 4.320 0.001 0.000 0.263 12 K C -0.170 176.459 176.600 0.048 0.000 0.965 12 K CA -0.168 56.159 56.287 0.067 0.000 0.868 12 K CB 1.483 34.146 32.500 0.272 0.000 1.083 12 K HN -0.061 nan 8.250 nan 0.000 0.443 13 T N 1.828 116.371 114.554 -0.018 0.000 2.729 13 T HA 0.261 4.611 4.350 0.001 0.000 0.296 13 T C -0.031 174.663 174.700 -0.010 0.000 0.928 13 T CA -0.457 61.627 62.100 -0.027 0.000 1.045 13 T CB 0.515 69.349 68.868 -0.057 0.000 0.902 13 T HN 0.104 nan 8.240 nan 0.000 0.500 14 V N 4.927 124.838 119.914 -0.005 0.000 2.417 14 V HA 0.398 4.518 4.120 0.001 0.000 0.291 14 V C -0.425 175.655 176.094 -0.024 0.000 1.024 14 V CA -1.017 61.268 62.300 -0.026 0.000 0.861 14 V CB 1.170 32.910 31.823 -0.139 0.000 0.985 14 V HN 0.799 nan 8.190 nan 0.000 0.436 15 F N 7.008 126.836 119.950 -0.204 0.000 2.375 15 F HA 0.565 5.093 4.527 0.001 0.000 0.362 15 F C -0.419 175.257 175.800 -0.206 0.000 1.129 15 F CA -1.218 56.642 58.000 -0.232 0.000 1.154 15 F CB 1.040 39.803 39.000 -0.396 0.000 1.205 15 F HN 0.394 nan 8.300 nan 0.000 0.513 16 L N 7.545 128.425 121.223 -0.571 0.000 2.272 16 L HA 0.457 4.797 4.340 0.001 0.000 0.284 16 L C -0.574 175.860 176.870 -0.726 0.000 1.045 16 L CA -0.200 54.322 54.840 -0.531 0.000 0.842 16 L CB 0.188 42.059 42.059 -0.314 0.000 1.224 16 L HN 0.466 nan 8.230 nan 0.000 0.430 17 R N 4.790 124.848 120.500 -0.736 0.000 2.202 17 R HA 0.583 4.923 4.340 0.001 0.000 0.334 17 R C -1.038 175.118 176.300 -0.240 0.000 1.036 17 R CA -0.115 55.661 56.100 -0.540 0.000 0.878 17 R CB 0.576 30.664 30.300 -0.353 0.000 1.067 17 R HN 0.582 nan 8.270 nan 0.000 0.457 18 V N -0.176 119.634 119.914 -0.173 0.000 3.158 18 V HA 0.524 4.644 4.120 0.001 0.000 0.311 18 V C -0.417 175.643 176.094 -0.056 0.000 1.181 18 V CA -1.133 61.106 62.300 -0.102 0.000 1.054 18 V CB 2.392 34.136 31.823 -0.132 0.000 1.085 18 V HN 0.517 nan 8.190 nan 0.000 0.446 19 D N 1.102 121.477 120.400 -0.043 0.000 2.473 19 D HA 0.437 5.077 4.640 0.001 0.000 0.226 19 D C -0.014 176.188 176.300 -0.165 0.000 1.089 19 D CA -0.114 53.860 54.000 -0.043 0.000 0.883 19 D CB 1.162 42.005 40.800 0.072 0.000 1.029 19 D HN 0.646 nan 8.370 nan 0.000 0.517 20 L N 3.148 124.207 121.223 -0.275 0.000 2.965 20 L HA 0.192 4.532 4.340 0.001 0.000 0.254 20 L C 0.704 177.464 176.870 -0.184 0.000 1.220 20 L CA -0.428 54.160 54.840 -0.421 0.000 1.023 20 L CB -0.195 41.473 42.059 -0.652 0.000 1.355 20 L HN 0.154 nan 8.230 nan 0.000 0.545 21 N N 1.046 119.626 118.700 -0.199 0.000 2.406 21 N HA 0.024 4.764 4.740 0.001 0.000 0.274 21 N C -0.514 175.113 175.510 0.195 0.000 1.249 21 N CA 0.387 53.387 53.050 -0.082 0.000 0.951 21 N CB 0.490 38.779 38.487 -0.330 0.000 1.241 21 N HN 0.023 nan 8.380 nan 0.000 0.485 22 S N 3.905 119.695 115.700 0.150 0.000 2.593 22 S HA 0.559 5.030 4.470 0.001 0.000 0.297 22 S C -2.550 171.924 174.600 -0.210 0.000 1.112 22 S CA -1.262 56.916 58.200 -0.036 0.000 1.043 22 S CB 1.602 64.829 63.200 0.044 0.000 1.054 22 S HN 0.481 nan 8.310 nan 0.000 0.516 23 P HA 0.247 nan 4.420 nan 0.000 0.268 23 P C -0.828 176.408 177.300 -0.107 0.000 1.205 23 P CA 0.255 63.133 63.100 -0.371 0.000 0.771 23 P CB 0.339 31.824 31.700 -0.359 0.000 0.858 24 M N 1.813 121.407 119.600 -0.009 0.000 2.667 24 M HA 0.528 5.009 4.480 0.001 0.000 0.286 24 M C -0.455 175.861 176.300 0.027 0.000 1.270 24 M CA -0.925 54.381 55.300 0.010 0.000 0.826 24 M CB 2.596 35.222 32.600 0.044 0.000 1.743 24 M HN 0.013 nan 8.290 nan 0.000 0.460 25 K N 1.668 122.079 120.400 0.018 0.000 2.601 25 K HA 0.234 4.555 4.320 0.001 0.000 0.249 25 K C -1.353 175.260 176.600 0.022 0.000 0.966 25 K CA 0.060 56.361 56.287 0.024 0.000 0.827 25 K CB 0.882 33.389 32.500 0.011 0.000 1.178 25 K HN 0.772 nan 8.250 nan 0.000 0.437 26 D N 2.965 123.385 120.400 0.033 0.000 2.837 26 D HA -0.205 4.435 4.640 0.001 0.000 0.230 26 D C 0.640 176.958 176.300 0.030 0.000 1.152 26 D CA 1.711 55.729 54.000 0.031 0.000 0.736 26 D CB -1.030 39.781 40.800 0.018 0.000 1.084 26 D HN 1.037 nan 8.370 nan 0.000 0.429 27 G N -0.875 107.950 108.800 0.041 0.000 2.179 27 G HA2 -0.340 3.620 3.960 0.001 0.000 0.260 27 G HA3 -0.340 3.620 3.960 0.001 0.000 0.260 27 G C 0.257 175.168 174.900 0.018 0.000 0.977 27 G CA 0.690 45.816 45.100 0.044 0.000 0.641 27 G HN 0.363 nan 8.290 nan 0.000 0.533 28 K N 0.306 120.705 120.400 -0.002 0.000 2.159 28 K HA 0.545 4.866 4.320 0.001 0.000 0.266 28 K C 0.693 177.264 176.600 -0.049 0.000 0.975 28 K CA -0.855 55.411 56.287 -0.034 0.000 0.865 28 K CB 1.711 34.188 32.500 -0.038 0.000 1.087 28 K HN 0.262 nan 8.250 nan 0.000 0.446 29 I N 4.263 124.778 120.570 -0.091 0.000 2.618 29 I HA -0.052 4.118 4.170 0.001 0.000 0.284 29 I C 1.617 177.680 176.117 -0.089 0.000 1.146 29 I CA 0.359 61.598 61.300 -0.103 0.000 1.425 29 I CB 0.297 38.193 38.000 -0.173 0.000 1.383 29 I HN 0.595 nan 8.210 nan 0.000 0.562 30 I N 1.878 122.405 120.570 -0.072 0.000 4.025 30 I HA 0.333 4.503 4.170 0.001 0.000 0.336 30 I C 0.371 176.450 176.117 -0.063 0.000 1.390 30 I CA 0.074 61.334 61.300 -0.066 0.000 1.099 30 I CB 0.539 38.508 38.000 -0.051 0.000 1.049 30 I HN 0.443 nan 8.210 nan 0.000 0.394 31 S N 2.000 117.666 115.700 -0.057 0.000 2.605 31 S HA 0.234 4.704 4.470 0.001 0.000 0.279 31 S C -0.640 173.977 174.600 0.029 0.000 1.166 31 S CA -0.496 57.688 58.200 -0.027 0.000 0.975 31 S CB 1.127 64.311 63.200 -0.027 0.000 1.111 31 S HN 0.452 nan 8.310 nan 0.000 0.465 32 D N 3.630 124.049 120.400 0.031 0.000 2.388 32 D HA 0.315 4.955 4.640 0.001 0.000 0.221 32 D C 1.493 177.921 176.300 0.213 0.000 1.133 32 D CA 0.229 54.307 54.000 0.129 0.000 0.831 32 D CB 0.155 40.896 40.800 -0.100 0.000 0.962 32 D HN 0.456 nan 8.370 nan 0.000 0.502 33 A N 1.443 124.342 122.820 0.132 0.000 1.892 33 A HA -0.238 4.083 4.320 0.001 0.000 0.218 33 A C 2.242 179.896 177.584 0.116 0.000 1.188 33 A CA 1.250 53.348 52.037 0.101 0.000 0.631 33 A CB -0.513 18.529 19.000 0.071 0.000 0.822 33 A HN 0.210 nan 8.150 nan 0.000 0.447 34 R N -1.891 118.677 120.500 0.113 0.000 2.152 34 R HA -0.087 4.254 4.340 0.001 0.000 0.232 34 R C 1.794 178.081 176.300 -0.022 0.000 1.117 34 R CA 1.448 57.561 56.100 0.022 0.000 0.981 34 R CB -0.408 29.865 30.300 -0.046 0.000 0.870 34 R HN 0.618 nan 8.270 nan 0.000 0.451 35 F N 0.929 120.885 119.950 0.010 0.000 2.128 35 F HA -0.101 4.426 4.527 0.000 0.000 0.295 35 F C 2.321 178.126 175.800 0.009 0.000 1.100 35 F CA 1.245 59.249 58.000 0.006 0.000 1.260 35 F CB -0.090 38.902 39.000 -0.013 0.000 1.009 35 F HN -0.153 nan 8.300 nan 0.000 0.476 36 K N 0.151 120.676 120.400 0.209 0.000 2.097 36 K HA -0.105 4.215 4.320 0.001 0.000 0.206 36 K C 2.223 178.872 176.600 0.082 0.000 1.049 36 K CA 1.070 57.426 56.287 0.114 0.000 0.933 36 K CB -0.449 32.097 32.500 0.077 0.000 0.717 36 K HN 0.218 nan 8.250 nan 0.000 0.442 37 A N 1.117 123.980 122.820 0.071 0.000 2.070 37 A HA -0.101 4.220 4.320 0.001 0.000 0.220 37 A C 2.031 179.650 177.584 0.058 0.000 1.159 37 A CA 1.606 53.674 52.037 0.052 0.000 0.656 37 A CB -0.383 18.643 19.000 0.043 0.000 0.800 37 A HN 0.221 nan 8.150 nan 0.000 0.453 38 V N -3.737 116.210 119.914 0.055 0.000 3.578 38 V HA 0.260 4.380 4.120 0.001 0.000 0.290 38 V C 1.677 177.813 176.094 0.070 0.000 1.376 38 V CA 0.196 62.525 62.300 0.048 0.000 1.083 38 V CB -0.616 31.206 31.823 -0.002 0.000 0.911 38 V HN 0.367 nan 8.190 nan 0.000 0.433 39 L N 0.227 121.501 121.223 0.085 0.000 2.042 39 L HA -0.041 4.300 4.340 0.001 0.000 0.210 39 L C 0.154 177.092 176.870 0.113 0.000 1.076 39 L CA 2.043 56.937 54.840 0.090 0.000 0.749 39 L CB -1.726 40.381 42.059 0.080 0.000 0.893 39 L HN 0.361 nan 8.230 nan 0.000 0.432 40 P HA -0.153 nan 4.420 nan 0.000 0.215 40 P C 1.657 179.169 177.300 0.354 0.000 1.157 40 P CA 1.583 64.807 63.100 0.207 0.000 0.874 40 P CB -0.040 31.755 31.700 0.158 0.000 0.790 41 T N -0.539 114.189 114.554 0.291 0.000 2.708 41 T HA -0.118 4.233 4.350 0.001 0.000 0.266 41 T C 1.773 176.520 174.700 0.077 0.000 1.037 41 T CA 1.149 63.314 62.100 0.109 0.000 1.146 41 T CB -0.954 67.876 68.868 -0.062 0.000 0.865 41 T HN 0.046 nan 8.240 nan 0.000 0.435 42 I N 0.717 121.322 120.570 0.058 0.000 2.163 42 I HA -0.220 3.950 4.170 0.001 0.000 0.243 42 I C 2.802 178.960 176.117 0.069 0.000 1.085 42 I CA 1.458 62.776 61.300 0.030 0.000 1.347 42 I CB -0.376 37.642 38.000 0.030 0.000 1.044 42 I HN 0.156 nan 8.210 nan 0.000 0.408 43 R N -0.351 120.218 120.500 0.115 0.000 2.096 43 R HA -0.224 4.116 4.340 0.001 0.000 0.235 43 R C 2.390 178.779 176.300 0.150 0.000 1.127 43 R CA 1.746 57.916 56.100 0.117 0.000 0.968 43 R CB -0.587 29.787 30.300 0.123 0.000 0.861 43 R HN 0.368 nan 8.270 nan 0.000 0.440 44 Y N 1.425 121.787 120.300 0.103 0.000 2.181 44 Y HA -0.177 4.373 4.550 0.000 0.000 0.288 44 Y C 1.926 177.851 175.900 0.043 0.000 1.146 44 Y CA 1.462 59.638 58.100 0.126 0.000 1.164 44 Y CB -0.076 38.518 38.460 0.223 0.000 0.982 44 Y HN -0.047 nan 8.280 nan 0.000 0.515 45 L N -0.613 120.673 121.223 0.106 0.000 2.109 45 L HA -0.200 4.140 4.340 0.001 0.000 0.207 45 L C 2.346 179.192 176.870 -0.040 0.000 1.086 45 L CA 1.111 55.922 54.840 -0.050 0.000 0.760 45 L CB -0.489 41.474 42.059 -0.161 0.000 0.910 45 L HN 0.268 nan 8.230 nan 0.000 0.437 46 I N -0.390 120.172 120.570 -0.012 0.000 2.142 46 I HA -0.254 3.917 4.170 0.001 0.000 0.240 46 I C 2.563 178.678 176.117 -0.003 0.000 1.078 46 I CA 1.171 62.470 61.300 -0.002 0.000 1.343 46 I CB -0.311 37.697 38.000 0.013 0.000 1.046 46 I HN 0.265 nan 8.210 nan 0.000 0.405 47 E N 0.150 120.337 120.200 -0.022 0.000 2.204 47 E HA -0.186 4.164 4.350 0.001 0.000 0.195 47 E C 2.178 178.744 176.600 -0.056 0.000 0.990 47 E CA 1.055 57.432 56.400 -0.037 0.000 0.821 47 E CB -0.305 29.363 29.700 -0.053 0.000 0.750 47 E HN 0.283 nan 8.360 nan 0.000 0.477 48 S N -0.694 114.945 115.700 -0.102 0.000 2.555 48 S HA 0.047 4.518 4.470 0.001 0.000 0.230 48 S C 1.293 175.963 174.600 0.117 0.000 0.978 48 S CA 0.992 59.167 58.200 -0.042 0.000 0.934 48 S CB -0.226 62.948 63.200 -0.044 0.000 0.766 48 S HN 0.418 nan 8.310 nan 0.000 0.533 49 G N 0.389 109.246 108.800 0.096 0.000 2.147 49 G HA2 -0.138 3.822 3.960 0.001 0.000 0.244 49 G HA3 -0.138 3.822 3.960 0.001 0.000 0.244 49 G C 0.149 175.069 174.900 0.034 0.000 1.005 49 G CA 0.218 45.396 45.100 0.129 0.000 0.713 49 G HN 1.007 nan 8.290 nan 0.000 0.515 50 A N -0.571 122.277 122.820 0.048 0.000 2.287 50 A HA 0.761 5.081 4.320 0.001 0.000 0.273 50 A C 0.506 178.081 177.584 -0.016 0.000 1.091 50 A CA -0.088 51.971 52.037 0.036 0.000 0.817 50 A CB 0.586 19.608 19.000 0.036 0.000 1.069 50 A HN 0.390 nan 8.150 nan 0.000 0.492 51 K N 0.737 121.124 120.400 -0.021 0.000 2.281 51 K HA 0.463 4.783 4.320 0.001 0.000 0.272 51 K C -1.345 175.233 176.600 -0.036 0.000 1.048 51 K CA -0.272 55.996 56.287 -0.032 0.000 0.898 51 K CB 1.474 33.952 32.500 -0.038 0.000 1.128 51 K HN 0.359 nan 8.250 nan 0.000 0.460 52 V N 4.170 124.059 119.914 -0.042 0.000 2.364 52 V HA 0.180 4.300 4.120 0.001 0.000 0.272 52 V C -0.157 175.915 176.094 -0.036 0.000 1.036 52 V CA -0.854 61.413 62.300 -0.056 0.000 0.880 52 V CB 1.286 33.069 31.823 -0.068 0.000 0.991 52 V HN 0.404 nan 8.190 nan 0.000 0.460 53 V N 7.062 126.967 119.914 -0.016 0.000 2.313 53 V HA 0.433 4.553 4.120 0.001 0.000 0.278 53 V C 0.095 176.205 176.094 0.026 0.000 1.017 53 V CA -0.330 61.994 62.300 0.041 0.000 0.823 53 V CB 1.166 33.060 31.823 0.118 0.000 1.010 53 V HN 0.663 nan 8.190 nan 0.000 0.443 54 I N 3.756 124.317 120.570 -0.016 0.000 2.428 54 I HA 0.621 4.792 4.170 0.001 0.000 0.289 54 I C 0.898 177.003 176.117 -0.021 0.000 1.019 54 I CA 0.161 61.410 61.300 -0.086 0.000 1.351 54 I CB 1.469 39.432 38.000 -0.063 0.000 1.412 54 I HN 0.686 nan 8.210 nan 0.000 0.513 55 G N 3.107 111.823 108.800 -0.140 0.000 2.666 55 G HA2 0.579 4.540 3.960 0.001 0.000 0.303 55 G HA3 0.579 4.540 3.960 0.001 0.000 0.303 55 G C -1.050 173.833 174.900 -0.028 0.000 1.412 55 G CA -0.270 44.855 45.100 0.041 0.000 0.979 55 G HN 0.514 nan 8.290 nan 0.000 0.507 56 T N 0.122 114.679 114.554 0.005 0.000 2.843 56 T HA 0.600 4.950 4.350 0.001 0.000 0.302 56 T C -0.857 173.856 174.700 0.022 0.000 1.232 56 T CA -0.768 61.324 62.100 -0.014 0.000 1.009 56 T CB 1.337 70.115 68.868 -0.150 0.000 1.254 56 T HN 0.800 nan 8.240 nan 0.000 0.504 57 H N 1.544 120.606 119.070 -0.012 0.000 2.615 57 H HA 0.785 5.341 4.556 0.001 0.000 0.346 57 H C -0.979 174.361 175.328 0.019 0.000 1.200 57 H CA -0.913 55.148 56.048 0.022 0.000 1.264 57 H CB 1.636 31.450 29.762 0.088 0.000 1.699 57 H HN 0.487 nan 8.280 nan 0.000 0.567 58 Q N 0.534 120.373 119.800 0.065 0.000 2.275 58 Q HA 0.414 4.755 4.340 0.001 0.000 0.258 58 Q C 0.230 176.414 176.000 0.307 0.000 0.960 58 Q CA 0.354 56.209 55.803 0.086 0.000 0.801 58 Q CB 1.289 30.037 28.738 0.017 0.000 1.302 58 Q HN 1.257 nan 8.270 nan 0.000 0.433 59 G N 3.185 112.181 108.800 0.326 0.000 2.566 59 G HA2 -0.261 3.700 3.960 0.001 0.000 0.280 59 G HA3 -0.261 3.700 3.960 0.001 0.000 0.280 59 G C -1.053 174.067 174.900 0.368 0.000 1.225 59 G CA 0.370 45.683 45.100 0.355 0.000 0.966 59 G HN 1.013 nan 8.290 nan 0.000 0.560 60 K N -1.226 119.325 120.400 0.252 0.000 2.568 60 K HA 0.587 4.907 4.320 0.001 0.000 0.273 60 K C -3.412 172.866 176.600 -0.537 0.000 0.951 60 K CA -1.864 54.435 56.287 0.020 0.000 0.854 60 K CB 2.136 34.657 32.500 0.034 0.000 1.424 60 K HN 0.381 nan 8.250 nan 0.000 0.427 61 P HA -0.132 nan 4.420 nan 0.000 0.261 61 P C -0.948 176.048 177.300 -0.508 0.000 1.165 61 P CA 0.792 63.172 63.100 -1.200 0.000 0.759 61 P CB -0.188 31.260 31.700 -0.420 0.000 0.772 62 Y N -0.874 119.152 120.300 -0.458 0.000 4.907 62 Y HA -0.285 4.265 4.550 0.001 0.000 0.246 62 Y C 1.061 176.921 175.900 -0.066 0.000 0.968 62 Y CA 1.236 59.246 58.100 -0.150 0.000 1.961 62 Y CB -2.497 35.895 38.460 -0.113 0.000 1.487 62 Y HN 0.424 nan 8.280 nan 0.000 0.575 63 S N -0.178 115.525 115.700 0.004 0.000 2.632 63 S HA 0.426 4.896 4.470 0.001 0.000 0.271 63 S C 1.118 175.808 174.600 0.149 0.000 1.260 63 S CA -0.095 58.163 58.200 0.095 0.000 1.010 63 S CB 2.145 65.407 63.200 0.104 0.000 0.965 63 S HN 0.211 nan 8.310 nan 0.000 0.534 64 E N 0.866 121.150 120.200 0.139 0.000 2.153 64 E HA -0.136 4.214 4.350 0.001 0.000 0.194 64 E C 0.691 177.389 176.600 0.163 0.000 0.988 64 E CA 1.707 58.189 56.400 0.137 0.000 0.811 64 E CB -0.250 29.518 29.700 0.113 0.000 0.746 64 E HN 0.856 nan 8.360 nan 0.000 0.466 65 D N -0.995 119.518 120.400 0.189 0.000 2.460 65 D HA -0.083 4.558 4.640 0.001 0.000 0.229 65 D C -0.622 175.847 176.300 0.282 0.000 1.170 65 D CA -0.474 53.650 54.000 0.207 0.000 0.827 65 D CB -0.937 39.983 40.800 0.200 0.000 0.973 65 D HN 0.137 nan 8.370 nan 0.000 0.496 66 Y N 2.234 122.615 120.300 0.135 0.000 2.477 66 Y HA 0.411 4.962 4.550 0.001 0.000 0.349 66 Y C -0.007 176.002 175.900 0.182 0.000 0.977 66 Y CA -0.621 57.575 58.100 0.160 0.000 1.214 66 Y CB 0.466 38.992 38.460 0.111 0.000 1.124 66 Y HN 0.067 nan 8.280 nan 0.000 0.521 67 T N 1.094 115.685 114.554 0.063 0.000 2.838 67 T HA 0.578 4.928 4.350 0.001 0.000 0.292 67 T C 0.080 174.738 174.700 -0.070 0.000 1.113 67 T CA -0.483 61.640 62.100 0.039 0.000 1.008 67 T CB 1.016 69.945 68.868 0.103 0.000 1.259 67 T HN 0.577 nan 8.240 nan 0.000 0.520 68 T N -0.940 113.587 114.554 -0.044 0.000 2.732 68 T HA 0.369 4.719 4.350 0.001 0.000 0.287 68 T C 1.261 175.830 174.700 -0.218 0.000 0.993 68 T CA 0.197 62.176 62.100 -0.203 0.000 0.966 68 T CB 0.103 68.932 68.868 -0.065 0.000 1.047 68 T HN 1.030 nan 8.240 nan 0.000 0.527 69 T N -3.005 111.414 114.554 -0.225 0.000 3.186 69 T HA 0.239 4.590 4.350 0.001 0.000 0.257 69 T C 1.254 175.874 174.700 -0.134 0.000 1.029 69 T CA -0.112 61.852 62.100 -0.227 0.000 0.916 69 T CB -0.237 68.512 68.868 -0.199 0.000 1.041 69 T HN 0.783 nan 8.240 nan 0.000 0.562 70 E N 1.853 121.735 120.200 -0.529 0.000 2.051 70 E HA -0.230 4.120 4.350 0.001 0.000 0.192 70 E C 2.100 178.563 176.600 -0.230 0.000 0.991 70 E CA 1.289 57.223 56.400 -0.777 0.000 0.799 70 E CB -0.079 29.080 29.700 -0.901 0.000 0.748 70 E HN 0.719 nan 8.360 nan 0.000 0.449 71 E N -0.884 119.268 120.200 -0.080 0.000 2.106 71 E HA -0.225 4.125 4.350 0.001 0.000 0.192 71 E C 1.847 178.422 176.600 -0.041 0.000 0.984 71 E CA 1.205 57.564 56.400 -0.069 0.000 0.806 71 E CB -0.034 29.610 29.700 -0.094 0.000 0.750 71 E HN 0.430 nan 8.360 nan 0.000 0.458 72 H N 0.040 119.113 119.070 0.006 0.000 2.387 72 H HA -0.047 4.509 4.556 0.001 0.000 0.299 72 H C 1.933 177.338 175.328 0.127 0.000 1.090 72 H CA 1.484 57.653 56.048 0.201 0.000 1.332 72 H CB -0.435 29.482 29.762 0.258 0.000 1.386 72 H HN 0.295 nan 8.280 nan 0.000 0.516 73 A N 1.424 124.348 122.820 0.173 0.000 1.877 73 A HA -0.242 4.079 4.320 0.001 0.000 0.216 73 A C 2.386 179.979 177.584 0.015 0.000 1.186 73 A CA 2.035 54.127 52.037 0.090 0.000 0.620 73 A CB -0.516 18.534 19.000 0.085 0.000 0.822 73 A HN 0.590 nan 8.150 nan 0.000 0.443 74 R N -0.655 119.830 120.500 -0.025 0.000 2.066 74 R HA -0.026 4.315 4.340 0.001 0.000 0.232 74 R C 1.686 177.921 176.300 -0.107 0.000 1.131 74 R CA 1.623 57.693 56.100 -0.050 0.000 0.955 74 R CB -1.059 29.205 30.300 -0.060 0.000 0.851 74 R HN 0.153 nan 8.270 nan 0.000 0.432 75 V N 1.449 121.238 119.914 -0.209 0.000 2.332 75 V HA -0.233 3.888 4.120 0.001 0.000 0.248 75 V C 2.387 178.307 176.094 -0.290 0.000 1.055 75 V CA 1.578 63.643 62.300 -0.392 0.000 1.038 75 V CB -0.568 30.722 31.823 -0.887 0.000 0.651 75 V HN 0.252 nan 8.190 nan 0.000 0.450 76 L N -0.112 121.038 121.223 -0.122 0.000 2.093 76 L HA -0.087 4.254 4.340 0.001 0.000 0.208 76 L C 2.590 179.463 176.870 0.005 0.000 1.085 76 L CA 1.869 56.738 54.840 0.048 0.000 0.755 76 L CB -0.921 41.244 42.059 0.177 0.000 0.904 76 L HN 0.298 nan 8.230 nan 0.000 0.435 77 S N -0.642 115.047 115.700 -0.018 0.000 2.368 77 S HA -0.191 4.279 4.470 0.001 0.000 0.225 77 S C 1.761 176.358 174.600 -0.005 0.000 1.030 77 S CA 1.392 59.588 58.200 -0.006 0.000 0.999 77 S CB -0.189 63.019 63.200 0.013 0.000 0.844 77 S HN 0.531 nan 8.310 nan 0.000 0.459 78 E N 1.060 121.239 120.200 -0.035 0.000 2.028 78 E HA -0.057 4.293 4.350 0.001 0.000 0.191 78 E C 2.079 178.659 176.600 -0.032 0.000 0.988 78 E CA 0.931 57.307 56.400 -0.039 0.000 0.799 78 E CB -0.331 29.325 29.700 -0.073 0.000 0.755 78 E HN 0.387 nan 8.360 nan 0.000 0.447 79 L N 0.624 121.821 121.223 -0.043 0.000 2.131 79 L HA -0.174 4.167 4.340 0.001 0.000 0.210 79 L C 2.256 179.132 176.870 0.010 0.000 1.092 79 L CA 0.854 55.684 54.840 -0.017 0.000 0.759 79 L CB -0.215 41.839 42.059 -0.007 0.000 0.903 79 L HN 0.160 nan 8.230 nan 0.000 0.435 80 L N -1.120 120.113 121.223 0.016 0.000 2.529 80 L HA 0.023 4.364 4.340 0.001 0.000 0.223 80 L C 0.586 177.469 176.870 0.022 0.000 1.113 80 L CA 0.013 54.869 54.840 0.026 0.000 0.861 80 L CB -0.136 41.941 42.059 0.031 0.000 1.012 80 L HN 0.221 nan 8.230 nan 0.000 0.461 81 D N 1.065 121.475 120.400 0.017 0.000 2.772 81 D HA -0.270 4.371 4.640 0.001 0.000 0.233 81 D C 0.153 176.473 176.300 0.033 0.000 1.143 81 D CA 0.871 54.883 54.000 0.020 0.000 0.700 81 D CB -0.494 40.315 40.800 0.016 0.000 1.076 81 D HN 0.471 nan 8.370 nan 0.000 0.430 82 Q N -0.332 119.492 119.800 0.040 0.000 2.309 82 Q HA 0.290 4.630 4.340 0.001 0.000 0.273 82 Q C -1.111 174.935 176.000 0.076 0.000 1.040 82 Q CA -1.023 54.815 55.803 0.057 0.000 0.834 82 Q CB 1.052 29.814 28.738 0.040 0.000 1.345 82 Q HN 0.368 nan 8.270 nan 0.000 0.414 83 H N 2.090 121.170 119.070 0.017 0.000 2.975 83 H HA 0.280 4.837 4.556 0.001 0.000 0.303 83 H C -1.273 174.074 175.328 0.031 0.000 1.023 83 H CA 0.478 56.540 56.048 0.023 0.000 1.473 83 H CB 0.482 30.257 29.762 0.022 0.000 1.498 83 H HN 0.242 nan 8.280 nan 0.000 0.549 84 V N 6.391 125.996 119.914 -0.515 0.000 2.334 84 V HA 0.096 4.217 4.120 0.001 0.000 0.281 84 V C 0.258 176.025 176.094 -0.545 0.000 1.016 84 V CA -0.862 61.213 62.300 -0.374 0.000 0.832 84 V CB 0.844 32.590 31.823 -0.128 0.000 0.999 84 V HN 0.854 nan 8.190 nan 0.000 0.439 85 E N 4.077 124.019 120.200 -0.431 0.000 2.324 85 E HA 0.096 4.446 4.350 0.001 0.000 0.271 85 E C -0.914 175.700 176.600 0.023 0.000 1.028 85 E CA -0.446 55.859 56.400 -0.157 0.000 0.890 85 E CB 0.570 30.279 29.700 0.016 0.000 1.004 85 E HN 0.621 nan 8.360 nan 0.000 0.431 86 Y N 6.248 126.540 120.300 -0.014 0.000 2.452 86 Y HA 0.291 4.841 4.550 0.001 0.000 0.348 86 Y C -0.839 175.095 175.900 0.057 0.000 0.985 86 Y CA -0.754 57.354 58.100 0.013 0.000 1.214 86 Y CB 0.278 38.755 38.460 0.027 0.000 1.136 86 Y HN 0.447 nan 8.280 nan 0.000 0.523 87 I N 6.765 127.154 120.570 -0.301 0.000 2.291 87 I HA 0.118 4.289 4.170 0.001 0.000 0.290 87 I C 0.326 176.149 176.117 -0.490 0.000 1.050 87 I CA -0.293 60.843 61.300 -0.272 0.000 1.245 87 I CB 0.945 38.850 38.000 -0.158 0.000 1.405 87 I HN 0.628 nan 8.210 nan 0.000 0.478 88 E N 6.030 125.915 120.200 -0.525 0.000 2.222 88 E HA 0.055 4.405 4.350 0.001 0.000 0.312 88 E C -0.944 175.579 176.600 -0.128 0.000 1.263 88 E CA 0.119 56.236 56.400 -0.472 0.000 1.356 88 E CB 0.122 29.608 29.700 -0.356 0.000 1.180 88 E HN 0.544 nan 8.360 nan 0.000 0.494 89 D N 0.805 121.149 120.400 -0.093 0.000 2.807 89 D HA 0.159 4.800 4.640 0.001 0.000 0.279 89 D C -0.081 176.177 176.300 -0.070 0.000 1.247 89 D CA -0.547 53.428 54.000 -0.043 0.000 0.749 89 D CB 0.628 41.476 40.800 0.079 0.000 1.264 89 D HN 0.187 nan 8.370 nan 0.000 0.421 90 I N -0.254 120.251 120.570 -0.108 0.000 3.534 90 I HA 0.202 4.373 4.170 0.001 0.000 0.251 90 I C 0.988 177.140 176.117 0.059 0.000 1.136 90 I CA -0.065 61.221 61.300 -0.022 0.000 1.475 90 I CB 0.258 38.281 38.000 0.038 0.000 1.526 90 I HN 0.401 nan 8.210 nan 0.000 0.454 91 F N 0.213 120.177 119.950 0.022 0.000 2.838 91 F HA 0.621 5.148 4.527 0.001 0.000 0.329 91 F C 0.588 176.401 175.800 0.021 0.000 1.116 91 F CA -1.005 57.002 58.000 0.012 0.000 1.155 91 F CB -1.079 37.935 39.000 0.025 0.000 1.106 91 F HN -0.138 nan 8.300 nan 0.000 0.538 92 G N 0.889 109.611 108.800 -0.130 0.000 2.535 92 G HA2 0.247 4.207 3.960 0.001 0.000 0.282 92 G HA3 0.247 4.207 3.960 0.001 0.000 0.282 92 G C 0.735 175.655 174.900 0.035 0.000 1.350 92 G CA -0.242 44.831 45.100 -0.045 0.000 1.039 92 G HN 0.241 nan 8.290 nan 0.000 0.509 93 R N -1.303 119.221 120.500 0.040 0.000 2.094 93 R HA -0.220 4.120 4.340 0.001 0.000 0.239 93 R C 2.176 178.515 176.300 0.065 0.000 1.137 93 R CA 2.283 58.414 56.100 0.052 0.000 0.943 93 R CB -1.261 29.069 30.300 0.050 0.000 0.850 93 R HN 0.611 nan 8.270 nan 0.000 0.433 94 Y N 0.385 120.658 120.300 -0.046 0.000 2.097 94 Y HA -0.181 4.370 4.550 0.001 0.000 0.282 94 Y C 2.120 177.989 175.900 -0.051 0.000 1.152 94 Y CA 1.960 60.029 58.100 -0.052 0.000 1.136 94 Y CB -0.946 37.472 38.460 -0.071 0.000 0.975 94 Y HN 0.214 nan 8.280 nan 0.000 0.498 95 A N 0.644 123.421 122.820 -0.072 0.000 1.883 95 A HA -0.239 4.081 4.320 0.001 0.000 0.217 95 A C 2.353 179.854 177.584 -0.138 0.000 1.186 95 A CA 2.086 54.037 52.037 -0.144 0.000 0.624 95 A CB -0.709 18.267 19.000 -0.040 0.000 0.822 95 A HN 0.552 nan 8.150 nan 0.000 0.444 96 R N -0.677 119.784 120.500 -0.065 0.000 2.091 96 R HA -0.124 4.217 4.340 0.001 0.000 0.238 96 R C 2.080 178.329 176.300 -0.085 0.000 1.136 96 R CA 1.398 57.469 56.100 -0.048 0.000 0.959 96 R CB -0.351 29.948 30.300 -0.001 0.000 0.856 96 R HN 0.502 nan 8.270 nan 0.000 0.437 97 E N 0.839 120.972 120.200 -0.110 0.000 2.072 97 E HA -0.134 4.216 4.350 0.001 0.000 0.191 97 E C 1.897 178.393 176.600 -0.173 0.000 0.985 97 E CA 0.993 57.322 56.400 -0.117 0.000 0.801 97 E CB -0.062 29.581 29.700 -0.095 0.000 0.750 97 E HN 0.147 nan 8.360 nan 0.000 0.452 98 K N 0.688 120.905 120.400 -0.306 0.000 2.097 98 K HA -0.054 4.266 4.320 0.001 0.000 0.206 98 K C 2.321 178.817 176.600 -0.173 0.000 1.049 98 K CA 0.633 56.736 56.287 -0.308 0.000 0.933 98 K CB -0.438 31.762 32.500 -0.501 0.000 0.717 98 K HN 0.234 nan 8.250 nan 0.000 0.442 99 I N 1.006 121.489 120.570 -0.145 0.000 2.252 99 I HA -0.267 3.904 4.170 0.001 0.000 0.245 99 I C 2.131 178.205 176.117 -0.072 0.000 1.102 99 I CA 1.261 62.508 61.300 -0.089 0.000 1.385 99 I CB -0.185 37.774 38.000 -0.069 0.000 1.064 99 I HN 0.139 nan 8.210 nan 0.000 0.414 100 K N 0.755 121.112 120.400 -0.072 0.000 2.209 100 K HA -0.162 4.158 4.320 0.001 0.000 0.204 100 K C 1.662 178.231 176.600 -0.052 0.000 1.048 100 K CA 1.174 57.427 56.287 -0.056 0.000 0.940 100 K CB -0.094 32.377 32.500 -0.049 0.000 0.729 100 K HN 0.423 nan 8.250 nan 0.000 0.451 101 E N 0.700 120.864 120.200 -0.060 0.000 2.482 101 E HA 0.001 4.351 4.350 0.001 0.000 0.196 101 E C 0.014 176.591 176.600 -0.037 0.000 1.047 101 E CA -0.047 56.325 56.400 -0.046 0.000 0.869 101 E CB 0.057 29.726 29.700 -0.052 0.000 0.836 101 E HN 0.228 nan 8.360 nan 0.000 0.520 102 L N 2.263 123.460 121.223 -0.043 0.000 2.453 102 L HA 0.049 4.390 4.340 0.001 0.000 0.272 102 L C 0.484 177.335 176.870 -0.030 0.000 1.182 102 L CA 0.441 55.261 54.840 -0.032 0.000 0.858 102 L CB 0.393 42.430 42.059 -0.037 0.000 1.120 102 L HN -0.072 nan 8.230 nan 0.000 0.474 103 K N 1.502 121.890 120.400 -0.021 0.000 2.139 103 K HA 0.346 4.666 4.320 0.001 0.000 0.243 103 K C -0.037 176.546 176.600 -0.029 0.000 0.983 103 K CA -0.731 55.542 56.287 -0.023 0.000 0.890 103 K CB 1.476 33.971 32.500 -0.008 0.000 1.090 103 K HN 0.657 nan 8.250 nan 0.000 0.445 104 S N -0.032 115.639 115.700 -0.047 0.000 2.558 104 S HA 0.185 4.655 4.470 0.001 0.000 0.293 104 S C 1.136 175.730 174.600 -0.010 0.000 1.292 104 S CA 0.255 58.421 58.200 -0.057 0.000 1.063 104 S CB 0.284 63.416 63.200 -0.114 0.000 0.831 104 S HN 0.956 nan 8.310 nan 0.000 0.499 105 G N 1.758 110.556 108.800 -0.003 0.000 2.225 105 G HA2 -0.229 3.731 3.960 0.001 0.000 0.254 105 G HA3 -0.229 3.731 3.960 0.001 0.000 0.254 105 G C -0.177 174.727 174.900 0.007 0.000 0.988 105 G CA 0.244 45.351 45.100 0.010 0.000 0.625 105 G HN 0.819 nan 8.290 nan 0.000 0.527 106 E N -0.188 120.012 120.200 0.001 0.000 2.319 106 E HA 0.570 4.920 4.350 0.001 0.000 0.268 106 E C -0.331 176.262 176.600 -0.011 0.000 1.050 106 E CA -0.509 55.894 56.400 0.004 0.000 0.878 106 E CB 2.295 31.999 29.700 0.008 0.000 1.066 106 E HN 0.155 nan 8.360 nan 0.000 0.406 107 V N 1.032 120.937 119.914 -0.015 0.000 2.735 107 V HA 0.735 4.855 4.120 0.001 0.000 0.310 107 V C -0.490 175.576 176.094 -0.047 0.000 1.061 107 V CA -0.667 61.615 62.300 -0.030 0.000 0.913 107 V CB 1.667 33.474 31.823 -0.027 0.000 1.005 107 V HN 0.822 nan 8.190 nan 0.000 0.428 108 A N 4.030 126.827 122.820 -0.038 0.000 2.566 108 A HA 0.959 5.279 4.320 0.001 0.000 0.292 108 A C -1.444 176.134 177.584 -0.010 0.000 1.112 108 A CA -0.596 51.418 52.037 -0.038 0.000 0.707 108 A CB 1.853 20.829 19.000 -0.039 0.000 1.302 108 A HN 0.920 nan 8.150 nan 0.000 0.409 109 I N 1.069 121.646 120.570 0.012 0.000 2.582 109 I HA 0.535 4.706 4.170 0.001 0.000 0.292 109 I C -1.051 175.089 176.117 0.039 0.000 1.066 109 I CA -0.971 60.353 61.300 0.040 0.000 1.053 109 I CB 1.336 39.379 38.000 0.071 0.000 1.241 109 I HN 0.698 nan 8.210 nan 0.000 0.421 110 L N 4.298 125.545 121.223 0.040 0.000 2.479 110 L HA 0.359 4.699 4.340 0.001 0.000 0.249 110 L C 0.326 177.181 176.870 -0.024 0.000 1.178 110 L CA -0.448 54.395 54.840 0.006 0.000 0.811 110 L CB 0.406 42.506 42.059 0.068 0.000 1.187 110 L HN 0.585 nan 8.230 nan 0.000 0.480 111 E N 0.892 121.036 120.200 -0.094 0.000 2.409 111 E HA -0.054 4.296 4.350 0.001 0.000 0.257 111 E C -0.125 176.307 176.600 -0.279 0.000 1.150 111 E CA -0.330 55.956 56.400 -0.189 0.000 0.942 111 E CB 0.358 29.901 29.700 -0.262 0.000 0.979 111 E HN 0.397 nan 8.360 nan 0.000 0.447 112 N N 3.001 121.364 118.700 -0.563 0.000 2.256 112 N HA -0.139 4.602 4.740 0.001 0.000 0.277 112 N C 0.719 176.106 175.510 -0.206 0.000 1.362 112 N CA 0.493 53.251 53.050 -0.487 0.000 0.861 112 N CB 0.115 38.095 38.487 -0.845 0.000 1.136 112 N HN 0.597 nan 8.380 nan 0.000 0.492 113 L N 3.486 124.720 121.223 0.018 0.000 2.127 113 L HA -0.150 4.190 4.340 0.001 0.000 0.211 113 L C 1.845 178.854 176.870 0.232 0.000 1.089 113 L CA 1.120 56.054 54.840 0.157 0.000 0.757 113 L CB -0.175 42.015 42.059 0.219 0.000 0.899 113 L HN 0.514 nan 8.230 nan 0.000 0.434 114 R N -0.945 119.729 120.500 0.289 0.000 2.340 114 R HA -0.023 4.317 4.340 0.001 0.000 0.215 114 R C 1.280 177.934 176.300 0.591 0.000 1.017 114 R CA 0.036 56.375 56.100 0.398 0.000 1.111 114 R CB 0.008 30.568 30.300 0.434 0.000 1.049 114 R HN 0.180 nan 8.270 nan 0.000 0.490 115 F N -0.042 120.023 119.950 0.191 0.000 2.664 115 F HA 0.066 4.594 4.527 0.001 0.000 0.296 115 F C 1.461 177.350 175.800 0.148 0.000 1.125 115 F CA -0.001 58.093 58.000 0.156 0.000 1.444 115 F CB 0.006 39.020 39.000 0.024 0.000 1.114 115 F HN -0.186 nan 8.300 nan 0.000 0.576 116 S N 0.253 116.164 115.700 0.352 0.000 2.523 116 S HA 0.492 4.962 4.470 0.001 0.000 0.275 116 S C 1.247 175.990 174.600 0.238 0.000 1.281 116 S CA -0.045 58.332 58.200 0.296 0.000 1.050 116 S CB 1.376 64.796 63.200 0.367 0.000 0.937 116 S HN 0.223 nan 8.310 nan 0.000 0.492 117 A N 4.409 127.350 122.820 0.201 0.000 1.969 117 A HA -0.014 4.307 4.320 0.001 0.000 0.218 117 A C 1.924 179.585 177.584 0.128 0.000 1.169 117 A CA 1.453 53.579 52.037 0.149 0.000 0.635 117 A CB -0.607 18.468 19.000 0.125 0.000 0.810 117 A HN 0.951 nan 8.150 nan 0.000 0.445 118 E N -0.714 119.572 120.200 0.144 0.000 2.072 118 E HA -0.192 4.159 4.350 0.001 0.000 0.190 118 E C 2.004 178.646 176.600 0.071 0.000 0.982 118 E CA 1.110 57.563 56.400 0.089 0.000 0.803 118 E CB -0.111 29.628 29.700 0.065 0.000 0.755 118 E HN 0.671 nan 8.360 nan 0.000 0.453 119 E N 0.920 121.186 120.200 0.110 0.000 2.118 119 E HA -0.181 4.169 4.350 0.001 0.000 0.195 119 E C 2.063 178.701 176.600 0.063 0.000 0.992 119 E CA 1.520 57.977 56.400 0.096 0.000 0.804 119 E CB -0.128 29.665 29.700 0.156 0.000 0.741 119 E HN 0.239 nan 8.360 nan 0.000 0.458 120 V N -1.521 118.441 119.914 0.080 0.000 2.913 120 V HA -0.017 4.103 4.120 0.001 0.000 0.260 120 V C 0.606 176.709 176.094 0.016 0.000 1.098 120 V CA 0.799 63.129 62.300 0.050 0.000 1.121 120 V CB -0.566 31.299 31.823 0.070 0.000 0.714 120 V HN -0.048 nan 8.190 nan 0.000 0.487 121 K N 2.405 122.814 120.400 0.016 0.000 2.143 121 K HA 0.391 4.711 4.320 0.001 0.000 0.272 121 K C -0.571 176.018 176.600 -0.019 0.000 1.001 121 K CA -0.348 55.939 56.287 -0.000 0.000 0.915 121 K CB 0.644 33.148 32.500 0.006 0.000 1.047 121 K HN 0.313 nan 8.250 nan 0.000 0.458 122 N N 3.222 121.905 118.700 -0.028 0.000 2.414 122 N HA 0.179 4.920 4.740 0.001 0.000 0.256 122 N C -0.388 175.106 175.510 -0.027 0.000 1.029 122 N CA -0.116 52.911 53.050 -0.038 0.000 0.948 122 N CB 1.071 39.530 38.487 -0.047 0.000 1.102 122 N HN 0.209 nan 8.380 nan 0.000 0.496 123 K N 1.697 122.080 120.400 -0.028 0.000 2.509 123 K HA 0.560 4.880 4.320 0.001 0.000 0.266 123 K C -2.635 173.950 176.600 -0.026 0.000 0.987 123 K CA -1.786 54.485 56.287 -0.027 0.000 0.868 123 K CB 1.603 34.084 32.500 -0.031 0.000 1.421 123 K HN 0.163 nan 8.250 nan 0.000 0.444 124 P HA 0.227 nan 4.420 nan 0.000 0.269 124 P C 0.984 178.268 177.300 -0.027 0.000 1.215 124 P CA -0.137 62.951 63.100 -0.021 0.000 0.780 124 P CB 0.487 32.176 31.700 -0.020 0.000 0.898 125 I N 0.961 121.521 120.570 -0.018 0.000 2.248 125 I HA -0.321 3.850 4.170 0.001 0.000 0.248 125 I C 1.697 177.792 176.117 -0.037 0.000 1.107 125 I CA 1.787 63.075 61.300 -0.020 0.000 1.373 125 I CB -0.450 37.552 38.000 0.004 0.000 1.055 125 I HN 0.463 nan 8.210 nan 0.000 0.418 126 E N 0.572 120.752 120.200 -0.033 0.000 2.209 126 E HA -0.216 4.135 4.350 0.001 0.000 0.196 126 E C 1.971 178.535 176.600 -0.061 0.000 0.993 126 E CA 1.097 57.472 56.400 -0.042 0.000 0.819 126 E CB -0.064 29.616 29.700 -0.033 0.000 0.745 126 E HN 0.549 nan 8.360 nan 0.000 0.477 127 E N -0.693 119.471 120.200 -0.061 0.000 2.166 127 E HA -0.016 4.334 4.350 0.001 0.000 0.192 127 E C 1.968 178.507 176.600 -0.101 0.000 0.967 127 E CA 0.478 56.834 56.400 -0.075 0.000 0.840 127 E CB -0.001 29.666 29.700 -0.056 0.000 0.795 127 E HN 0.249 nan 8.360 nan 0.000 0.470 128 C N 2.117 121.360 119.300 -0.095 0.000 2.425 128 C HA -0.116 4.345 4.460 0.001 0.000 0.277 128 C C 2.546 177.421 174.990 -0.193 0.000 1.280 128 C CA 1.367 60.309 59.018 -0.127 0.000 1.744 128 C CB -0.973 26.708 27.740 -0.099 0.000 1.989 128 C HN 0.558 nan 8.230 nan 0.000 0.491 129 E N 0.981 121.081 120.200 -0.167 0.000 2.338 129 E HA -0.174 4.176 4.350 0.001 0.000 0.197 129 E C 1.401 177.870 176.600 -0.218 0.000 1.007 129 E CA 0.980 57.262 56.400 -0.197 0.000 0.849 129 E CB -0.267 29.365 29.700 -0.114 0.000 0.774 129 E HN 0.601 nan 8.360 nan 0.000 0.506 130 K N 1.410 121.684 120.400 -0.210 0.000 2.374 130 K HA 0.056 4.377 4.320 0.001 0.000 0.196 130 K C 0.409 176.797 176.600 -0.353 0.000 1.023 130 K CA 0.408 56.546 56.287 -0.249 0.000 1.103 130 K CB 0.696 33.077 32.500 -0.198 0.000 0.848 130 K HN 0.222 nan 8.250 nan 0.000 0.528 131 T N -1.981 112.374 114.554 -0.331 0.000 2.860 131 T HA 0.089 4.440 4.350 0.001 0.000 0.299 131 T C 0.911 175.326 174.700 -0.474 0.000 1.045 131 T CA -0.387 61.501 62.100 -0.354 0.000 1.071 131 T CB 0.405 69.122 68.868 -0.252 0.000 0.985 131 T HN -0.074 nan 8.240 nan 0.000 0.537 132 F N 0.268 120.009 119.950 -0.348 0.000 2.234 132 F HA 0.090 4.617 4.527 0.001 0.000 0.299 132 F C 2.181 177.400 175.800 -0.968 0.000 1.087 132 F CA 0.605 58.307 58.000 -0.496 0.000 1.340 132 F CB -0.636 38.146 39.000 -0.363 0.000 1.031 132 F HN 0.528 nan 8.300 nan 0.000 0.500 133 L N -0.532 120.131 121.223 -0.934 0.000 1.989 133 L HA -0.226 4.114 4.340 0.001 0.000 0.211 133 L C 2.277 178.841 176.870 -0.509 0.000 1.071 133 L CA 1.359 55.617 54.840 -0.971 0.000 0.749 133 L CB -0.497 41.340 42.059 -0.370 0.000 0.890 133 L HN -0.070 nan 8.230 nan 0.000 0.431 134 V N 0.073 119.675 119.914 -0.519 0.000 2.261 134 V HA -0.299 3.821 4.120 0.001 0.000 0.246 134 V C 2.575 178.458 176.094 -0.352 0.000 1.047 134 V CA 2.200 64.092 62.300 -0.680 0.000 1.015 134 V CB -0.632 30.707 31.823 -0.807 0.000 0.642 134 V HN 0.443 nan 8.190 nan 0.000 0.446 135 K N -0.023 120.197 120.400 -0.301 0.000 2.063 135 K HA -0.215 4.105 4.320 0.001 0.000 0.208 135 K C 2.239 178.794 176.600 -0.074 0.000 1.048 135 K CA 1.623 57.807 56.287 -0.172 0.000 0.928 135 K CB -0.220 32.157 32.500 -0.204 0.000 0.713 135 K HN 0.420 nan 8.250 nan 0.000 0.442 136 K N 0.591 120.947 120.400 -0.073 0.000 2.116 136 K HA -0.009 4.311 4.320 0.001 0.000 0.203 136 K C 2.077 178.709 176.600 0.054 0.000 1.052 136 K CA 0.725 57.033 56.287 0.036 0.000 0.952 136 K CB 0.045 32.629 32.500 0.139 0.000 0.729 136 K HN 0.057 nan 8.250 nan 0.000 0.446 137 L N 0.591 121.841 121.223 0.046 0.000 2.156 137 L HA -0.110 4.231 4.340 0.001 0.000 0.208 137 L C 2.174 179.084 176.870 0.066 0.000 1.095 137 L CA 0.743 55.612 54.840 0.050 0.000 0.770 137 L CB -0.175 41.899 42.059 0.025 0.000 0.914 137 L HN 0.087 nan 8.230 nan 0.000 0.439 138 S N -0.153 115.635 115.700 0.147 0.000 2.419 138 S HA -0.186 4.285 4.470 0.001 0.000 0.235 138 S C 1.841 176.459 174.600 0.031 0.000 1.019 138 S CA 1.205 59.482 58.200 0.130 0.000 0.982 138 S CB -0.108 63.163 63.200 0.119 0.000 0.789 138 S HN 0.375 nan 8.310 nan 0.000 0.490 139 K N 0.797 121.209 120.400 0.019 0.000 2.283 139 K HA -0.015 4.305 4.320 0.001 0.000 0.202 139 K C 1.474 178.064 176.600 -0.017 0.000 1.048 139 K CA 1.207 57.495 56.287 0.002 0.000 0.948 139 K CB 0.017 32.525 32.500 0.013 0.000 0.742 139 K HN 0.455 nan 8.250 nan 0.000 0.458 140 V N -1.375 118.524 119.914 -0.025 0.000 3.380 140 V HA 0.308 4.428 4.120 0.001 0.000 0.307 140 V C 0.194 176.247 176.094 -0.068 0.000 1.434 140 V CA -0.681 61.593 62.300 -0.043 0.000 1.075 140 V CB -0.650 31.152 31.823 -0.036 0.000 0.954 140 V HN 0.140 nan 8.190 nan 0.000 0.444 141 I N -3.511 117.008 120.570 -0.086 0.000 2.785 141 I HA 0.679 4.849 4.170 0.001 0.000 0.302 141 I C 0.105 176.116 176.117 -0.177 0.000 1.069 141 I CA -0.581 60.647 61.300 -0.120 0.000 1.045 141 I CB 2.434 40.347 38.000 -0.145 0.000 1.236 141 I HN -0.194 nan 8.210 nan 0.000 0.429 142 D N 2.358 122.608 120.400 -0.249 0.000 2.369 142 D HA 0.107 4.748 4.640 0.001 0.000 0.231 142 D C -0.404 175.487 176.300 -0.681 0.000 0.967 142 D CA 1.673 55.368 54.000 -0.508 0.000 0.905 142 D CB 0.254 40.670 40.800 -0.639 0.000 1.044 142 D HN 0.478 nan 8.370 nan 0.000 0.487 143 Y N -0.525 119.696 120.300 -0.131 0.000 2.634 143 Y HA 0.497 5.047 4.550 0.001 0.000 0.340 143 Y C -0.274 175.511 175.900 -0.191 0.000 1.058 143 Y CA -1.174 56.805 58.100 -0.201 0.000 1.081 143 Y CB 1.855 40.211 38.460 -0.173 0.000 1.295 143 Y HN -0.423 nan 8.280 nan 0.000 0.487 144 V N 2.294 122.196 119.914 -0.020 0.000 2.483 144 V HA 0.483 4.604 4.120 0.001 0.000 0.297 144 V C -1.003 175.026 176.094 -0.108 0.000 1.027 144 V CA -0.847 61.403 62.300 -0.084 0.000 0.855 144 V CB 1.633 33.414 31.823 -0.070 0.000 0.995 144 V HN 0.523 nan 8.190 nan 0.000 0.424 145 V N 4.776 124.578 119.914 -0.188 0.000 2.347 145 V HA 0.440 4.560 4.120 0.001 0.000 0.280 145 V C -0.017 175.966 176.094 -0.185 0.000 1.021 145 V CA -0.581 61.599 62.300 -0.200 0.000 0.847 145 V CB 1.706 33.349 31.823 -0.300 0.000 0.990 145 V HN 0.835 nan 8.190 nan 0.000 0.444 146 N N 3.555 122.198 118.700 -0.096 0.000 2.469 146 N HA 0.282 5.023 4.740 0.001 0.000 0.253 146 N C -0.333 175.157 175.510 -0.033 0.000 0.970 146 N CA -0.166 52.848 53.050 -0.059 0.000 0.940 146 N CB 1.730 40.228 38.487 0.020 0.000 1.128 146 N HN 0.592 nan 8.380 nan 0.000 0.503 147 D N 1.750 122.122 120.400 -0.045 0.000 2.479 147 D HA 0.248 4.888 4.640 0.001 0.000 0.218 147 D C 0.017 176.348 176.300 0.052 0.000 1.177 147 D CA -0.074 53.926 54.000 0.000 0.000 0.830 147 D CB 0.391 41.169 40.800 -0.036 0.000 1.014 147 D HN 0.554 nan 8.370 nan 0.000 0.503 148 A N 0.638 123.487 122.820 0.049 0.000 3.077 148 A HA 0.114 4.434 4.320 0.001 0.000 0.255 148 A C 1.079 178.725 177.584 0.104 0.000 1.728 148 A CA -0.427 51.655 52.037 0.075 0.000 1.383 148 A CB -1.265 17.772 19.000 0.061 0.000 1.097 148 A HN 0.264 nan 8.150 nan 0.000 0.634 149 F N 1.705 121.682 119.950 0.043 0.000 2.161 149 F HA -0.180 4.348 4.527 0.001 0.000 0.300 149 F C 2.153 178.002 175.800 0.082 0.000 1.089 149 F CA 1.771 59.800 58.000 0.049 0.000 1.282 149 F CB -0.155 38.861 39.000 0.027 0.000 1.010 149 F HN 0.449 nan 8.300 nan 0.000 0.485 150 A N -0.977 121.822 122.820 -0.035 0.000 2.125 150 A HA -0.116 4.204 4.320 0.001 0.000 0.219 150 A C 1.715 179.314 177.584 0.025 0.000 1.156 150 A CA 1.881 53.885 52.037 -0.055 0.000 0.671 150 A CB -1.166 17.895 19.000 0.101 0.000 0.794 150 A HN 0.452 nan 8.150 nan 0.000 0.459 151 T N -1.778 112.800 114.554 0.040 0.000 3.132 151 T HA 0.472 4.822 4.350 0.001 0.000 0.274 151 T C 1.483 176.193 174.700 0.016 0.000 1.011 151 T CA 0.329 62.470 62.100 0.068 0.000 0.899 151 T CB 0.556 69.448 68.868 0.041 0.000 1.089 151 T HN 0.446 nan 8.240 nan 0.000 0.543 152 A N 2.521 125.319 122.820 -0.037 0.000 2.125 152 A HA -0.154 4.166 4.320 0.001 0.000 0.219 152 A C 2.026 179.631 177.584 0.035 0.000 1.156 152 A CA 1.235 53.238 52.037 -0.056 0.000 0.671 152 A CB -0.700 18.170 19.000 -0.217 0.000 0.794 152 A HN 0.764 nan 8.150 nan 0.000 0.459 153 H N -1.452 117.532 119.070 -0.143 0.000 2.539 153 H HA 0.227 4.784 4.556 0.001 0.000 0.267 153 H C 0.065 175.361 175.328 -0.054 0.000 0.982 153 H CA -0.017 55.983 56.048 -0.080 0.000 1.146 153 H CB -0.214 29.504 29.762 -0.073 0.000 1.382 153 H HN 0.158 nan 8.280 nan 0.000 0.577 154 R N 0.802 121.115 120.500 -0.312 0.000 2.486 154 R HA 0.266 4.606 4.340 0.001 0.000 0.286 154 R C -0.249 175.979 176.300 -0.121 0.000 0.999 154 R CA -0.471 55.462 56.100 -0.278 0.000 0.993 154 R CB 1.535 31.632 30.300 -0.339 0.000 1.084 154 R HN 0.147 nan 8.270 nan 0.000 0.487 155 S N 2.479 118.126 115.700 -0.090 0.000 2.497 155 S HA 0.185 4.656 4.470 0.001 0.000 0.193 155 S C -0.578 173.997 174.600 -0.042 0.000 1.360 155 S CA -0.470 57.703 58.200 -0.045 0.000 1.204 155 S CB -0.026 63.156 63.200 -0.030 0.000 1.171 155 S HN 0.376 nan 8.310 nan 0.000 0.502 156 Q N 2.506 122.280 119.800 -0.043 0.000 2.235 156 Q HA 0.355 4.695 4.340 0.001 0.000 0.256 156 Q C -1.553 174.445 176.000 -0.002 0.000 0.951 156 Q CA -2.409 53.376 55.803 -0.029 0.000 0.890 156 Q CB 1.287 29.996 28.738 -0.048 0.000 1.279 156 Q HN 0.243 nan 8.270 nan 0.000 0.444 157 P HA -0.332 nan 4.420 nan 0.000 0.217 157 P C 1.178 178.478 177.300 0.001 0.000 1.158 157 P CA 2.188 65.256 63.100 -0.054 0.000 0.887 157 P CB 0.058 31.701 31.700 -0.094 0.000 0.792 158 S N -1.080 114.700 115.700 0.134 0.000 2.447 158 S HA -0.069 4.401 4.470 0.001 0.000 0.233 158 S C 2.111 176.969 174.600 0.430 0.000 1.006 158 S CA 0.769 59.205 58.200 0.394 0.000 0.957 158 S CB -1.386 62.078 63.200 0.439 0.000 0.773 158 S HN 0.108 nan 8.310 nan 0.000 0.507 159 L N 0.878 122.235 121.223 0.223 0.000 2.168 159 L HA 0.151 4.492 4.340 0.001 0.000 0.203 159 L C 2.466 179.438 176.870 0.169 0.000 1.078 159 L CA 0.930 55.872 54.840 0.170 0.000 0.780 159 L CB -0.156 41.947 42.059 0.073 0.000 0.939 159 L HN 0.462 nan 8.230 nan 0.000 0.451 160 V N -5.555 114.434 119.914 0.125 0.000 3.562 160 V HA 0.368 4.488 4.120 0.001 0.000 0.270 160 V C 1.991 178.138 176.094 0.087 0.000 1.418 160 V CA 0.566 62.930 62.300 0.108 0.000 1.033 160 V CB -0.280 31.577 31.823 0.056 0.000 0.820 160 V HN 0.206 nan 8.190 nan 0.000 0.441 161 G N 0.523 109.331 108.800 0.013 0.000 2.462 161 G HA2 -0.175 3.786 3.960 0.001 0.000 0.220 161 G HA3 -0.175 3.786 3.960 0.001 0.000 0.220 161 G C 1.172 175.967 174.900 -0.175 0.000 1.121 161 G CA 1.256 46.269 45.100 -0.145 0.000 0.758 161 G HN 0.554 nan 8.290 nan 0.000 0.559 162 F N 1.233 121.227 119.950 0.073 0.000 2.743 162 F HA 0.339 4.867 4.527 0.001 0.000 0.297 162 F C 2.746 178.633 175.800 0.145 0.000 1.131 162 F CA 0.036 58.089 58.000 0.087 0.000 1.426 162 F CB -0.062 38.999 39.000 0.102 0.000 1.116 162 F HN 0.203 nan 8.300 nan 0.000 0.583 163 A N 1.150 124.156 122.820 0.309 0.000 1.909 163 A HA -0.300 4.020 4.320 0.001 0.000 0.221 163 A C 2.189 180.000 177.584 0.378 0.000 1.223 163 A CA 2.289 54.507 52.037 0.303 0.000 0.658 163 A CB -0.698 18.424 19.000 0.204 0.000 0.831 163 A HN 0.423 nan 8.150 nan 0.000 0.462 164 R N -1.326 119.336 120.500 0.270 0.000 2.317 164 R HA 0.392 4.733 4.340 0.001 0.000 0.208 164 R C 1.225 177.736 176.300 0.352 0.000 0.914 164 R CA 0.473 56.710 56.100 0.229 0.000 1.060 164 R CB 0.022 30.366 30.300 0.074 0.000 1.015 164 R HN 0.621 nan 8.270 nan 0.000 0.498 165 I N -0.454 120.356 120.570 0.399 0.000 3.445 165 I HA 0.062 4.233 4.170 0.001 0.000 0.288 165 I C 0.233 176.542 176.117 0.320 0.000 1.198 165 I CA 0.527 62.033 61.300 0.343 0.000 1.417 165 I CB 0.382 38.501 38.000 0.198 0.000 1.205 165 I HN -0.135 nan 8.210 nan 0.000 0.448 166 K N 0.885 121.414 120.400 0.215 0.000 2.469 166 K HA 0.441 4.761 4.320 0.001 0.000 0.254 166 K C -2.740 173.674 176.600 -0.310 0.000 0.939 166 K CA -2.079 54.100 56.287 -0.180 0.000 0.812 166 K CB 1.622 34.091 32.500 -0.051 0.000 1.301 166 K HN -0.360 nan 8.250 nan 0.000 0.433 167 P HA 0.129 nan 4.420 nan 0.000 0.266 167 P C -0.527 176.734 177.300 -0.065 0.000 1.215 167 P CA 0.173 63.067 63.100 -0.343 0.000 0.763 167 P CB 0.343 31.700 31.700 -0.572 0.000 0.806 168 M N 5.481 125.212 119.600 0.217 0.000 2.129 168 M HA 0.390 4.870 4.480 0.001 0.000 0.348 168 M C -1.072 175.370 176.300 0.238 0.000 1.116 168 M CA -0.293 55.115 55.300 0.181 0.000 1.022 168 M CB 0.222 32.966 32.600 0.241 0.000 1.599 168 M HN 0.181 nan 8.290 nan 0.000 0.449 169 I N 4.743 125.359 120.570 0.076 0.000 2.493 169 I HA 0.378 4.549 4.170 0.001 0.000 0.298 169 I C -0.213 175.934 176.117 0.049 0.000 0.998 169 I CA -0.740 60.626 61.300 0.110 0.000 1.137 169 I CB 2.016 39.989 38.000 -0.044 0.000 1.310 169 I HN 0.710 nan 8.210 nan 0.000 0.445 170 M N 3.323 122.967 119.600 0.074 0.000 2.238 170 M HA 0.264 4.744 4.480 0.001 0.000 0.347 170 M C 0.707 176.957 176.300 -0.083 0.000 1.173 170 M CA 0.066 55.374 55.300 0.014 0.000 1.147 170 M CB 0.774 33.392 32.600 0.031 0.000 1.547 170 M HN 0.798 nan 8.290 nan 0.000 0.455 171 G N 0.970 109.708 108.800 -0.103 0.000 2.543 171 G HA2 0.364 4.324 3.960 0.001 0.000 0.290 171 G HA3 0.364 4.324 3.960 0.001 0.000 0.290 171 G C 0.068 174.885 174.900 -0.138 0.000 1.310 171 G CA -0.555 44.418 45.100 -0.211 0.000 1.025 171 G HN 0.648 nan 8.290 nan 0.000 0.502 172 F N -0.622 119.282 119.950 -0.075 0.000 2.186 172 F HA 0.005 4.533 4.527 0.001 0.000 0.299 172 F C 2.467 178.243 175.800 -0.040 0.000 1.090 172 F CA 0.572 58.531 58.000 -0.068 0.000 1.307 172 F CB -0.614 38.342 39.000 -0.074 0.000 1.019 172 F HN 0.266 nan 8.300 nan 0.000 0.489 173 L N -0.210 121.110 121.223 0.162 0.000 2.017 173 L HA -0.200 4.141 4.340 0.001 0.000 0.208 173 L C 2.391 179.293 176.870 0.054 0.000 1.073 173 L CA 1.727 56.625 54.840 0.097 0.000 0.745 173 L CB -0.887 41.223 42.059 0.086 0.000 0.894 173 L HN 0.182 nan 8.230 nan 0.000 0.432 174 M N -0.140 119.497 119.600 0.061 0.000 2.108 174 M HA -0.255 4.225 4.480 0.001 0.000 0.261 174 M C 2.222 178.519 176.300 -0.005 0.000 1.066 174 M CA 2.209 57.545 55.300 0.061 0.000 1.107 174 M CB -0.545 32.104 32.600 0.081 0.000 1.356 174 M HN 0.505 nan 8.290 nan 0.000 0.406 175 E N -0.000 120.209 120.200 0.015 0.000 2.106 175 E HA -0.265 4.085 4.350 0.001 0.000 0.192 175 E C 1.810 178.377 176.600 -0.055 0.000 0.984 175 E CA 1.672 58.071 56.400 -0.002 0.000 0.806 175 E CB -0.191 29.542 29.700 0.055 0.000 0.750 175 E HN 0.755 nan 8.360 nan 0.000 0.458 176 K N -0.052 120.321 120.400 -0.045 0.000 2.228 176 K HA -0.066 4.254 4.320 0.001 0.000 0.202 176 K C 1.810 178.239 176.600 -0.285 0.000 1.051 176 K CA 0.932 57.157 56.287 -0.103 0.000 0.960 176 K CB 0.082 32.575 32.500 -0.012 0.000 0.743 176 K HN 0.007 nan 8.250 nan 0.000 0.458 177 E N 1.371 121.385 120.200 -0.310 0.000 2.028 177 E HA -0.118 4.232 4.350 0.001 0.000 0.191 177 E C 2.140 178.326 176.600 -0.690 0.000 0.988 177 E CA 0.959 56.983 56.400 -0.627 0.000 0.799 177 E CB -0.082 29.000 29.700 -1.030 0.000 0.755 177 E HN 0.316 nan 8.360 nan 0.000 0.447 178 I N 1.413 121.705 120.570 -0.463 0.000 2.226 178 I HA -0.230 3.941 4.170 0.001 0.000 0.245 178 I C 2.481 178.438 176.117 -0.266 0.000 1.100 178 I CA 1.200 62.296 61.300 -0.339 0.000 1.374 178 I CB -1.124 36.793 38.000 -0.138 0.000 1.057 178 I HN 0.217 nan 8.210 nan 0.000 0.413 179 E N 0.950 121.025 120.200 -0.208 0.000 2.077 179 E HA -0.201 4.149 4.350 0.001 0.000 0.193 179 E C 2.303 178.827 176.600 -0.127 0.000 0.989 179 E CA 1.445 57.764 56.400 -0.133 0.000 0.800 179 E CB 0.108 29.747 29.700 -0.102 0.000 0.746 179 E HN 0.426 nan 8.360 nan 0.000 0.452 180 A N 0.610 123.286 122.820 -0.240 0.000 1.873 180 A HA -0.149 4.171 4.320 0.001 0.000 0.215 180 A C 2.076 179.677 177.584 0.028 0.000 1.186 180 A CA 1.108 53.078 52.037 -0.111 0.000 0.616 180 A CB -0.555 18.041 19.000 -0.673 0.000 0.823 180 A HN 0.252 nan 8.150 nan 0.000 0.442 181 L N -0.802 120.296 121.223 -0.209 0.000 2.046 181 L HA -0.144 4.197 4.340 0.001 0.000 0.208 181 L C 2.696 179.611 176.870 0.076 0.000 1.077 181 L CA 1.452 56.198 54.840 -0.157 0.000 0.747 181 L CB -0.599 40.907 42.059 -0.922 0.000 0.896 181 L HN 0.302 nan 8.230 nan 0.000 0.432 182 M N -1.119 118.505 119.600 0.041 0.000 2.117 182 M HA -0.205 4.275 4.480 0.001 0.000 0.262 182 M C 2.447 178.979 176.300 0.387 0.000 1.065 182 M CA 1.435 56.955 55.300 0.367 0.000 1.114 182 M CB -1.011 31.734 32.600 0.241 0.000 1.361 182 M HN 0.231 nan 8.290 nan 0.000 0.408 183 R N 0.125 120.730 120.500 0.174 0.000 2.083 183 R HA -0.129 4.212 4.340 0.001 0.000 0.237 183 R C 2.157 178.515 176.300 0.097 0.000 1.137 183 R CA 1.848 57.961 56.100 0.023 0.000 0.951 183 R CB -0.182 29.950 30.300 -0.280 0.000 0.851 183 R HN 0.328 nan 8.270 nan 0.000 0.434 184 A N -0.263 122.745 122.820 0.313 0.000 1.873 184 A HA -0.198 4.122 4.320 0.001 0.000 0.215 184 A C 2.022 179.853 177.584 0.413 0.000 1.186 184 A CA 1.221 53.505 52.037 0.412 0.000 0.616 184 A CB -0.904 18.415 19.000 0.532 0.000 0.823 184 A HN 0.575 nan 8.150 nan 0.000 0.442 185 Y N -0.958 119.579 120.300 0.396 0.000 2.165 185 Y HA -0.238 4.312 4.550 0.000 0.000 0.286 185 Y C 1.514 177.362 175.900 -0.087 0.000 1.155 185 Y CA 2.000 60.233 58.100 0.221 0.000 1.164 185 Y CB -0.263 38.235 38.460 0.064 0.000 0.978 185 Y HN 0.409 nan 8.280 nan 0.000 0.513 186 Y N -0.641 119.813 120.300 0.258 0.000 2.532 186 Y HA 0.210 4.761 4.550 0.001 0.000 0.283 186 Y C 1.170 177.094 175.900 0.040 0.000 1.181 186 Y CA -0.017 58.147 58.100 0.107 0.000 1.256 186 Y CB -0.084 38.457 38.460 0.134 0.000 1.112 186 Y HN -0.151 nan 8.280 nan 0.000 0.521 187 S N 0.959 116.738 115.700 0.133 0.000 2.558 187 S HA -0.003 4.468 4.470 0.001 0.000 0.288 187 S C 1.136 175.768 174.600 0.053 0.000 1.318 187 S CA -0.095 58.148 58.200 0.071 0.000 1.056 187 S CB 0.635 63.870 63.200 0.058 0.000 0.853 187 S HN 0.496 nan 8.310 nan 0.000 0.505 188 K N 1.918 122.341 120.400 0.039 0.000 2.358 188 K HA 0.145 4.465 4.320 0.001 0.000 0.197 188 K C 0.050 176.663 176.600 0.022 0.000 1.025 188 K CA -0.214 56.091 56.287 0.030 0.000 1.104 188 K CB 0.209 32.724 32.500 0.026 0.000 0.855 188 K HN 0.567 nan 8.250 nan 0.000 0.531 189 D N 0.940 121.354 120.400 0.023 0.000 2.478 189 D HA 0.269 4.909 4.640 0.001 0.000 0.269 189 D C -0.353 175.964 176.300 0.029 0.000 1.232 189 D CA 0.028 54.042 54.000 0.024 0.000 1.059 189 D CB 1.111 41.925 40.800 0.023 0.000 1.104 189 D HN 0.070 nan 8.370 nan 0.000 0.566 190 S N -1.371 114.346 115.700 0.030 0.000 2.622 190 S HA 0.470 4.941 4.470 0.001 0.000 0.275 190 S C -3.028 171.588 174.600 0.027 0.000 1.112 190 S CA -1.241 56.978 58.200 0.032 0.000 0.837 190 S CB 0.909 64.126 63.200 0.030 0.000 1.082 190 S HN 0.175 nan 8.310 nan 0.000 0.456 191 P HA 0.327 nan 4.420 nan 0.000 0.268 191 P C -1.113 176.210 177.300 0.038 0.000 1.204 191 P CA -0.157 62.960 63.100 0.028 0.000 0.768 191 P CB 0.235 31.944 31.700 0.016 0.000 0.842 192 K N 3.453 123.886 120.400 0.055 0.000 2.334 192 K HA 0.388 4.709 4.320 0.001 0.000 0.265 192 K C -0.545 176.128 176.600 0.122 0.000 1.039 192 K CA -0.496 55.845 56.287 0.091 0.000 0.920 192 K CB 0.795 33.366 32.500 0.118 0.000 1.160 192 K HN 0.348 nan 8.250 nan 0.000 0.451 193 I N 3.690 124.300 120.570 0.066 0.000 2.354 193 I HA 0.246 4.416 4.170 0.001 0.000 0.292 193 I C -0.373 175.750 176.117 0.009 0.000 0.989 193 I CA -0.826 60.501 61.300 0.045 0.000 1.188 193 I CB 0.453 38.429 38.000 -0.040 0.000 1.342 193 I HN 0.425 nan 8.210 nan 0.000 0.457 194 Y N 4.744 124.946 120.300 -0.163 0.000 2.360 194 Y HA 0.479 5.030 4.550 0.001 0.000 0.337 194 Y C 0.218 175.997 175.900 -0.202 0.000 1.039 194 Y CA -0.856 57.130 58.100 -0.190 0.000 1.109 194 Y CB 1.959 40.306 38.460 -0.189 0.000 1.201 194 Y HN 0.200 nan 8.280 nan 0.000 0.458 195 V N 5.960 125.807 119.914 -0.111 0.000 2.349 195 V HA 0.370 4.490 4.120 0.001 0.000 0.284 195 V C -0.606 175.457 176.094 -0.052 0.000 1.014 195 V CA -0.833 61.392 62.300 -0.124 0.000 0.826 195 V CB 1.040 32.791 31.823 -0.121 0.000 1.009 195 V HN 0.544 nan 8.190 nan 0.000 0.431 196 L N 4.977 126.185 121.223 -0.025 0.000 2.294 196 L HA 0.832 5.173 4.340 0.001 0.000 0.283 196 L C 0.777 177.684 176.870 0.063 0.000 1.015 196 L CA -0.025 54.836 54.840 0.034 0.000 0.831 196 L CB 1.431 43.526 42.059 0.061 0.000 1.217 196 L HN 0.739 nan 8.230 nan 0.000 0.420 197 G N 1.075 109.920 108.800 0.075 0.000 3.212 197 G HA2 0.799 4.759 3.960 0.001 0.000 0.188 197 G HA3 0.799 4.759 3.960 0.001 0.000 0.188 197 G C -0.072 174.885 174.900 0.096 0.000 1.254 197 G CA -0.362 44.790 45.100 0.087 0.000 0.957 197 G HN 0.882 nan 8.290 nan 0.000 0.596 198 G N -1.908 106.951 108.800 0.098 0.000 2.782 198 G HA2 0.351 4.311 3.960 0.001 0.000 0.228 198 G HA3 0.351 4.311 3.960 0.001 0.000 0.228 198 G C 0.729 175.694 174.900 0.108 0.000 1.372 198 G CA 0.537 45.703 45.100 0.109 0.000 0.862 198 G HN 1.881 nan 8.290 nan 0.000 0.547 199 A N -0.755 122.128 122.820 0.104 0.000 2.390 199 A HA 0.461 4.781 4.320 0.001 0.000 0.232 199 A C 1.212 178.831 177.584 0.057 0.000 1.233 199 A CA 0.978 53.070 52.037 0.092 0.000 0.907 199 A CB 0.067 19.129 19.000 0.103 0.000 0.967 199 A HN 0.519 nan 8.150 nan 0.000 0.512 200 K N 1.107 121.536 120.400 0.048 0.000 2.737 200 K HA 0.235 4.555 4.320 0.001 0.000 0.251 200 K C 0.763 177.341 176.600 -0.037 0.000 1.280 200 K CA -0.302 55.991 56.287 0.010 0.000 1.219 200 K CB 0.155 32.669 32.500 0.023 0.000 1.587 200 K HN 0.215 nan 8.250 nan 0.000 0.279 201 V N 0.809 120.686 119.914 -0.063 0.000 2.252 201 V HA -0.329 3.791 4.120 0.001 0.000 0.249 201 V C 2.386 178.303 176.094 -0.295 0.000 1.056 201 V CA 2.029 64.255 62.300 -0.123 0.000 1.022 201 V CB -0.376 31.408 31.823 -0.066 0.000 0.641 201 V HN 0.683 nan 8.190 nan 0.000 0.445 202 E N 0.046 119.891 120.200 -0.592 0.000 2.038 202 E HA -0.293 4.058 4.350 0.001 0.000 0.195 202 E C 1.934 178.379 176.600 -0.259 0.000 1.000 202 E CA 1.842 57.813 56.400 -0.715 0.000 0.803 202 E CB -0.170 28.969 29.700 -0.935 0.000 0.750 202 E HN 0.630 nan 8.360 nan 0.000 0.448 203 D N -0.203 120.104 120.400 -0.154 0.000 2.178 203 D HA -0.078 4.562 4.640 0.001 0.000 0.202 203 D C 2.098 178.395 176.300 -0.005 0.000 0.974 203 D CA 0.826 54.800 54.000 -0.043 0.000 0.841 203 D CB -0.063 40.731 40.800 -0.010 0.000 0.953 203 D HN 0.097 nan 8.370 nan 0.000 0.478 204 S N 0.567 116.258 115.700 -0.015 0.000 2.383 204 S HA -0.020 4.450 4.470 0.001 0.000 0.227 204 S C 2.209 176.827 174.600 0.030 0.000 1.026 204 S CA 0.328 58.549 58.200 0.036 0.000 0.981 204 S CB -0.045 63.188 63.200 0.055 0.000 0.818 204 S HN 0.258 nan 8.310 nan 0.000 0.472 205 L N 1.102 122.299 121.223 -0.043 0.000 2.141 205 L HA -0.089 4.251 4.340 0.001 0.000 0.209 205 L C 2.345 179.185 176.870 -0.050 0.000 1.094 205 L CA 1.137 55.912 54.840 -0.108 0.000 0.763 205 L CB -0.430 41.425 42.059 -0.340 0.000 0.908 205 L HN 0.269 nan 8.230 nan 0.000 0.437 206 K N -0.440 119.974 120.400 0.023 0.000 2.148 206 K HA -0.103 4.217 4.320 0.001 0.000 0.204 206 K C 2.035 178.668 176.600 0.055 0.000 1.050 206 K CA 0.893 57.227 56.287 0.079 0.000 0.942 206 K CB -0.037 32.508 32.500 0.076 0.000 0.724 206 K HN 0.128 nan 8.250 nan 0.000 0.446 207 V N 0.888 120.836 119.914 0.057 0.000 2.270 207 V HA -0.220 3.900 4.120 0.001 0.000 0.245 207 V C 2.289 178.365 176.094 -0.031 0.000 1.043 207 V CA 1.395 63.738 62.300 0.072 0.000 1.014 207 V CB -0.336 31.572 31.823 0.141 0.000 0.645 207 V HN 0.040 nan 8.190 nan 0.000 0.447 208 V N 0.176 120.067 119.914 -0.038 0.000 2.250 208 V HA -0.395 3.726 4.120 0.001 0.000 0.250 208 V C 2.468 178.437 176.094 -0.208 0.000 1.060 208 V CA 2.700 64.927 62.300 -0.122 0.000 1.030 208 V CB -0.685 31.138 31.823 0.000 0.000 0.643 208 V HN 0.693 nan 8.190 nan 0.000 0.445 209 E N 0.116 120.259 120.200 -0.095 0.000 2.110 209 E HA -0.276 4.075 4.350 0.001 0.000 0.193 209 E C 2.046 178.574 176.600 -0.121 0.000 0.988 209 E CA 1.631 57.990 56.400 -0.069 0.000 0.804 209 E CB -0.166 29.607 29.700 0.122 0.000 0.745 209 E HN 0.678 nan 8.360 nan 0.000 0.458 210 N N -0.119 118.534 118.700 -0.078 0.000 2.080 210 N HA -0.167 4.573 4.740 0.001 0.000 0.189 210 N C 1.969 177.377 175.510 -0.169 0.000 1.036 210 N CA 2.330 55.339 53.050 -0.068 0.000 0.846 210 N CB -0.140 38.350 38.487 0.005 0.000 1.015 210 N HN 0.174 nan 8.380 nan 0.000 0.423 211 V N -0.917 118.844 119.914 -0.255 0.000 2.407 211 V HA -0.090 4.031 4.120 0.001 0.000 0.248 211 V C 2.192 178.002 176.094 -0.473 0.000 1.055 211 V CA 1.418 63.467 62.300 -0.420 0.000 1.049 211 V CB -0.897 30.477 31.823 -0.749 0.000 0.662 211 V HN 0.263 nan 8.190 nan 0.000 0.455 212 L N -0.173 120.709 121.223 -0.569 0.000 2.068 212 L HA -0.009 4.332 4.340 0.001 0.000 0.204 212 L C 3.002 179.501 176.870 -0.618 0.000 1.076 212 L CA 2.021 56.396 54.840 -0.776 0.000 0.753 212 L CB -0.533 40.696 42.059 -1.383 0.000 0.910 212 L HN 0.280 nan 8.230 nan 0.000 0.439 213 R N 0.360 120.591 120.500 -0.449 0.000 2.115 213 R HA -0.087 4.253 4.340 0.001 0.000 0.230 213 R C 1.944 178.207 176.300 -0.062 0.000 1.111 213 R CA 1.124 57.200 56.100 -0.041 0.000 0.976 213 R CB 0.091 30.444 30.300 0.088 0.000 0.870 213 R HN 0.240 nan 8.270 nan 0.000 0.445 214 R N 0.413 120.834 120.500 -0.133 0.000 2.359 214 R HA 0.069 4.410 4.340 0.001 0.000 0.231 214 R C -0.368 175.838 176.300 -0.157 0.000 0.913 214 R CA 0.231 56.261 56.100 -0.115 0.000 1.075 214 R CB 0.342 30.574 30.300 -0.113 0.000 1.087 214 R HN 0.323 nan 8.270 nan 0.000 0.515 215 E N 0.551 120.637 120.200 -0.189 0.000 2.476 215 E HA -0.220 4.130 4.350 0.001 0.000 0.251 215 E C 0.467 176.947 176.600 -0.200 0.000 1.130 215 E CA 0.167 56.461 56.400 -0.177 0.000 0.736 215 E CB -0.447 29.193 29.700 -0.099 0.000 1.298 215 E HN 0.229 nan 8.360 nan 0.000 0.400 216 R N -0.837 119.484 120.500 -0.299 0.000 2.246 216 R HA 0.266 4.606 4.340 0.001 0.000 0.199 216 R C 0.805 176.973 176.300 -0.221 0.000 0.984 216 R CA 1.015 56.919 56.100 -0.326 0.000 1.015 216 R CB 0.480 30.447 30.300 -0.554 0.000 0.930 216 R HN 0.208 nan 8.270 nan 0.000 0.475 217 A N 0.656 123.285 122.820 -0.319 0.000 2.386 217 A HA 0.467 4.787 4.320 0.001 0.000 0.311 217 A C -0.324 177.184 177.584 -0.126 0.000 1.068 217 A CA -0.708 51.173 52.037 -0.260 0.000 0.743 217 A CB 1.572 20.168 19.000 -0.673 0.000 1.258 217 A HN -0.078 nan 8.150 nan 0.000 0.429 218 D N -0.033 120.365 120.400 -0.003 0.000 2.388 218 D HA 0.255 4.895 4.640 0.001 0.000 0.208 218 D C -0.571 175.803 176.300 0.124 0.000 1.035 218 D CA 0.895 54.942 54.000 0.079 0.000 0.875 218 D CB 0.693 41.534 40.800 0.068 0.000 0.984 218 D HN 0.269 nan 8.370 nan 0.000 0.508 219 L N 0.198 121.446 121.223 0.040 0.000 2.556 219 L HA 0.299 4.639 4.340 0.001 0.000 0.257 219 L C -1.651 175.191 176.870 -0.047 0.000 0.955 219 L CA -0.774 54.070 54.840 0.007 0.000 0.850 219 L CB 2.532 44.575 42.059 -0.025 0.000 1.398 219 L HN -0.360 nan 8.230 nan 0.000 0.412 220 V N 4.394 124.245 119.914 -0.105 0.000 2.444 220 V HA 0.551 4.671 4.120 0.001 0.000 0.294 220 V C -0.403 175.553 176.094 -0.230 0.000 1.022 220 V CA -0.583 61.628 62.300 -0.149 0.000 0.850 220 V CB 1.665 33.364 31.823 -0.207 0.000 0.992 220 V HN 0.525 nan 8.190 nan 0.000 0.426 221 L N 4.531 125.581 121.223 -0.288 0.000 2.322 221 L HA 0.798 5.139 4.340 0.001 0.000 0.279 221 L C 0.363 177.037 176.870 -0.327 0.000 1.036 221 L CA -0.368 54.172 54.840 -0.501 0.000 0.807 221 L CB 2.132 43.603 42.059 -0.980 0.000 1.226 221 L HN 0.768 nan 8.230 nan 0.000 0.433 222 T N -1.004 113.447 114.554 -0.173 0.000 2.908 222 T HA 0.863 5.214 4.350 0.001 0.000 0.290 222 T C -0.164 174.637 174.700 0.170 0.000 1.034 222 T CA -0.641 61.467 62.100 0.013 0.000 1.010 222 T CB 2.362 71.255 68.868 0.042 0.000 1.068 222 T HN 0.797 nan 8.240 nan 0.000 0.481 223 G N -0.842 108.047 108.800 0.148 0.000 2.788 223 G HA2 0.752 4.713 3.960 0.001 0.000 0.293 223 G HA3 0.752 4.713 3.960 0.001 0.000 0.293 223 G C 0.351 175.336 174.900 0.142 0.000 1.392 223 G CA -0.078 45.113 45.100 0.151 0.000 0.810 223 G HN 1.586 nan 8.290 nan 0.000 0.508 224 G N -1.026 107.849 108.800 0.124 0.000 2.581 224 G HA2 -0.241 3.720 3.960 0.001 0.000 0.291 224 G HA3 -0.241 3.720 3.960 0.001 0.000 0.291 224 G C 1.219 176.212 174.900 0.155 0.000 1.277 224 G CA 0.499 45.675 45.100 0.126 0.000 0.959 224 G HN 1.189 nan 8.290 nan 0.000 0.554 225 L N 0.126 121.438 121.223 0.148 0.000 2.201 225 L HA -0.060 4.281 4.340 0.001 0.000 0.212 225 L C 3.175 180.131 176.870 0.142 0.000 1.105 225 L CA 1.098 56.028 54.840 0.150 0.000 0.775 225 L CB -0.689 41.458 42.059 0.147 0.000 0.913 225 L HN 0.408 nan 8.230 nan 0.000 0.440 226 V N 0.305 120.309 119.914 0.149 0.000 2.332 226 V HA -0.320 3.800 4.120 0.001 0.000 0.248 226 V C 2.767 179.035 176.094 0.291 0.000 1.055 226 V CA 1.941 64.353 62.300 0.186 0.000 1.038 226 V CB -0.847 31.092 31.823 0.194 0.000 0.651 226 V HN 0.501 nan 8.190 nan 0.000 0.450 227 A N 0.234 123.213 122.820 0.264 0.000 1.898 227 A HA -0.203 4.117 4.320 0.001 0.000 0.216 227 A C 2.053 179.818 177.584 0.301 0.000 1.181 227 A CA 1.951 54.169 52.037 0.302 0.000 0.620 227 A CB -0.666 18.501 19.000 0.278 0.000 0.819 227 A HN 0.578 nan 8.150 nan 0.000 0.442 228 N N 0.208 119.041 118.700 0.222 0.000 2.120 228 N HA -0.123 4.617 4.740 0.001 0.000 0.188 228 N C 1.633 177.215 175.510 0.119 0.000 1.024 228 N CA 1.567 54.691 53.050 0.124 0.000 0.852 228 N CB -0.651 37.871 38.487 0.058 0.000 1.003 228 N HN 0.237 nan 8.380 nan 0.000 0.424 229 V N 0.421 120.398 119.914 0.104 0.000 2.295 229 V HA -0.187 3.933 4.120 0.001 0.000 0.246 229 V C 1.855 177.964 176.094 0.024 0.000 1.049 229 V CA 1.341 63.658 62.300 0.028 0.000 1.024 229 V CB -0.606 31.186 31.823 -0.053 0.000 0.648 229 V HN 0.131 nan 8.190 nan 0.000 0.447 230 F N 0.755 120.759 119.950 0.090 0.000 2.186 230 F HA -0.151 4.377 4.527 0.001 0.000 0.299 230 F C 2.561 178.438 175.800 0.128 0.000 1.090 230 F CA 1.905 59.955 58.000 0.083 0.000 1.307 230 F CB -0.978 38.053 39.000 0.052 0.000 1.019 230 F HN 0.104 nan 8.300 nan 0.000 0.489 231 T N 0.455 115.215 114.554 0.343 0.000 2.821 231 T HA -0.178 4.173 4.350 0.001 0.000 0.267 231 T C 2.183 177.097 174.700 0.357 0.000 1.046 231 T CA 1.185 63.486 62.100 0.334 0.000 1.139 231 T CB -0.487 68.545 68.868 0.274 0.000 0.871 231 T HN 0.255 nan 8.240 nan 0.000 0.454 232 L N 0.765 122.124 121.223 0.226 0.000 2.072 232 L HA 0.060 4.400 4.340 0.001 0.000 0.205 232 L C 2.707 179.678 176.870 0.168 0.000 1.079 232 L CA 1.249 56.194 54.840 0.175 0.000 0.752 232 L CB -0.515 41.601 42.059 0.094 0.000 0.906 232 L HN 0.250 nan 8.230 nan 0.000 0.436 233 A N -0.286 122.626 122.820 0.153 0.000 2.024 233 A HA -0.232 4.088 4.320 0.001 0.000 0.220 233 A C 2.234 179.935 177.584 0.195 0.000 1.164 233 A CA 1.750 53.871 52.037 0.139 0.000 0.643 233 A CB -0.431 18.627 19.000 0.098 0.000 0.806 233 A HN 0.478 nan 8.150 nan 0.000 0.451 234 K N -2.099 118.460 120.400 0.266 0.000 2.288 234 K HA 0.109 4.430 4.320 0.001 0.000 0.201 234 K C 1.275 177.943 176.600 0.113 0.000 1.048 234 K CA 0.707 57.167 56.287 0.288 0.000 0.956 234 K CB -0.037 32.721 32.500 0.429 0.000 0.746 234 K HN 0.647 nan 8.250 nan 0.000 0.461 235 G N 0.137 108.987 108.800 0.084 0.000 2.367 235 G HA2 -0.173 3.787 3.960 0.001 0.000 0.181 235 G HA3 -0.173 3.787 3.960 0.001 0.000 0.181 235 G C -0.015 174.845 174.900 -0.068 0.000 1.000 235 G CA -0.703 44.371 45.100 -0.044 0.000 0.693 235 G HN 0.093 nan 8.290 nan 0.000 0.480 236 F N 1.970 121.976 119.950 0.093 0.000 2.506 236 F HA 0.478 5.005 4.527 0.001 0.000 0.351 236 F C 0.726 176.550 175.800 0.041 0.000 1.136 236 F CA -0.122 57.924 58.000 0.076 0.000 1.298 236 F CB 0.667 39.726 39.000 0.099 0.000 1.145 236 F HN -0.055 nan 8.300 nan 0.000 0.593 237 D N 3.076 123.609 120.400 0.221 0.000 2.347 237 D HA 0.188 4.828 4.640 0.001 0.000 0.235 237 D C 0.345 176.645 176.300 0.000 0.000 1.149 237 D CA -0.032 54.021 54.000 0.089 0.000 0.850 237 D CB 0.846 41.698 40.800 0.088 0.000 1.061 237 D HN 0.490 nan 8.370 nan 0.000 0.487 238 L N 2.995 124.182 121.223 -0.061 0.000 2.592 238 L HA 0.284 4.625 4.340 0.001 0.000 0.227 238 L C 1.191 177.904 176.870 -0.261 0.000 1.127 238 L CA 0.099 54.836 54.840 -0.172 0.000 0.884 238 L CB -0.537 41.417 42.059 -0.175 0.000 1.065 238 L HN 0.642 nan 8.230 nan 0.000 0.457 239 G N 0.479 109.071 108.800 -0.346 0.000 2.705 239 G HA2 -0.217 3.744 3.960 0.001 0.000 0.686 239 G HA3 -0.217 3.744 3.960 0.001 0.000 0.686 239 G C 0.481 175.275 174.900 -0.177 0.000 1.285 239 G CA -0.176 44.609 45.100 -0.525 0.000 0.800 239 G HN 0.125 nan 8.290 nan 0.000 0.611 240 R N 1.491 121.966 120.500 -0.042 0.000 2.083 240 R HA -0.132 4.208 4.340 0.001 0.000 0.237 240 R C 2.502 178.802 176.300 -0.000 0.000 1.137 240 R CA 2.509 58.623 56.100 0.023 0.000 0.951 240 R CB -0.565 29.780 30.300 0.075 0.000 0.851 240 R HN 0.565 nan 8.270 nan 0.000 0.434 241 K N 0.977 121.363 120.400 -0.024 0.000 2.074 241 K HA -0.121 4.199 4.320 0.001 0.000 0.209 241 K C 1.749 178.344 176.600 -0.009 0.000 1.048 241 K CA 2.129 58.396 56.287 -0.033 0.000 0.926 241 K CB -0.237 32.215 32.500 -0.081 0.000 0.713 241 K HN 0.308 nan 8.250 nan 0.000 0.444 242 N N -0.435 118.240 118.700 -0.042 0.000 2.290 242 N HA -0.070 4.671 4.740 0.001 0.000 0.179 242 N C 1.695 177.242 175.510 0.061 0.000 1.016 242 N CA 1.218 54.262 53.050 -0.010 0.000 0.871 242 N CB 0.035 38.457 38.487 -0.108 0.000 0.987 242 N HN 0.017 nan 8.380 nan 0.000 0.431 243 V N 2.138 122.062 119.914 0.017 0.000 2.427 243 V HA -0.156 3.964 4.120 0.001 0.000 0.248 243 V C 2.106 178.227 176.094 0.046 0.000 1.051 243 V CA 1.488 63.804 62.300 0.027 0.000 1.048 243 V CB -0.415 31.413 31.823 0.010 0.000 0.666 243 V HN 0.277 nan 8.190 nan 0.000 0.456 244 E N -0.649 119.586 120.200 0.058 0.000 2.106 244 E HA -0.198 4.153 4.350 0.001 0.000 0.192 244 E C 2.053 178.704 176.600 0.086 0.000 0.984 244 E CA 1.225 57.658 56.400 0.056 0.000 0.806 244 E CB -0.190 29.543 29.700 0.054 0.000 0.750 244 E HN 0.595 nan 8.360 nan 0.000 0.458 245 F N 1.490 121.426 119.950 -0.024 0.000 2.095 245 F HA -0.203 4.324 4.527 0.001 0.000 0.298 245 F C 2.201 177.997 175.800 -0.007 0.000 1.104 245 F CA 1.556 59.545 58.000 -0.017 0.000 1.232 245 F CB -0.160 38.824 39.000 -0.027 0.000 0.987 245 F HN -0.079 nan 8.300 nan 0.000 0.475 246 M N -0.011 119.607 119.600 0.031 0.000 2.117 246 M HA -0.236 4.244 4.480 0.001 0.000 0.262 246 M C 2.355 178.601 176.300 -0.090 0.000 1.065 246 M CA 1.980 57.249 55.300 -0.052 0.000 1.114 246 M CB -0.624 31.995 32.600 0.032 0.000 1.361 246 M HN 0.096 nan 8.290 nan 0.000 0.408 247 K N 1.113 121.481 120.400 -0.052 0.000 2.032 247 K HA -0.235 4.085 4.320 0.001 0.000 0.209 247 K C 1.942 178.490 176.600 -0.087 0.000 1.048 247 K CA 1.703 57.955 56.287 -0.058 0.000 0.927 247 K CB -0.167 32.315 32.500 -0.030 0.000 0.712 247 K HN 0.130 nan 8.250 nan 0.000 0.441 248 K N 0.551 120.887 120.400 -0.107 0.000 2.442 248 K HA -0.101 4.219 4.320 0.001 0.000 0.198 248 K C 0.909 177.412 176.600 -0.162 0.000 1.044 248 K CA 1.167 57.381 56.287 -0.122 0.000 0.948 248 K CB 0.191 32.620 32.500 -0.119 0.000 0.762 248 K HN 0.098 nan 8.250 nan 0.000 0.472 249 K N -1.251 119.032 120.400 -0.195 0.000 2.414 249 K HA 0.107 4.428 4.320 0.001 0.000 0.204 249 K C 0.559 177.117 176.600 -0.071 0.000 1.026 249 K CA 0.437 56.629 56.287 -0.159 0.000 1.108 249 K CB 1.086 33.445 32.500 -0.235 0.000 0.855 249 K HN 0.305 nan 8.250 nan 0.000 0.517 250 G N 1.454 110.202 108.800 -0.087 0.000 2.205 250 G HA2 -0.297 3.663 3.960 0.001 0.000 0.269 250 G HA3 -0.297 3.663 3.960 0.001 0.000 0.269 250 G C 0.768 175.582 174.900 -0.143 0.000 0.977 250 G CA 0.331 45.364 45.100 -0.112 0.000 0.652 250 G HN 0.206 nan 8.290 nan 0.000 0.539 251 L N 0.098 121.306 121.223 -0.023 0.000 2.261 251 L HA 0.067 4.407 4.340 0.001 0.000 0.216 251 L C 2.873 179.749 176.870 0.010 0.000 1.114 251 L CA 1.582 56.486 54.840 0.108 0.000 0.777 251 L CB -0.505 41.605 42.059 0.087 0.000 0.910 251 L HN 0.491 nan 8.230 nan 0.000 0.440 252 L N -0.894 120.283 121.223 -0.078 0.000 2.291 252 L HA -0.149 4.192 4.340 0.001 0.000 0.214 252 L C 1.406 178.187 176.870 -0.149 0.000 1.120 252 L CA 0.578 55.373 54.840 -0.076 0.000 0.799 252 L CB -0.507 41.514 42.059 -0.063 0.000 0.925 252 L HN 0.267 nan 8.230 nan 0.000 0.446 253 D N -0.745 119.458 120.400 -0.328 0.000 2.378 253 D HA -0.116 4.524 4.640 0.001 0.000 0.227 253 D C 1.088 177.081 176.300 -0.512 0.000 1.012 253 D CA 1.076 54.807 54.000 -0.448 0.000 0.905 253 D CB 0.105 40.545 40.800 -0.599 0.000 0.895 253 D HN 0.469 nan 8.370 nan 0.000 0.532 254 Y N -1.194 119.104 120.300 -0.003 0.000 2.471 254 Y HA 0.086 4.637 4.550 0.001 0.000 0.249 254 Y C 2.117 177.999 175.900 -0.030 0.000 1.116 254 Y CA -0.257 57.847 58.100 0.007 0.000 1.240 254 Y CB 0.541 38.993 38.460 -0.015 0.000 1.251 254 Y HN -0.208 nan 8.280 nan 0.000 0.527 255 V N 1.994 121.944 119.914 0.060 0.000 2.392 255 V HA -0.354 3.767 4.120 0.001 0.000 0.249 255 V C 2.241 178.354 176.094 0.031 0.000 1.059 255 V CA 2.445 64.752 62.300 0.011 0.000 1.051 255 V CB -0.606 31.221 31.823 0.007 0.000 0.658 255 V HN 0.470 nan 8.190 nan 0.000 0.455 256 K N 0.173 120.606 120.400 0.054 0.000 1.991 256 K HA -0.294 4.026 4.320 0.001 0.000 0.212 256 K C 2.195 178.877 176.600 0.136 0.000 1.049 256 K CA 2.372 58.702 56.287 0.073 0.000 0.932 256 K CB -0.895 31.636 32.500 0.051 0.000 0.717 256 K HN 0.595 nan 8.250 nan 0.000 0.441 257 H N 0.639 119.734 119.070 0.041 0.000 2.352 257 H HA -0.111 4.446 4.556 0.001 0.000 0.299 257 H C 2.161 177.501 175.328 0.020 0.000 1.097 257 H CA 1.083 57.161 56.048 0.050 0.000 1.311 257 H CB 0.045 29.855 29.762 0.080 0.000 1.377 257 H HN 0.449 nan 8.280 nan 0.000 0.504 258 A N 0.901 123.698 122.820 -0.039 0.000 1.883 258 A HA -0.248 4.073 4.320 0.001 0.000 0.217 258 A C 2.289 179.882 177.584 0.015 0.000 1.186 258 A CA 1.882 53.755 52.037 -0.273 0.000 0.624 258 A CB -0.690 18.010 19.000 -0.500 0.000 0.822 258 A HN 0.714 nan 8.150 nan 0.000 0.444 259 E N -0.095 120.149 120.200 0.074 0.000 2.077 259 E HA -0.233 4.118 4.350 0.001 0.000 0.193 259 E C 1.869 178.571 176.600 0.170 0.000 0.989 259 E CA 1.401 57.885 56.400 0.139 0.000 0.800 259 E CB -0.162 29.604 29.700 0.109 0.000 0.746 259 E HN 0.767 nan 8.360 nan 0.000 0.452 260 E N 0.312 120.613 120.200 0.168 0.000 2.110 260 E HA -0.165 4.186 4.350 0.001 0.000 0.193 260 E C 2.214 178.939 176.600 0.208 0.000 0.988 260 E CA 1.048 57.552 56.400 0.173 0.000 0.804 260 E CB -0.062 29.749 29.700 0.184 0.000 0.745 260 E HN 0.408 nan 8.360 nan 0.000 0.458 261 I N 0.910 121.636 120.570 0.260 0.000 2.353 261 I HA -0.238 3.932 4.170 0.001 0.000 0.248 261 I C 2.293 178.623 176.117 0.355 0.000 1.119 261 I CA 0.813 62.315 61.300 0.337 0.000 1.417 261 I CB -0.107 38.082 38.000 0.314 0.000 1.078 261 I HN 0.117 nan 8.210 nan 0.000 0.421 262 L N 0.270 121.692 121.223 0.332 0.000 2.046 262 L HA -0.235 4.105 4.340 0.001 0.000 0.208 262 L C 2.142 179.220 176.870 0.347 0.000 1.077 262 L CA 1.251 56.281 54.840 0.316 0.000 0.747 262 L CB -0.625 41.623 42.059 0.315 0.000 0.896 262 L HN 0.272 nan 8.230 nan 0.000 0.432 263 D N -0.334 120.215 120.400 0.248 0.000 2.144 263 D HA -0.226 4.414 4.640 0.001 0.000 0.199 263 D C 2.008 178.348 176.300 0.067 0.000 0.984 263 D CA 1.268 55.364 54.000 0.160 0.000 0.834 263 D CB 0.103 40.961 40.800 0.096 0.000 0.955 263 D HN 0.427 nan 8.370 nan 0.000 0.465 264 E N -1.068 119.122 120.200 -0.017 0.000 2.190 264 E HA -0.030 4.321 4.350 0.001 0.000 0.191 264 E C 0.432 176.712 176.600 -0.533 0.000 0.978 264 E CA 0.346 56.536 56.400 -0.350 0.000 0.839 264 E CB 0.281 29.638 29.700 -0.573 0.000 0.787 264 E HN 0.185 nan 8.360 nan 0.000 0.473 265 F N -0.774 119.250 119.950 0.124 0.000 2.835 265 F HA 0.195 4.722 4.527 0.001 0.000 0.342 265 F C 0.668 176.613 175.800 0.242 0.000 1.202 265 F CA -0.698 57.383 58.000 0.136 0.000 1.240 265 F CB 0.027 39.026 39.000 -0.002 0.000 1.005 265 F HN -0.005 nan 8.300 nan 0.000 0.507 266 Y N 3.508 123.960 120.300 0.254 0.000 2.062 266 Y HA -0.261 4.290 4.550 0.001 0.000 0.273 266 Y C -0.278 175.722 175.900 0.168 0.000 1.206 266 Y CA 2.379 60.592 58.100 0.188 0.000 1.125 266 Y CB -1.084 37.453 38.460 0.128 0.000 0.951 266 Y HN -0.016 nan 8.280 nan 0.000 0.501 267 P HA -0.148 nan 4.420 nan 0.000 0.230 267 P C 0.209 177.470 177.300 -0.065 0.000 1.158 267 P CA 1.557 64.746 63.100 0.150 0.000 0.769 267 P CB -0.265 31.467 31.700 0.053 0.000 0.807 268 Y N -0.452 119.887 120.300 0.064 0.000 2.485 268 Y HA 0.341 4.892 4.550 0.001 0.000 0.260 268 Y C 1.331 177.167 175.900 -0.107 0.000 1.173 268 Y CA -0.282 57.813 58.100 -0.008 0.000 1.252 268 Y CB 0.094 38.562 38.460 0.012 0.000 1.123 268 Y HN -0.146 nan 8.280 nan 0.000 0.524 269 I N 1.166 121.716 120.570 -0.034 0.000 2.509 269 I HA 0.420 4.591 4.170 0.001 0.000 0.293 269 I C -0.444 175.549 176.117 -0.206 0.000 1.020 269 I CA -1.030 60.141 61.300 -0.215 0.000 1.088 269 I CB 1.587 39.352 38.000 -0.392 0.000 1.267 269 I HN -0.180 nan 8.210 nan 0.000 0.430 270 R N 3.414 123.798 120.500 -0.193 0.000 2.670 270 R HA 0.671 5.011 4.340 0.001 0.000 0.289 270 R C -0.677 175.600 176.300 -0.038 0.000 0.965 270 R CA -0.620 55.433 56.100 -0.079 0.000 0.899 270 R CB 2.343 32.637 30.300 -0.009 0.000 1.173 270 R HN 0.765 nan 8.270 nan 0.000 0.456 271 T N -1.021 113.547 114.554 0.024 0.000 2.901 271 T HA 0.566 4.916 4.350 0.001 0.000 0.293 271 T C -2.708 171.974 174.700 -0.031 0.000 1.084 271 T CA -2.363 59.768 62.100 0.051 0.000 1.008 271 T CB 2.029 70.933 68.868 0.060 0.000 1.170 271 T HN 0.154 nan 8.240 nan 0.000 0.509 272 P HA 0.149 nan 4.420 nan 0.000 0.266 272 P C 1.046 178.025 177.300 -0.534 0.000 1.195 272 P CA -0.428 62.355 63.100 -0.528 0.000 0.768 272 P CB 0.463 31.571 31.700 -0.986 0.000 0.838 273 V N -1.388 118.238 119.914 -0.480 0.000 3.660 273 V HA 0.228 4.349 4.120 0.001 0.000 0.276 273 V C -0.040 175.842 176.094 -0.353 0.000 1.317 273 V CA 0.502 62.600 62.300 -0.337 0.000 1.097 273 V CB -0.756 30.939 31.823 -0.214 0.000 0.863 273 V HN 0.572 nan 8.190 nan 0.000 0.438 274 D N -1.095 118.977 120.400 -0.547 0.000 2.654 274 D HA 0.574 5.214 4.640 0.001 0.000 0.231 274 D C -1.177 174.741 176.300 -0.636 0.000 1.239 274 D CA -0.514 53.245 54.000 -0.401 0.000 0.790 274 D CB 1.140 41.812 40.800 -0.214 0.000 1.480 274 D HN 0.033 nan 8.370 nan 0.000 0.442 275 F N -0.269 119.633 119.950 -0.081 0.000 2.664 275 F HA 0.838 5.365 4.527 0.001 0.000 0.329 275 F C -0.096 175.690 175.800 -0.024 0.000 1.090 275 F CA -1.215 56.750 58.000 -0.058 0.000 0.978 275 F CB 2.116 41.083 39.000 -0.056 0.000 1.378 275 F HN 0.606 nan 8.300 nan 0.000 0.495 276 A N 0.906 123.867 122.820 0.235 0.000 2.343 276 A HA 0.815 5.135 4.320 0.001 0.000 0.316 276 A C -1.111 176.567 177.584 0.157 0.000 1.104 276 A CA -0.692 51.459 52.037 0.191 0.000 0.768 276 A CB 1.086 20.228 19.000 0.237 0.000 1.213 276 A HN 0.856 nan 8.150 nan 0.000 0.456 277 V N -0.482 119.521 119.914 0.147 0.000 2.881 277 V HA 0.682 4.802 4.120 0.001 0.000 0.316 277 V C -0.383 175.792 176.094 0.135 0.000 1.070 277 V CA -0.801 61.543 62.300 0.074 0.000 0.976 277 V CB 1.876 33.766 31.823 0.111 0.000 1.038 277 V HN 0.773 nan 8.190 nan 0.000 0.446 278 D N 1.691 122.091 120.400 0.000 0.000 2.522 278 D HA 0.153 4.794 4.640 0.001 0.000 0.218 278 D C -0.763 175.609 176.300 0.120 0.000 1.149 278 D CA -0.198 53.864 54.000 0.105 0.000 0.981 278 D CB -0.148 40.576 40.800 -0.126 0.000 1.041 278 D HN 0.661 nan 8.370 nan 0.000 0.518 279 Y N 4.293 124.535 120.300 -0.097 0.000 2.600 279 Y HA 0.197 4.748 4.550 0.001 0.000 0.351 279 Y C 0.123 175.890 175.900 -0.222 0.000 1.042 279 Y CA -0.742 57.080 58.100 -0.463 0.000 1.333 279 Y CB 0.069 38.228 38.460 -0.501 0.000 1.172 279 Y HN 0.177 nan 8.280 nan 0.000 0.517 280 K N 4.443 124.560 120.400 -0.473 0.000 3.096 280 K HA -0.226 4.095 4.320 0.001 0.000 0.266 280 K C 1.018 177.541 176.600 -0.129 0.000 1.043 280 K CA 0.937 57.020 56.287 -0.339 0.000 0.758 280 K CB -1.899 30.239 32.500 -0.604 0.000 1.260 280 K HN 1.258 nan 8.250 nan 0.000 0.481 281 G N -0.953 107.845 108.800 -0.004 0.000 2.284 281 G HA2 -0.353 3.607 3.960 0.001 0.000 0.247 281 G HA3 -0.353 3.607 3.960 0.001 0.000 0.247 281 G C 0.117 175.074 174.900 0.095 0.000 1.012 281 G CA 0.727 45.868 45.100 0.069 0.000 0.618 281 G HN 0.408 nan 8.290 nan 0.000 0.521 282 E N 0.243 120.484 120.200 0.069 0.000 2.318 282 E HA 0.608 4.958 4.350 0.001 0.000 0.265 282 E C 0.602 177.282 176.600 0.133 0.000 1.069 282 E CA -0.716 55.719 56.400 0.060 0.000 0.893 282 E CB 0.597 30.341 29.700 0.074 0.000 1.076 282 E HN 0.374 nan 8.360 nan 0.000 0.414 283 R N 1.925 122.419 120.500 -0.009 0.000 2.216 283 R HA 0.319 4.660 4.340 0.001 0.000 0.332 283 R C -1.348 175.005 176.300 0.087 0.000 1.056 283 R CA -0.236 55.894 56.100 0.049 0.000 0.901 283 R CB 0.221 30.383 30.300 -0.229 0.000 1.039 283 R HN 0.251 nan 8.270 nan 0.000 0.456 284 V N 4.784 124.785 119.914 0.145 0.000 2.487 284 V HA 0.265 4.385 4.120 0.001 0.000 0.298 284 V C -0.430 175.700 176.094 0.060 0.000 1.028 284 V CA -0.797 61.532 62.300 0.047 0.000 0.860 284 V CB 1.817 33.617 31.823 -0.038 0.000 0.991 284 V HN 0.796 nan 8.190 nan 0.000 0.427 285 E N 5.117 125.333 120.200 0.027 0.000 2.197 285 E HA 0.510 4.861 4.350 0.001 0.000 0.281 285 E C -0.677 175.933 176.600 0.018 0.000 0.995 285 E CA -0.531 55.889 56.400 0.034 0.000 0.808 285 E CB 1.966 31.671 29.700 0.008 0.000 1.093 285 E HN 0.620 nan 8.360 nan 0.000 0.394 286 I N -0.288 120.312 120.570 0.050 0.000 2.797 286 I HA 0.521 4.691 4.170 0.001 0.000 0.307 286 I C -0.552 175.597 176.117 0.052 0.000 1.033 286 I CA -0.828 60.500 61.300 0.046 0.000 1.071 286 I CB 1.909 39.949 38.000 0.066 0.000 1.255 286 I HN 0.408 nan 8.210 nan 0.000 0.445 287 D N 3.251 123.671 120.400 0.035 0.000 2.217 287 D HA 0.197 4.837 4.640 0.001 0.000 0.243 287 D C 0.792 177.121 176.300 0.048 0.000 1.054 287 D CA -0.519 53.490 54.000 0.015 0.000 0.838 287 D CB 2.240 43.038 40.800 -0.003 0.000 1.162 287 D HN 0.613 nan 8.370 nan 0.000 0.472 288 L N 4.173 125.416 121.223 0.034 0.000 2.129 288 L HA -0.123 4.217 4.340 0.001 0.000 0.212 288 L C 1.818 178.738 176.870 0.084 0.000 1.087 288 L CA 1.690 56.554 54.840 0.040 0.000 0.757 288 L CB -0.139 41.842 42.059 -0.129 0.000 0.896 288 L HN 0.573 nan 8.230 nan 0.000 0.434 289 L N -2.349 118.917 121.223 0.072 0.000 2.463 289 L HA 0.113 4.453 4.340 0.001 0.000 0.219 289 L C 1.451 178.369 176.870 0.079 0.000 1.088 289 L CA -0.063 54.840 54.840 0.106 0.000 0.849 289 L CB -0.129 41.988 42.059 0.096 0.000 1.012 289 L HN 0.101 nan 8.230 nan 0.000 0.468 290 S N -0.068 115.665 115.700 0.055 0.000 2.606 290 S HA -0.082 4.389 4.470 0.001 0.000 0.257 290 S C 1.221 175.854 174.600 0.055 0.000 1.327 290 S CA -0.092 58.134 58.200 0.044 0.000 0.984 290 S CB 1.230 64.445 63.200 0.026 0.000 0.941 290 S HN 0.324 nan 8.310 nan 0.000 0.576 291 E N 0.996 121.222 120.200 0.044 0.000 2.107 291 E HA -0.165 4.185 4.350 0.001 0.000 0.191 291 E C 1.419 178.051 176.600 0.053 0.000 0.982 291 E CA 1.252 57.681 56.400 0.049 0.000 0.809 291 E CB -0.316 29.405 29.700 0.035 0.000 0.756 291 E HN 0.791 nan 8.360 nan 0.000 0.459 292 N N 1.713 120.435 118.700 0.038 0.000 2.659 292 N HA -0.258 4.483 4.740 0.001 0.000 0.194 292 N C 1.451 176.998 175.510 0.062 0.000 1.140 292 N CA 1.235 54.304 53.050 0.033 0.000 0.936 292 N CB -0.823 37.665 38.487 0.003 0.000 0.970 292 N HN 0.380 nan 8.380 nan 0.000 0.449 293 R N -0.403 120.144 120.500 0.079 0.000 2.200 293 R HA -0.016 4.325 4.340 0.001 0.000 0.234 293 R C 1.985 178.362 176.300 0.130 0.000 1.127 293 R CA 1.348 57.504 56.100 0.093 0.000 0.989 293 R CB -1.081 29.282 30.300 0.105 0.000 0.869 293 R HN 0.220 nan 8.270 nan 0.000 0.459 294 G N 1.991 110.890 108.800 0.164 0.000 2.450 294 G HA2 -0.213 3.747 3.960 0.001 0.000 0.220 294 G HA3 -0.213 3.747 3.960 0.001 0.000 0.220 294 G C 1.485 176.561 174.900 0.293 0.000 1.130 294 G CA 0.588 45.848 45.100 0.268 0.000 0.760 294 G HN 0.245 nan 8.290 nan 0.000 0.557 295 L N 0.031 121.371 121.223 0.194 0.000 2.263 295 L HA -0.068 4.273 4.340 0.001 0.000 0.216 295 L C 2.695 179.699 176.870 0.223 0.000 1.111 295 L CA 0.430 55.419 54.840 0.248 0.000 0.773 295 L CB -0.250 41.919 42.059 0.183 0.000 0.906 295 L HN 0.237 nan 8.230 nan 0.000 0.439 296 L N -1.435 119.843 121.223 0.092 0.000 2.265 296 L HA -0.219 4.122 4.340 0.001 0.000 0.215 296 L C 2.297 179.091 176.870 -0.128 0.000 1.117 296 L CA 0.895 55.701 54.840 -0.056 0.000 0.782 296 L CB -0.738 41.216 42.059 -0.176 0.000 0.914 296 L HN 0.343 nan 8.230 nan 0.000 0.441 297 H N -1.227 117.841 119.070 -0.003 0.000 2.428 297 H HA -0.138 4.418 4.556 0.001 0.000 0.296 297 H C 2.262 177.533 175.328 -0.096 0.000 1.062 297 H CA 1.240 57.268 56.048 -0.034 0.000 1.350 297 H CB 0.200 29.950 29.762 -0.019 0.000 1.403 297 H HN 0.330 nan 8.280 nan 0.000 0.533 298 Q N -0.760 119.002 119.800 -0.062 0.000 2.402 298 Q HA 0.084 4.425 4.340 0.001 0.000 0.231 298 Q C -0.604 175.057 176.000 -0.565 0.000 0.888 298 Q CA 0.019 55.606 55.803 -0.359 0.000 0.938 298 Q CB 0.746 29.146 28.738 -0.563 0.000 1.086 298 Q HN 0.345 nan 8.270 nan 0.000 0.543 299 Y N 1.038 121.361 120.300 0.038 0.000 2.387 299 Y HA 0.311 4.862 4.550 0.001 0.000 0.336 299 Y C -0.224 175.633 175.900 -0.072 0.000 1.067 299 Y CA -0.961 57.144 58.100 0.008 0.000 1.114 299 Y CB 1.327 39.841 38.460 0.090 0.000 1.208 299 Y HN -0.008 nan 8.280 nan 0.000 0.458 300 Q N 2.965 122.769 119.800 0.007 0.000 2.288 300 Q HA 0.365 4.705 4.340 0.001 0.000 0.254 300 Q C -0.733 175.150 176.000 -0.195 0.000 0.932 300 Q CA -0.422 55.283 55.803 -0.164 0.000 0.902 300 Q CB 0.644 29.200 28.738 -0.304 0.000 1.203 300 Q HN 0.706 nan 8.270 nan 0.000 0.415 301 I N 4.772 125.209 120.570 -0.223 0.000 2.618 301 I HA -0.106 4.064 4.170 0.001 0.000 0.284 301 I C 0.825 176.798 176.117 -0.239 0.000 1.146 301 I CA 0.350 61.535 61.300 -0.192 0.000 1.425 301 I CB 0.574 38.425 38.000 -0.249 0.000 1.383 301 I HN 0.751 nan 8.210 nan 0.000 0.562 302 M N 3.454 122.910 119.600 -0.239 0.000 2.279 302 M HA 0.296 4.776 4.480 0.001 0.000 0.306 302 M C -0.427 175.833 176.300 -0.067 0.000 0.965 302 M CA 0.224 55.310 55.300 -0.356 0.000 1.038 302 M CB -0.105 31.806 32.600 -1.148 0.000 1.636 302 M HN 0.579 nan 8.290 nan 0.000 0.574 303 D N 0.350 120.791 120.400 0.069 0.000 2.742 303 D HA 0.339 4.979 4.640 0.001 0.000 0.262 303 D C -1.240 175.141 176.300 0.136 0.000 1.240 303 D CA -0.540 53.534 54.000 0.123 0.000 0.752 303 D CB 1.373 42.286 40.800 0.190 0.000 1.290 303 D HN 0.129 nan 8.370 nan 0.000 0.420 304 I N -0.739 119.848 120.570 0.028 0.000 2.764 304 I HA 0.780 4.950 4.170 0.001 0.000 0.294 304 I C 0.890 176.924 176.117 -0.137 0.000 1.045 304 I CA -0.557 60.671 61.300 -0.121 0.000 1.340 304 I CB 0.980 38.843 38.000 -0.227 0.000 1.436 304 I HN 0.275 nan 8.210 nan 0.000 0.567 305 G N 2.068 110.722 108.800 -0.243 0.000 2.528 305 G HA2 0.185 4.146 3.960 0.001 0.000 0.289 305 G HA3 0.185 4.146 3.960 0.001 0.000 0.289 305 G C 0.427 175.214 174.900 -0.188 0.000 1.192 305 G CA -0.710 44.288 45.100 -0.170 0.000 0.921 305 G HN 0.935 nan 8.290 nan 0.000 0.512 306 K N -0.276 120.045 120.400 -0.131 0.000 2.089 306 K HA -0.186 4.135 4.320 0.001 0.000 0.210 306 K C 2.343 178.853 176.600 -0.151 0.000 1.048 306 K CA 1.627 57.841 56.287 -0.122 0.000 0.926 306 K CB -0.083 32.366 32.500 -0.085 0.000 0.714 306 K HN 0.488 nan 8.250 nan 0.000 0.448 307 R N -0.220 120.183 120.500 -0.163 0.000 2.148 307 R HA -0.050 4.290 4.340 0.001 0.000 0.223 307 R C 1.825 177.976 176.300 -0.249 0.000 1.088 307 R CA 1.610 57.608 56.100 -0.170 0.000 0.985 307 R CB 0.000 30.214 30.300 -0.143 0.000 0.880 307 R HN 0.215 nan 8.270 nan 0.000 0.451 308 T N 0.114 114.453 114.554 -0.360 0.000 2.770 308 T HA -0.014 4.337 4.350 0.001 0.000 0.263 308 T C 1.801 176.102 174.700 -0.664 0.000 1.039 308 T CA 1.136 62.877 62.100 -0.599 0.000 1.142 308 T CB -0.214 68.213 68.868 -0.735 0.000 0.868 308 T HN 0.391 nan 8.240 nan 0.000 0.435 309 A N 1.581 124.146 122.820 -0.426 0.000 1.908 309 A HA -0.188 4.132 4.320 0.001 0.000 0.218 309 A C 2.209 179.709 177.584 -0.140 0.000 1.181 309 A CA 2.087 53.974 52.037 -0.250 0.000 0.627 309 A CB -0.702 18.197 19.000 -0.168 0.000 0.818 309 A HN 0.638 nan 8.150 nan 0.000 0.445 310 E N -0.014 120.101 120.200 -0.143 0.000 2.038 310 E HA -0.254 4.096 4.350 0.001 0.000 0.195 310 E C 1.982 178.549 176.600 -0.054 0.000 1.000 310 E CA 1.674 58.024 56.400 -0.083 0.000 0.803 310 E CB -0.150 29.497 29.700 -0.088 0.000 0.750 310 E HN 0.637 nan 8.360 nan 0.000 0.448 311 K N -0.550 119.796 120.400 -0.091 0.000 2.057 311 K HA -0.152 4.168 4.320 0.001 0.000 0.207 311 K C 2.222 178.896 176.600 0.124 0.000 1.049 311 K CA 1.318 57.596 56.287 -0.016 0.000 0.931 311 K CB -0.239 32.228 32.500 -0.056 0.000 0.714 311 K HN 0.229 nan 8.250 nan 0.000 0.440 312 Y N 1.269 121.527 120.300 -0.069 0.000 2.224 312 Y HA -0.141 4.410 4.550 0.001 0.000 0.289 312 Y C 2.411 178.283 175.900 -0.047 0.000 1.146 312 Y CA 0.771 58.834 58.100 -0.061 0.000 1.182 312 Y CB -0.683 37.733 38.460 -0.072 0.000 0.983 312 Y HN 0.078 nan 8.280 nan 0.000 0.524 313 R N 0.711 121.283 120.500 0.119 0.000 2.073 313 R HA -0.181 4.159 4.340 0.001 0.000 0.234 313 R C 2.037 178.358 176.300 0.035 0.000 1.134 313 R CA 1.844 57.976 56.100 0.054 0.000 0.952 313 R CB -0.171 30.143 30.300 0.022 0.000 0.850 313 R HN 0.378 nan 8.270 nan 0.000 0.433 314 E N 0.238 120.457 120.200 0.031 0.000 2.070 314 E HA -0.250 4.100 4.350 0.001 0.000 0.197 314 E C 2.076 178.686 176.600 0.017 0.000 1.004 314 E CA 1.924 58.335 56.400 0.018 0.000 0.805 314 E CB -0.215 29.494 29.700 0.014 0.000 0.744 314 E HN 0.444 nan 8.360 nan 0.000 0.451 315 I N 0.820 121.406 120.570 0.025 0.000 2.179 315 I HA -0.278 3.892 4.170 0.001 0.000 0.242 315 I C 2.391 178.503 176.117 -0.007 0.000 1.088 315 I CA 0.966 62.269 61.300 0.005 0.000 1.357 315 I CB -0.211 37.787 38.000 -0.003 0.000 1.051 315 I HN 0.105 nan 8.210 nan 0.000 0.409 316 L N -0.354 120.865 121.223 -0.006 0.000 2.093 316 L HA -0.197 4.144 4.340 0.001 0.000 0.208 316 L C 2.567 179.431 176.870 -0.009 0.000 1.085 316 L CA 0.862 55.691 54.840 -0.018 0.000 0.755 316 L CB -0.435 41.614 42.059 -0.015 0.000 0.904 316 L HN 0.287 nan 8.230 nan 0.000 0.435 317 M N -0.414 119.187 119.600 0.000 0.000 2.358 317 M HA -0.135 4.346 4.480 0.001 0.000 0.264 317 M C 1.580 177.882 176.300 0.002 0.000 1.064 317 M CA 1.498 56.800 55.300 0.002 0.000 1.093 317 M CB -0.652 31.951 32.600 0.004 0.000 1.401 317 M HN 0.139 nan 8.290 nan 0.000 0.440 318 K N -0.544 119.857 120.400 0.001 0.000 2.372 318 K HA 0.347 4.667 4.320 0.001 0.000 0.200 318 K C 0.327 176.930 176.600 0.005 0.000 1.022 318 K CA 0.012 56.301 56.287 0.004 0.000 1.125 318 K CB 0.378 32.879 32.500 0.003 0.000 0.855 318 K HN 0.149 nan 8.250 nan 0.000 0.524 319 A N 1.211 124.032 122.820 0.002 0.000 2.351 319 A HA 0.283 4.603 4.320 0.001 0.000 0.257 319 A C 1.034 178.629 177.584 0.019 0.000 1.087 319 A CA -0.216 51.825 52.037 0.006 0.000 0.798 319 A CB 0.688 19.683 19.000 -0.008 0.000 1.033 319 A HN 0.012 nan 8.150 nan 0.000 0.488 320 R N -0.074 120.445 120.500 0.032 0.000 2.175 320 R HA 0.281 4.621 4.340 0.001 0.000 0.202 320 R C -0.215 176.134 176.300 0.081 0.000 1.018 320 R CA 0.743 56.873 56.100 0.050 0.000 1.029 320 R CB 0.096 30.422 30.300 0.044 0.000 0.959 320 R HN 0.649 nan 8.270 nan 0.000 0.480 321 I N 1.369 121.981 120.570 0.070 0.000 2.582 321 I HA 0.417 4.588 4.170 0.001 0.000 0.292 321 I C -0.490 175.626 176.117 -0.001 0.000 1.066 321 I CA -0.938 60.418 61.300 0.094 0.000 1.053 321 I CB 2.268 40.337 38.000 0.115 0.000 1.241 321 I HN -0.116 nan 8.210 nan 0.000 0.421 322 I N 5.805 126.336 120.570 -0.064 0.000 2.499 322 I HA 0.465 4.635 4.170 0.001 0.000 0.288 322 I C -0.768 175.146 176.117 -0.338 0.000 1.048 322 I CA -0.847 60.340 61.300 -0.189 0.000 1.062 322 I CB 2.543 40.447 38.000 -0.159 0.000 1.238 322 I HN 0.085 nan 8.210 nan 0.000 0.426 323 V N 5.392 124.946 119.914 -0.600 0.000 2.409 323 V HA 0.743 4.863 4.120 0.001 0.000 0.290 323 V C -0.064 175.656 176.094 -0.623 0.000 1.017 323 V CA -0.387 61.417 62.300 -0.826 0.000 0.841 323 V CB 1.469 32.272 31.823 -1.700 0.000 1.003 323 V HN 0.821 nan 8.190 nan 0.000 0.426 324 A N 4.441 127.025 122.820 -0.393 0.000 2.401 324 A HA 0.885 5.206 4.320 0.001 0.000 0.310 324 A C -0.695 176.796 177.584 -0.156 0.000 1.075 324 A CA -0.690 51.206 52.037 -0.235 0.000 0.746 324 A CB 1.699 20.591 19.000 -0.181 0.000 1.277 324 A HN 0.696 nan 8.150 nan 0.000 0.425 325 N N 0.728 119.397 118.700 -0.051 0.000 2.369 325 N HA 0.528 5.269 4.740 0.001 0.000 0.287 325 N C -0.217 175.345 175.510 0.087 0.000 1.067 325 N CA 0.791 53.853 53.050 0.019 0.000 0.888 325 N CB 2.084 40.597 38.487 0.044 0.000 1.616 325 N HN 2.009 nan 8.380 nan 0.000 0.482 326 G N 2.980 111.857 108.800 0.129 0.000 2.787 326 G HA2 -0.175 3.786 3.960 0.001 0.000 0.685 326 G HA3 -0.175 3.786 3.960 0.001 0.000 0.685 326 G C -3.062 171.945 174.900 0.178 0.000 1.437 326 G CA -0.786 44.410 45.100 0.160 0.000 0.872 326 G HN 0.493 nan 8.290 nan 0.000 0.566 327 P HA 0.345 nan 4.420 nan 0.000 0.276 327 P C 0.841 178.063 177.300 -0.129 0.000 1.252 327 P CA -0.459 62.541 63.100 -0.167 0.000 0.802 327 P CB 0.768 32.408 31.700 -0.100 0.000 1.035 328 M N -0.451 118.994 119.600 -0.259 0.000 2.514 328 M HA 0.217 4.697 4.480 0.001 0.000 0.258 328 M C 1.197 177.477 176.300 -0.033 0.000 1.119 328 M CA 0.769 56.000 55.300 -0.115 0.000 1.111 328 M CB -0.736 31.763 32.600 -0.167 0.000 1.390 328 M HN 0.567 nan 8.290 nan 0.000 0.475 329 G N -0.704 108.075 108.800 -0.036 0.000 2.772 329 G HA2 0.390 4.350 3.960 0.001 0.000 0.284 329 G HA3 0.390 4.350 3.960 0.001 0.000 0.284 329 G C -1.255 173.704 174.900 0.099 0.000 1.217 329 G CA -0.580 44.548 45.100 0.046 0.000 0.831 329 G HN -0.147 nan 8.290 nan 0.000 0.523 330 V N 2.453 122.443 119.914 0.126 0.000 2.149 330 V HA 0.129 4.249 4.120 0.001 0.000 0.245 330 V C 1.375 177.641 176.094 0.287 0.000 1.349 330 V CA -0.124 62.278 62.300 0.171 0.000 1.289 330 V CB -0.474 31.399 31.823 0.085 0.000 1.401 330 V HN 0.540 nan 8.190 nan 0.000 0.501 331 F N 3.880 123.877 119.950 0.077 0.000 2.154 331 F HA -0.198 4.329 4.527 0.000 0.000 0.301 331 F C 2.404 178.275 175.800 0.117 0.000 1.087 331 F CA 2.152 60.189 58.000 0.062 0.000 1.274 331 F CB -0.031 38.996 39.000 0.046 0.000 1.009 331 F HN 0.651 nan 8.300 nan 0.000 0.485 332 E N 0.522 120.819 120.200 0.162 0.000 2.268 332 E HA -0.187 4.164 4.350 0.001 0.000 0.195 332 E C 0.310 176.956 176.600 0.077 0.000 0.995 332 E CA 0.649 57.073 56.400 0.040 0.000 0.836 332 E CB -0.524 29.216 29.700 0.067 0.000 0.763 332 E HN 0.318 nan 8.360 nan 0.000 0.491 333 R N 1.750 122.347 120.500 0.162 0.000 2.229 333 R HA 0.139 4.479 4.340 0.001 0.000 0.328 333 R C 0.970 177.359 176.300 0.149 0.000 1.009 333 R CA -0.334 55.872 56.100 0.176 0.000 0.864 333 R CB 1.137 31.626 30.300 0.315 0.000 1.085 333 R HN 0.081 nan 8.270 nan 0.000 0.453 334 E N 2.794 123.040 120.200 0.078 0.000 2.065 334 E HA -0.255 4.096 4.350 0.001 0.000 0.201 334 E C 1.424 178.011 176.600 -0.021 0.000 1.016 334 E CA 1.713 58.150 56.400 0.060 0.000 0.818 334 E CB 0.118 29.829 29.700 0.018 0.000 0.749 334 E HN 0.615 nan 8.360 nan 0.000 0.453 335 E N 0.332 120.420 120.200 -0.186 0.000 2.401 335 E HA -0.146 4.204 4.350 0.001 0.000 0.199 335 E C 0.959 177.169 176.600 -0.651 0.000 1.023 335 E CA 0.694 56.816 56.400 -0.462 0.000 0.859 335 E CB -0.431 28.849 29.700 -0.700 0.000 0.780 335 E HN 0.354 nan 8.360 nan 0.000 0.523 336 F N 0.002 119.983 119.950 0.052 0.000 2.850 336 F HA 0.506 5.033 4.527 0.001 0.000 0.329 336 F C 1.429 177.266 175.800 0.063 0.000 1.182 336 F CA -0.201 57.826 58.000 0.045 0.000 1.270 336 F CB 1.027 40.054 39.000 0.045 0.000 0.979 336 F HN 0.053 nan 8.300 nan 0.000 0.506 337 A N -0.543 122.373 122.820 0.160 0.000 2.229 337 A HA 0.190 4.511 4.320 0.001 0.000 0.211 337 A C 1.862 179.430 177.584 -0.027 0.000 1.193 337 A CA 0.267 52.406 52.037 0.169 0.000 0.879 337 A CB -0.228 18.922 19.000 0.249 0.000 0.911 337 A HN 0.239 nan 8.150 nan 0.000 0.492 338 I N 1.109 121.658 120.570 -0.035 0.000 2.113 338 I HA -0.291 3.879 4.170 0.001 0.000 0.242 338 I C 2.636 178.670 176.117 -0.138 0.000 1.057 338 I CA 1.892 63.143 61.300 -0.083 0.000 1.314 338 I CB -1.034 36.933 38.000 -0.055 0.000 1.022 338 I HN 0.294 nan 8.210 nan 0.000 0.408 339 G N -0.866 107.860 108.800 -0.123 0.000 2.440 339 G HA2 -0.244 3.716 3.960 0.001 0.000 0.218 339 G HA3 -0.244 3.716 3.960 0.001 0.000 0.218 339 G C 1.687 176.410 174.900 -0.294 0.000 1.154 339 G CA 1.582 46.581 45.100 -0.169 0.000 0.767 339 G HN 0.406 nan 8.290 nan 0.000 0.552 340 T N 0.734 115.024 114.554 -0.440 0.000 2.737 340 T HA -0.087 4.264 4.350 0.001 0.000 0.265 340 T C 2.572 176.725 174.700 -0.912 0.000 1.038 340 T CA 1.180 62.732 62.100 -0.913 0.000 1.144 340 T CB -0.297 67.763 68.868 -1.348 0.000 0.866 340 T HN 0.058 nan 8.240 nan 0.000 0.434 341 V N 1.820 121.392 119.914 -0.570 0.000 2.332 341 V HA -0.157 3.963 4.120 0.001 0.000 0.248 341 V C 2.709 178.688 176.094 -0.191 0.000 1.055 341 V CA 1.593 63.671 62.300 -0.371 0.000 1.038 341 V CB -0.517 31.082 31.823 -0.373 0.000 0.651 341 V HN 0.421 nan 8.190 nan 0.000 0.450 342 E N -0.049 120.046 120.200 -0.176 0.000 2.072 342 E HA -0.142 4.208 4.350 0.001 0.000 0.191 342 E C 2.320 178.889 176.600 -0.053 0.000 0.985 342 E CA 1.205 57.551 56.400 -0.091 0.000 0.801 342 E CB -0.445 29.201 29.700 -0.091 0.000 0.750 342 E HN 0.489 nan 8.360 nan 0.000 0.452 343 V N 1.197 121.054 119.914 -0.095 0.000 2.358 343 V HA -0.203 3.917 4.120 0.001 0.000 0.246 343 V C 2.171 178.357 176.094 0.153 0.000 1.047 343 V CA 1.321 63.629 62.300 0.012 0.000 1.035 343 V CB -0.527 31.291 31.823 -0.008 0.000 0.658 343 V HN 0.108 nan 8.190 nan 0.000 0.452 344 F N 0.812 120.696 119.950 -0.110 0.000 2.186 344 F HA -0.057 4.470 4.527 0.001 0.000 0.299 344 F C 2.289 178.051 175.800 -0.063 0.000 1.090 344 F CA 0.960 58.900 58.000 -0.100 0.000 1.307 344 F CB -0.907 38.020 39.000 -0.121 0.000 1.019 344 F HN 0.183 nan 8.300 nan 0.000 0.489 345 K N -0.075 120.407 120.400 0.137 0.000 2.148 345 K HA -0.044 4.277 4.320 0.001 0.000 0.204 345 K C 2.267 178.893 176.600 0.045 0.000 1.050 345 K CA 1.027 57.358 56.287 0.073 0.000 0.942 345 K CB -0.309 32.220 32.500 0.048 0.000 0.724 345 K HN 0.143 nan 8.250 nan 0.000 0.446 346 A N 1.497 124.343 122.820 0.044 0.000 1.902 346 A HA -0.137 4.183 4.320 0.001 0.000 0.217 346 A C 2.078 179.670 177.584 0.014 0.000 1.181 346 A CA 1.211 53.264 52.037 0.027 0.000 0.623 346 A CB -0.533 18.486 19.000 0.033 0.000 0.818 346 A HN 0.160 nan 8.150 nan 0.000 0.443 347 I N -0.276 120.305 120.570 0.018 0.000 2.226 347 I HA -0.275 3.895 4.170 0.001 0.000 0.245 347 I C 2.953 179.043 176.117 -0.045 0.000 1.100 347 I CA 1.079 62.361 61.300 -0.030 0.000 1.374 347 I CB -0.357 37.606 38.000 -0.063 0.000 1.057 347 I HN 0.358 nan 8.210 nan 0.000 0.413 348 A N 0.425 123.229 122.820 -0.027 0.000 1.930 348 A HA -0.207 4.113 4.320 0.001 0.000 0.217 348 A C 1.884 179.457 177.584 -0.018 0.000 1.175 348 A CA 1.899 53.918 52.037 -0.030 0.000 0.627 348 A CB -0.458 18.538 19.000 -0.008 0.000 0.815 348 A HN 0.357 nan 8.150 nan 0.000 0.443 349 D N -0.198 120.200 120.400 -0.004 0.000 2.277 349 D HA 0.033 4.673 4.640 0.001 0.000 0.208 349 D C 1.029 177.327 176.300 -0.004 0.000 0.962 349 D CA 0.650 54.649 54.000 -0.000 0.000 0.865 349 D CB -0.299 40.504 40.800 0.006 0.000 0.939 349 D HN 0.311 nan 8.370 nan 0.000 0.510 350 S N 1.501 117.196 115.700 -0.009 0.000 2.560 350 S HA 0.061 4.532 4.470 0.001 0.000 0.284 350 S C -1.459 173.138 174.600 -0.005 0.000 1.327 350 S CA -1.073 57.122 58.200 -0.008 0.000 1.055 350 S CB 1.193 64.383 63.200 -0.016 0.000 0.868 350 S HN -0.050 nan 8.310 nan 0.000 0.506 351 P HA 0.156 nan 4.420 nan 0.000 0.241 351 P C 0.243 177.562 177.300 0.031 0.000 1.191 351 P CA 0.142 63.252 63.100 0.016 0.000 0.771 351 P CB -0.231 31.480 31.700 0.018 0.000 0.929 352 A N 0.731 123.565 122.820 0.023 0.000 2.448 352 A HA 0.165 4.485 4.320 0.001 0.000 0.239 352 A C -0.270 177.356 177.584 0.070 0.000 1.080 352 A CA -0.294 51.772 52.037 0.049 0.000 0.779 352 A CB -0.561 18.451 19.000 0.020 0.000 1.026 352 A HN 0.178 nan 8.150 nan 0.000 0.499 353 F N 2.413 122.352 119.950 -0.018 0.000 2.445 353 F HA 0.462 4.989 4.527 0.000 0.000 0.359 353 F C 0.593 176.373 175.800 -0.033 0.000 1.101 353 F CA 0.142 58.133 58.000 -0.015 0.000 1.177 353 F CB 0.521 39.520 39.000 -0.003 0.000 1.110 353 F HN 0.526 nan 8.300 nan 0.000 0.522 354 S N 5.057 120.426 115.700 -0.551 0.000 2.536 354 S HA 0.877 5.348 4.470 0.001 0.000 0.298 354 S C -1.242 173.050 174.600 -0.515 0.000 1.083 354 S CA -0.837 57.107 58.200 -0.425 0.000 0.995 354 S CB 1.844 64.886 63.200 -0.263 0.000 1.058 354 S HN 0.513 nan 8.310 nan 0.000 0.488 355 V N 2.583 122.294 119.914 -0.339 0.000 2.577 355 V HA 0.654 4.775 4.120 0.001 0.000 0.303 355 V C -1.222 174.737 176.094 -0.226 0.000 1.042 355 V CA -0.630 61.544 62.300 -0.210 0.000 0.872 355 V CB 1.462 33.252 31.823 -0.054 0.000 0.998 355 V HN 0.916 nan 8.190 nan 0.000 0.423 356 L N 4.608 125.695 121.223 -0.226 0.000 2.406 356 L HA 1.009 5.349 4.340 0.001 0.000 0.272 356 L C 0.028 176.783 176.870 -0.192 0.000 0.980 356 L CA 0.408 55.079 54.840 -0.282 0.000 0.831 356 L CB 1.628 43.410 42.059 -0.462 0.000 1.253 356 L HN 0.718 nan 8.230 nan 0.000 0.406 357 G N 1.402 110.139 108.800 -0.104 0.000 3.140 357 G HA2 0.657 4.617 3.960 0.001 0.000 0.271 357 G HA3 0.657 4.617 3.960 0.001 0.000 0.271 357 G C 0.049 174.968 174.900 0.032 0.000 1.370 357 G CA -0.323 44.775 45.100 -0.002 0.000 1.014 357 G HN 1.320 nan 8.290 nan 0.000 0.541 358 G N -2.623 106.231 108.800 0.089 0.000 3.246 358 G HA2 0.447 4.407 3.960 0.001 0.000 0.218 358 G HA3 0.447 4.407 3.960 0.001 0.000 0.218 358 G C 1.224 176.212 174.900 0.146 0.000 0.978 358 G CA 1.171 46.343 45.100 0.121 0.000 0.825 358 G HN 2.460 nan 8.290 nan 0.000 0.546 359 G N 0.543 109.434 108.800 0.151 0.000 2.583 359 G HA2 -0.389 3.572 3.960 0.001 0.000 0.292 359 G HA3 -0.389 3.572 3.960 0.001 0.000 0.292 359 G C 0.732 175.811 174.900 0.297 0.000 1.203 359 G CA 1.106 46.325 45.100 0.199 0.000 0.987 359 G HN 0.874 nan 8.290 nan 0.000 0.554 360 H N 1.311 120.455 119.070 0.123 0.000 2.422 360 H HA -0.104 4.453 4.556 0.001 0.000 0.298 360 H C 3.036 178.458 175.328 0.156 0.000 1.098 360 H CA 1.757 57.881 56.048 0.128 0.000 1.315 360 H CB -0.061 29.773 29.762 0.119 0.000 1.382 360 H HN 0.581 nan 8.280 nan 0.000 0.523 361 S N 1.422 117.300 115.700 0.296 0.000 2.442 361 S HA -0.122 4.348 4.470 0.001 0.000 0.236 361 S C 1.747 176.563 174.600 0.360 0.000 1.007 361 S CA 1.268 59.633 58.200 0.275 0.000 0.965 361 S CB -0.615 62.717 63.200 0.219 0.000 0.773 361 S HN 0.613 nan 8.310 nan 0.000 0.504 362 I N -2.594 118.195 120.570 0.366 0.000 3.936 362 I HA 0.664 4.834 4.170 0.001 0.000 0.330 362 I C 1.715 178.098 176.117 0.443 0.000 1.509 362 I CA -0.133 61.490 61.300 0.538 0.000 1.126 362 I CB -0.058 38.200 38.000 0.429 0.000 1.115 362 I HN 0.157 nan 8.210 nan 0.000 0.424 363 A N 1.253 124.231 122.820 0.263 0.000 1.978 363 A HA -0.144 4.176 4.320 0.001 0.000 0.220 363 A C 2.328 179.944 177.584 0.054 0.000 1.170 363 A CA 2.103 54.220 52.037 0.133 0.000 0.636 363 A CB -0.680 18.356 19.000 0.061 0.000 0.810 363 A HN 0.530 nan 8.150 nan 0.000 0.448 364 S N -0.639 115.009 115.700 -0.088 0.000 2.537 364 S HA -0.041 4.430 4.470 0.001 0.000 0.240 364 S C 1.551 176.034 174.600 -0.196 0.000 0.981 364 S CA 0.768 58.740 58.200 -0.380 0.000 0.948 364 S CB -0.506 62.094 63.200 -1.000 0.000 0.759 364 S HN 0.626 nan 8.310 nan 0.000 0.531 365 I N 2.311 123.006 120.570 0.209 0.000 2.567 365 I HA -0.250 3.920 4.170 0.001 0.000 0.257 365 I C 2.429 178.723 176.117 0.296 0.000 1.184 365 I CA 1.088 62.692 61.300 0.506 0.000 1.451 365 I CB -0.210 38.095 38.000 0.508 0.000 1.089 365 I HN 0.436 nan 8.210 nan 0.000 0.441 366 Q N 0.464 120.341 119.800 0.128 0.000 2.561 366 Q HA -0.194 4.147 4.340 0.001 0.000 0.217 366 Q C 1.341 177.325 176.000 -0.028 0.000 0.980 366 Q CA 1.056 56.886 55.803 0.046 0.000 0.927 366 Q CB -0.208 28.535 28.738 0.009 0.000 0.980 366 Q HN 0.477 nan 8.270 nan 0.000 0.525 367 K N -0.676 119.667 120.400 -0.095 0.000 2.353 367 K HA 0.090 4.410 4.320 0.001 0.000 0.195 367 K C -0.012 176.265 176.600 -0.539 0.000 1.031 367 K CA 0.129 56.196 56.287 -0.366 0.000 1.079 367 K CB 0.568 32.714 32.500 -0.591 0.000 0.857 367 K HN 0.252 nan 8.250 nan 0.000 0.535 368 Y N 0.111 120.439 120.300 0.047 0.000 2.481 368 Y HA 0.231 4.781 4.550 0.000 0.000 0.247 368 Y C 0.987 176.924 175.900 0.062 0.000 1.151 368 Y CA -0.439 57.703 58.100 0.070 0.000 1.238 368 Y CB 0.810 39.350 38.460 0.134 0.000 1.179 368 Y HN 0.052 nan 8.280 nan 0.000 0.524 369 G N 2.274 111.153 108.800 0.133 0.000 2.369 369 G HA2 -0.302 3.659 3.960 0.001 0.000 0.286 369 G HA3 -0.302 3.659 3.960 0.001 0.000 0.286 369 G C -0.156 174.809 174.900 0.108 0.000 0.938 369 G CA 0.141 45.295 45.100 0.090 0.000 1.271 369 G HN 0.427 nan 8.290 nan 0.000 0.488 370 I N 1.491 122.140 120.570 0.132 0.000 2.325 370 I HA 0.400 4.570 4.170 0.001 0.000 0.291 370 I C 0.955 177.102 176.117 0.050 0.000 1.019 370 I CA -0.167 61.197 61.300 0.106 0.000 1.302 370 I CB 1.309 39.396 38.000 0.144 0.000 1.401 370 I HN 0.386 nan 8.210 nan 0.000 0.485 371 T N 1.127 115.699 114.554 0.030 0.000 2.908 371 T HA 0.747 5.097 4.350 0.001 0.000 0.290 371 T C 0.564 175.259 174.700 -0.008 0.000 1.034 371 T CA -0.022 62.081 62.100 0.005 0.000 1.010 371 T CB 2.107 70.979 68.868 0.007 0.000 1.068 371 T HN 0.929 nan 8.240 nan 0.000 0.481 372 G N 1.367 110.151 108.800 -0.025 0.000 2.316 372 G HA2 -0.141 3.819 3.960 0.001 0.000 0.203 372 G HA3 -0.141 3.819 3.960 0.001 0.000 0.203 372 G C 0.069 174.930 174.900 -0.064 0.000 0.999 372 G CA -0.417 44.663 45.100 -0.033 0.000 0.649 372 G HN 0.917 nan 8.290 nan 0.000 0.489 373 I N 2.911 123.428 120.570 -0.089 0.000 2.598 373 I HA 0.116 4.286 4.170 0.001 0.000 0.284 373 I C 2.103 178.124 176.117 -0.160 0.000 1.140 373 I CA 0.649 61.862 61.300 -0.145 0.000 1.420 373 I CB 1.061 38.954 38.000 -0.178 0.000 1.387 373 I HN 0.147 nan 8.210 nan 0.000 0.553 374 T N 3.576 117.995 114.554 -0.224 0.000 2.684 374 T HA -0.230 4.121 4.350 0.001 0.000 0.267 374 T C 0.436 175.043 174.700 -0.155 0.000 1.036 374 T CA 1.565 63.524 62.100 -0.235 0.000 1.148 374 T CB -0.270 68.291 68.868 -0.510 0.000 0.863 374 T HN 0.645 nan 8.240 nan 0.000 0.436 375 H N -0.583 118.290 119.070 -0.328 0.000 3.096 375 H HA 0.512 5.068 4.556 0.001 0.000 0.335 375 H C -1.524 173.682 175.328 -0.203 0.000 0.990 375 H CA -0.830 55.078 56.048 -0.233 0.000 1.393 375 H CB 0.514 30.138 29.762 -0.231 0.000 1.742 375 H HN 0.088 nan 8.280 nan 0.000 0.501 376 I N 4.512 124.723 120.570 -0.598 0.000 2.306 376 I HA 0.164 4.335 4.170 0.001 0.000 0.288 376 I C 0.356 176.088 176.117 -0.642 0.000 1.036 376 I CA -0.384 60.634 61.300 -0.469 0.000 1.221 376 I CB 1.115 38.949 38.000 -0.276 0.000 1.385 376 I HN 0.525 nan 8.210 nan 0.000 0.472 377 S N 3.392 118.816 115.700 -0.460 0.000 2.585 377 S HA 0.111 4.581 4.470 0.001 0.000 0.273 377 S C 1.393 175.977 174.600 -0.027 0.000 1.339 377 S CA -0.257 57.818 58.200 -0.208 0.000 1.028 377 S CB 0.913 64.154 63.200 0.068 0.000 0.906 377 S HN 0.758 nan 8.310 nan 0.000 0.528 378 T N 1.396 116.005 114.554 0.092 0.000 3.100 378 T HA 0.272 4.622 4.350 0.001 0.000 0.253 378 T C 0.873 175.700 174.700 0.212 0.000 1.118 378 T CA 0.148 62.334 62.100 0.143 0.000 1.058 378 T CB -0.357 68.606 68.868 0.158 0.000 0.953 378 T HN 0.656 nan 8.240 nan 0.000 0.515 379 G N -0.518 108.472 108.800 0.317 0.000 2.420 379 G HA2 0.557 4.517 3.960 0.001 0.000 0.284 379 G HA3 0.557 4.517 3.960 0.001 0.000 0.284 379 G C 0.458 175.448 174.900 0.149 0.000 1.177 379 G CA -0.267 44.983 45.100 0.250 0.000 0.841 379 G HN 0.351 nan 8.290 nan 0.000 0.527 380 G N 0.623 109.452 108.800 0.049 0.000 2.446 380 G HA2 0.362 4.322 3.960 0.001 0.000 0.200 380 G HA3 0.362 4.322 3.960 0.001 0.000 0.200 380 G C 1.550 176.427 174.900 -0.038 0.000 1.707 380 G CA 0.929 46.054 45.100 0.042 0.000 0.697 380 G HN 0.936 nan 8.290 nan 0.000 0.675 381 G N 1.197 109.920 108.800 -0.128 0.000 2.442 381 G HA2 0.073 4.033 3.960 0.001 0.000 0.219 381 G HA3 0.073 4.033 3.960 0.001 0.000 0.219 381 G C 1.990 176.519 174.900 -0.618 0.000 1.141 381 G CA 1.911 46.852 45.100 -0.265 0.000 0.763 381 G HN 0.784 nan 8.290 nan 0.000 0.554 382 A N 0.476 122.797 122.820 -0.833 0.000 1.902 382 A HA 0.011 4.331 4.320 0.001 0.000 0.217 382 A C 2.341 179.779 177.584 -0.243 0.000 1.181 382 A CA 1.944 53.524 52.037 -0.762 0.000 0.623 382 A CB -0.367 18.178 19.000 -0.758 0.000 0.818 382 A HN 0.443 nan 8.150 nan 0.000 0.443 383 M N -0.618 118.981 119.600 -0.001 0.000 2.132 383 M HA -0.035 4.445 4.480 0.001 0.000 0.263 383 M C 1.823 178.337 176.300 0.356 0.000 1.065 383 M CA 1.480 56.960 55.300 0.300 0.000 1.122 383 M CB -0.242 32.579 32.600 0.367 0.000 1.365 383 M HN 0.388 nan 8.290 nan 0.000 0.411 384 L N -0.799 120.542 121.223 0.196 0.000 2.083 384 L HA -0.191 4.150 4.340 0.001 0.000 0.209 384 L C 2.697 179.663 176.870 0.160 0.000 1.083 384 L CA 1.420 56.382 54.840 0.203 0.000 0.752 384 L CB -0.811 41.307 42.059 0.098 0.000 0.899 384 L HN 0.414 nan 8.230 nan 0.000 0.433 385 S N -0.261 115.475 115.700 0.060 0.000 2.368 385 S HA -0.223 4.247 4.470 0.001 0.000 0.225 385 S C 1.971 176.597 174.600 0.043 0.000 1.030 385 S CA 1.173 59.400 58.200 0.044 0.000 0.999 385 S CB -0.321 62.892 63.200 0.021 0.000 0.844 385 S HN 0.401 nan 8.310 nan 0.000 0.459 386 F N 1.144 121.042 119.950 -0.087 0.000 2.102 386 F HA 0.020 4.547 4.527 0.001 0.000 0.298 386 F C 1.464 177.056 175.800 -0.347 0.000 1.105 386 F CA 1.566 59.419 58.000 -0.244 0.000 1.239 386 F CB -0.460 38.353 39.000 -0.311 0.000 0.991 386 F HN 0.264 nan 8.300 nan 0.000 0.474 387 F N -0.041 120.016 119.950 0.177 0.000 2.802 387 F HA 0.116 4.644 4.527 0.000 0.000 0.300 387 F C 2.109 177.975 175.800 0.110 0.000 1.168 387 F CA 0.480 58.600 58.000 0.200 0.000 1.433 387 F CB -0.544 38.713 39.000 0.429 0.000 1.115 387 F HN 0.083 nan 8.300 nan 0.000 0.582 388 A N -0.366 122.523 122.820 0.115 0.000 2.238 388 A HA 0.451 4.771 4.320 0.001 0.000 0.210 388 A C 1.953 179.529 177.584 -0.014 0.000 1.179 388 A CA 0.681 52.761 52.037 0.071 0.000 0.827 388 A CB -0.687 18.349 19.000 0.061 0.000 0.856 388 A HN 0.481 nan 8.150 nan 0.000 0.488 389 G N -0.235 108.466 108.800 -0.164 0.000 2.136 389 G HA2 -0.218 3.743 3.960 0.001 0.000 0.242 389 G HA3 -0.218 3.743 3.960 0.001 0.000 0.242 389 G C -0.254 174.538 174.900 -0.180 0.000 0.989 389 G CA 0.263 45.228 45.100 -0.225 0.000 0.682 389 G HN 0.631 nan 8.290 nan 0.000 0.522 390 E N 0.383 120.492 120.200 -0.153 0.000 2.249 390 E HA 0.400 4.751 4.350 0.001 0.000 0.280 390 E C 0.268 176.818 176.600 -0.084 0.000 1.016 390 E CA -0.595 55.758 56.400 -0.077 0.000 0.830 390 E CB 1.396 31.084 29.700 -0.021 0.000 1.081 390 E HN 0.455 nan 8.360 nan 0.000 0.395 391 E N 3.087 123.260 120.200 -0.045 0.000 2.384 391 E HA 0.043 4.393 4.350 0.001 0.000 0.266 391 E C -0.834 175.777 176.600 0.020 0.000 1.012 391 E CA -0.258 56.131 56.400 -0.018 0.000 0.901 391 E CB 0.568 30.265 29.700 -0.005 0.000 0.967 391 E HN 0.369 nan 8.360 nan 0.000 0.435 392 L N 7.266 128.520 121.223 0.052 0.000 2.260 392 L HA 0.197 4.538 4.340 0.001 0.000 0.289 392 L C -1.722 175.180 176.870 0.054 0.000 1.057 392 L CA -1.812 53.070 54.840 0.069 0.000 0.811 392 L CB 1.072 43.192 42.059 0.102 0.000 1.184 392 L HN 0.527 nan 8.230 nan 0.000 0.429 393 P HA -0.205 nan 4.420 nan 0.000 0.216 393 P C 1.737 179.064 177.300 0.044 0.000 1.157 393 P CA 1.004 64.122 63.100 0.030 0.000 0.880 393 P CB 0.274 31.979 31.700 0.009 0.000 0.791 394 V N -1.307 118.635 119.914 0.047 0.000 2.343 394 V HA -0.226 3.894 4.120 0.001 0.000 0.247 394 V C 2.331 178.474 176.094 0.081 0.000 1.051 394 V CA 1.656 63.995 62.300 0.066 0.000 1.036 394 V CB -1.159 30.699 31.823 0.060 0.000 0.654 394 V HN 0.033 nan 8.190 nan 0.000 0.451 395 L N -0.313 120.959 121.223 0.083 0.000 2.093 395 L HA -0.093 4.248 4.340 0.001 0.000 0.208 395 L C 2.537 179.447 176.870 0.067 0.000 1.085 395 L CA 1.883 56.774 54.840 0.084 0.000 0.755 395 L CB -0.892 41.227 42.059 0.100 0.000 0.904 395 L HN 0.259 nan 8.230 nan 0.000 0.435 396 R N -0.296 120.241 120.500 0.060 0.000 2.081 396 R HA -0.164 4.176 4.340 0.001 0.000 0.235 396 R C 2.218 178.557 176.300 0.065 0.000 1.131 396 R CA 1.419 57.550 56.100 0.051 0.000 0.960 396 R CB -0.237 30.087 30.300 0.040 0.000 0.856 396 R HN 0.325 nan 8.270 nan 0.000 0.436 397 A N 1.022 123.889 122.820 0.077 0.000 1.902 397 A HA -0.111 4.209 4.320 0.001 0.000 0.217 397 A C 2.189 179.854 177.584 0.134 0.000 1.181 397 A CA 1.155 53.253 52.037 0.102 0.000 0.623 397 A CB -0.521 18.545 19.000 0.109 0.000 0.818 397 A HN 0.359 nan 8.150 nan 0.000 0.443 398 L N -0.832 120.466 121.223 0.125 0.000 2.042 398 L HA -0.282 4.059 4.340 0.001 0.000 0.210 398 L C 2.926 179.872 176.870 0.127 0.000 1.076 398 L CA 1.759 56.685 54.840 0.143 0.000 0.749 398 L CB -0.519 41.603 42.059 0.105 0.000 0.893 398 L HN 0.490 nan 8.230 nan 0.000 0.432 399 Q N -0.294 119.553 119.800 0.078 0.000 2.079 399 Q HA -0.179 4.161 4.340 0.001 0.000 0.200 399 Q C 2.305 178.368 176.000 0.105 0.000 0.974 399 Q CA 1.411 57.249 55.803 0.058 0.000 0.840 399 Q CB -0.088 28.667 28.738 0.027 0.000 0.898 399 Q HN 0.525 nan 8.270 nan 0.000 0.430 400 I N 0.032 120.662 120.570 0.100 0.000 2.315 400 I HA -0.261 3.909 4.170 0.001 0.000 0.248 400 I C 2.541 178.737 176.117 0.131 0.000 1.117 400 I CA 0.848 62.203 61.300 0.091 0.000 1.404 400 I CB -0.258 37.788 38.000 0.076 0.000 1.071 400 I HN 0.171 nan 8.210 nan 0.000 0.419 401 S N -0.017 115.817 115.700 0.223 0.000 2.368 401 S HA -0.243 4.227 4.470 0.001 0.000 0.224 401 S C 2.126 176.994 174.600 0.447 0.000 1.029 401 S CA 1.218 59.656 58.200 0.396 0.000 0.988 401 S CB -0.361 63.125 63.200 0.477 0.000 0.838 401 S HN 0.472 nan 8.310 nan 0.000 0.462 402 Y N 2.052 122.378 120.300 0.042 0.000 2.089 402 Y HA -0.083 4.467 4.550 0.000 0.000 0.282 402 Y C 2.192 177.976 175.900 -0.193 0.000 1.139 402 Y CA 2.285 60.107 58.100 -0.464 0.000 1.123 402 Y CB -0.570 37.559 38.460 -0.551 0.000 0.980 402 Y HN 0.353 nan 8.280 nan 0.000 0.493 403 E N -0.261 119.946 120.200 0.012 0.000 2.331 403 E HA -0.211 4.139 4.350 0.001 0.000 0.199 403 E C 1.973 178.512 176.600 -0.102 0.000 1.008 403 E CA 0.811 57.181 56.400 -0.049 0.000 0.843 403 E CB -0.015 29.704 29.700 0.032 0.000 0.761 403 E HN 0.246 nan 8.360 nan 0.000 0.507 404 K N 0.067 120.407 120.400 -0.101 0.000 2.168 404 K HA 0.052 4.372 4.320 0.001 0.000 0.201 404 K C 0.365 176.749 176.600 -0.360 0.000 1.049 404 K CA 0.572 56.694 56.287 -0.275 0.000 0.974 404 K CB 0.245 32.495 32.500 -0.417 0.000 0.792 404 K HN -0.075 nan 8.250 nan 0.000 0.463 405 F N 0.000 120.067 119.950 0.194 0.000 2.286 405 F HA 0.000 4.527 4.527 0.000 0.000 0.279 405 F CA 0.000 58.166 58.000 0.277 0.000 1.383 405 F CB 0.000 39.238 39.000 0.396 0.000 1.145 405 F HN 0.000 nan 8.300 nan 0.000 0.574