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 3lwt_1_X DATA FIRST_RESID 0 DATA SEQUENCE SMTGPIVYVQ NADGIFFKLA EGKGTNDAVI HLANQDQGVR VLGAEEFPVQ DATA SEQUENCE GEVVKIASLM GFIKLKLNRY AIIANTVEET GRFNGHVFYR VLQHSIVSTK DATA SEQUENCE FNSRIDSEEA EYIKLLELHL KNSTFYFSYT YDLTNSLQRN EKVGPAASWK DATA SEQUENCE TADERFFWNH YLTEDLRNFA HQDPRIDSFI QPVIYGYAKT VDAVLNATPI DATA SEQUENCE VLGLITRRSI FRAGTRYFRR GVDKDGNVGN FNETEQILLA ENPESEKIHV DATA SEQUENCE FSFLQTRGSV PIYWAEINNL KYKPNLVLGE NSLDATKKHF DQQKELYGDN DATA SEQUENCE YLVNLVNQKG HELPVKEGYE SVVHALNDPK IHYVYFDFHH ECRKMQWHRV DATA SEQUENCE KLLIDHLEKL GLSNEDFFHK VIDSNGNTVE IVNEQHSVVR TNCMDCLDRT DATA SEQUENCE NVVQSVLAQW VLQKEFESAD VVATGSTWED NAPLLTSYQN LWADNADAVS DATA SEQUENCE VAYSGTG 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.633 174.600 0.054 0.000 1.055 0 S CA 0.000 58.261 58.200 0.101 0.000 1.107 0 S CB 0.000 63.295 63.200 0.158 0.000 0.593 1 M N 1.678 121.311 119.600 0.055 0.000 2.175 1 M HA 0.018 4.497 4.480 -0.002 0.000 0.264 1 M C 1.437 177.723 176.300 -0.023 0.000 1.063 1 M CA 1.709 57.023 55.300 0.024 0.000 1.119 1 M CB -1.685 30.951 32.600 0.059 0.000 1.377 1 M HN 1.026 nan 8.290 nan 0.000 0.415 2 T N -0.575 113.994 114.554 0.026 0.000 2.849 2 T HA 0.610 4.959 4.350 -0.002 0.000 0.284 2 T C 0.364 174.957 174.700 -0.178 0.000 1.004 2 T CA -0.131 61.963 62.100 -0.010 0.000 1.021 2 T CB 1.802 70.760 68.868 0.149 0.000 1.013 2 T HN 0.440 nan 8.240 nan 0.000 0.527 3 G N 0.581 109.150 108.800 -0.385 0.000 2.356 3 G HA2 0.523 4.482 3.960 -0.002 0.000 0.294 3 G HA3 0.523 4.482 3.960 -0.002 0.000 0.294 3 G C -3.393 171.201 174.900 -0.510 0.000 1.423 3 G CA -1.194 43.409 45.100 -0.828 0.000 0.806 3 G HN 0.664 nan 8.290 nan 0.000 0.527 4 P HA 0.415 nan 4.420 nan 0.000 0.269 4 P C -0.311 176.954 177.300 -0.058 0.000 1.211 4 P CA 0.091 63.143 63.100 -0.081 0.000 0.781 4 P CB 0.649 32.319 31.700 -0.050 0.000 0.877 5 I N 0.276 120.878 120.570 0.054 0.000 2.934 5 I HA 0.443 4.612 4.170 -0.002 0.000 0.306 5 I C -0.246 175.987 176.117 0.193 0.000 1.110 5 I CA -1.131 60.245 61.300 0.127 0.000 1.019 5 I CB 2.309 40.449 38.000 0.234 0.000 1.227 5 I HN 0.086 nan 8.210 nan 0.000 0.434 6 V N 1.818 121.871 119.914 0.232 0.000 2.914 6 V HA 0.700 4.819 4.120 -0.002 0.000 0.314 6 V C -1.398 174.955 176.094 0.431 0.000 1.084 6 V CA -0.607 61.827 62.300 0.224 0.000 0.963 6 V CB 1.646 33.521 31.823 0.086 0.000 1.025 6 V HN 0.737 nan 8.190 nan 0.000 0.432 7 Y N 1.224 121.668 120.300 0.240 0.000 2.609 7 Y HA 0.927 5.476 4.550 -0.002 0.000 0.342 7 Y C -1.404 174.548 175.900 0.088 0.000 1.058 7 Y CA -1.700 56.477 58.100 0.128 0.000 1.055 7 Y CB 1.833 40.084 38.460 -0.347 0.000 1.292 7 Y HN 0.561 nan 8.280 nan 0.000 0.476 8 V N 2.906 122.915 119.914 0.160 0.000 2.588 8 V HA 0.431 4.549 4.120 -0.002 0.000 0.304 8 V C -1.009 175.163 176.094 0.130 0.000 1.042 8 V CA -0.681 61.616 62.300 -0.004 0.000 0.877 8 V CB 1.694 33.340 31.823 -0.294 0.000 0.996 8 V HN 0.887 nan 8.190 nan 0.000 0.425 9 Q N 4.197 124.093 119.800 0.160 0.000 2.337 9 Q HA 0.626 4.965 4.340 -0.002 0.000 0.266 9 Q C -0.789 175.271 176.000 0.100 0.000 1.023 9 Q CA -0.526 55.373 55.803 0.160 0.000 0.829 9 Q CB 1.955 30.808 28.738 0.191 0.000 1.306 9 Q HN 0.974 nan 8.270 nan 0.000 0.449 10 N N 1.795 120.570 118.700 0.124 0.000 3.387 10 N HA 0.403 5.142 4.740 -0.002 0.000 0.322 10 N C -0.248 175.319 175.510 0.096 0.000 1.588 10 N CA -0.128 52.968 53.050 0.077 0.000 0.778 10 N CB 0.111 38.610 38.487 0.021 0.000 1.883 10 N HN 0.433 nan 8.380 nan 0.000 0.628 11 A N -0.963 121.894 122.820 0.061 0.000 2.070 11 A HA -0.085 4.234 4.320 -0.002 0.000 0.220 11 A C 0.787 178.421 177.584 0.082 0.000 1.159 11 A CA 1.510 53.582 52.037 0.058 0.000 0.656 11 A CB -0.782 18.227 19.000 0.014 0.000 0.800 11 A HN 0.648 nan 8.150 nan 0.000 0.453 12 D N -1.070 119.412 120.400 0.136 0.000 2.355 12 D HA 0.337 4.976 4.640 -0.002 0.000 0.218 12 D C 1.192 177.614 176.300 0.204 0.000 1.004 12 D CA 1.302 55.413 54.000 0.185 0.000 0.880 12 D CB 0.446 41.403 40.800 0.262 0.000 0.911 12 D HN 0.570 nan 8.370 nan 0.000 0.528 13 G N 0.136 109.030 108.800 0.157 0.000 2.255 13 G HA2 -0.052 3.906 3.960 -0.002 0.000 0.216 13 G HA3 -0.052 3.906 3.960 -0.002 0.000 0.216 13 G C -1.225 173.674 174.900 -0.002 0.000 1.307 13 G CA -0.774 44.328 45.100 0.004 0.000 1.162 13 G HN 0.087 nan 8.290 nan 0.000 0.494 14 I N 0.388 120.866 120.570 -0.153 0.000 2.441 14 I HA 0.656 4.824 4.170 -0.002 0.000 0.295 14 I C -0.916 174.995 176.117 -0.343 0.000 0.994 14 I CA -0.614 60.569 61.300 -0.195 0.000 1.144 14 I CB 1.713 39.532 38.000 -0.303 0.000 1.314 14 I HN 0.313 nan 8.210 nan 0.000 0.445 15 F N 4.893 124.651 119.950 -0.319 0.000 2.518 15 F HA 0.565 5.091 4.527 -0.002 0.000 0.323 15 F C -0.585 175.165 175.800 -0.083 0.000 1.129 15 F CA -0.549 57.340 58.000 -0.187 0.000 0.920 15 F CB 1.594 40.301 39.000 -0.488 0.000 1.160 15 F HN 0.160 nan 8.300 nan 0.000 0.440 16 F N 2.419 122.695 119.950 0.544 0.000 2.532 16 F HA 0.678 5.204 4.527 -0.002 0.000 0.321 16 F C -0.319 175.873 175.800 0.652 0.000 1.089 16 F CA -0.947 57.415 58.000 0.604 0.000 0.926 16 F CB 2.271 41.522 39.000 0.420 0.000 1.168 16 F HN 0.351 nan 8.300 nan 0.000 0.459 17 K N 1.234 122.065 120.400 0.719 0.000 2.522 17 K HA 0.646 4.965 4.320 -0.002 0.000 0.275 17 K C -1.886 174.832 176.600 0.195 0.000 1.006 17 K CA -1.143 55.426 56.287 0.470 0.000 0.890 17 K CB 1.555 34.058 32.500 0.005 0.000 1.475 17 K HN 0.314 nan 8.250 nan 0.000 0.441 18 L N 1.903 123.104 121.223 -0.038 0.000 2.453 18 L HA 0.147 4.486 4.340 -0.002 0.000 0.272 18 L C 1.505 178.310 176.870 -0.108 0.000 1.182 18 L CA 0.634 55.368 54.840 -0.176 0.000 0.858 18 L CB 0.779 42.690 42.059 -0.246 0.000 1.120 18 L HN 1.045 nan 8.230 nan 0.000 0.474 19 A N 3.819 126.585 122.820 -0.090 0.000 1.933 19 A HA -0.091 4.228 4.320 -0.002 0.000 0.218 19 A C 0.709 178.240 177.584 -0.088 0.000 1.175 19 A CA 1.159 53.150 52.037 -0.076 0.000 0.628 19 A CB -0.255 18.714 19.000 -0.052 0.000 0.814 19 A HN 0.736 nan 8.150 nan 0.000 0.444 20 E N -0.182 119.959 120.200 -0.098 0.000 2.145 20 E HA 0.425 4.774 4.350 -0.002 0.000 0.262 20 E C -0.576 175.975 176.600 -0.082 0.000 0.883 20 E CA -0.437 55.914 56.400 -0.081 0.000 0.748 20 E CB 1.444 31.102 29.700 -0.070 0.000 1.140 20 E HN 0.294 nan 8.360 nan 0.000 0.417 21 G N 3.693 112.451 108.800 -0.071 0.000 2.448 21 G HA2 0.047 4.006 3.960 -0.002 0.000 0.309 21 G HA3 0.047 4.006 3.960 -0.002 0.000 0.309 21 G C 0.033 174.910 174.900 -0.039 0.000 1.027 21 G CA -0.312 44.753 45.100 -0.058 0.000 1.104 21 G HN 0.229 nan 8.290 nan 0.000 0.428 22 K N 2.629 123.009 120.400 -0.034 0.000 2.270 22 K HA 0.507 4.825 4.320 -0.002 0.000 0.276 22 K C 0.902 177.498 176.600 -0.008 0.000 1.023 22 K CA 0.728 57.003 56.287 -0.019 0.000 0.955 22 K CB 0.549 33.040 32.500 -0.015 0.000 0.975 22 K HN 0.951 nan 8.250 nan 0.000 0.471 23 G N 1.294 110.092 108.800 -0.002 0.000 2.828 23 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.463 23 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.463 23 G C 0.058 174.961 174.900 0.004 0.000 1.394 23 G CA 0.000 45.103 45.100 0.005 0.000 0.862 23 G HN 0.590 nan 8.290 nan 0.000 0.540 24 T N -0.326 114.234 114.554 0.010 0.000 3.266 24 T HA 0.336 4.685 4.350 -0.002 0.000 0.278 24 T C 0.983 175.694 174.700 0.017 0.000 1.010 24 T CA 0.810 62.916 62.100 0.010 0.000 0.909 24 T CB -0.658 68.215 68.868 0.009 0.000 1.122 24 T HN 1.299 nan 8.240 nan 0.000 0.536 25 N N -0.418 118.296 118.700 0.023 0.000 2.301 25 N HA 0.190 4.929 4.740 -0.002 0.000 0.247 25 N C -1.058 174.480 175.510 0.048 0.000 1.347 25 N CA -0.421 52.649 53.050 0.034 0.000 0.844 25 N CB -0.045 38.463 38.487 0.035 0.000 1.332 25 N HN 0.161 nan 8.380 nan 0.000 0.494 26 D N 1.232 121.659 120.400 0.046 0.000 2.304 26 D HA 0.553 5.192 4.640 -0.002 0.000 0.250 26 D C -0.153 176.214 176.300 0.112 0.000 1.107 26 D CA -0.122 53.920 54.000 0.069 0.000 0.885 26 D CB 1.539 42.361 40.800 0.036 0.000 1.192 26 D HN 0.434 nan 8.370 nan 0.000 0.436 27 A N 1.994 124.922 122.820 0.180 0.000 2.302 27 A HA 0.577 4.896 4.320 -0.002 0.000 0.285 27 A C -0.586 177.164 177.584 0.277 0.000 1.105 27 A CA -0.501 51.654 52.037 0.197 0.000 0.816 27 A CB 0.807 19.944 19.000 0.228 0.000 1.067 27 A HN 0.405 nan 8.150 nan 0.000 0.489 28 V N 3.121 123.136 119.914 0.169 0.000 2.604 28 V HA 0.340 4.459 4.120 -0.002 0.000 0.305 28 V C -0.527 175.567 176.094 0.001 0.000 1.043 28 V CA -0.568 61.870 62.300 0.231 0.000 0.888 28 V CB 1.660 33.690 31.823 0.345 0.000 0.995 28 V HN 0.701 nan 8.190 nan 0.000 0.429 29 I N 4.127 124.658 120.570 -0.064 0.000 2.336 29 I HA 0.385 4.554 4.170 -0.002 0.000 0.292 29 I C -0.058 176.159 176.117 0.166 0.000 0.991 29 I CA -0.081 61.140 61.300 -0.132 0.000 1.227 29 I CB 0.964 38.726 38.000 -0.396 0.000 1.366 29 I HN 0.737 nan 8.210 nan 0.000 0.466 30 H N 6.882 125.863 119.070 -0.149 0.000 2.505 30 H HA 0.381 4.935 4.556 -0.002 0.000 0.338 30 H C -1.353 173.772 175.328 -0.338 0.000 1.057 30 H CA -0.990 54.850 56.048 -0.347 0.000 1.202 30 H CB 2.222 31.701 29.762 -0.471 0.000 1.466 30 H HN 0.423 nan 8.280 nan 0.000 0.499 31 L N 5.557 126.541 121.223 -0.397 0.000 2.255 31 L HA 0.454 4.793 4.340 -0.002 0.000 0.289 31 L C -0.584 175.795 176.870 -0.818 0.000 1.046 31 L CA -0.240 54.283 54.840 -0.529 0.000 0.816 31 L CB 0.297 42.240 42.059 -0.192 0.000 1.197 31 L HN 0.674 nan 8.230 nan 0.000 0.427 32 A N 3.814 126.075 122.820 -0.931 0.000 2.328 32 A HA 0.259 4.578 4.320 -0.002 0.000 0.284 32 A C 0.927 178.292 177.584 -0.365 0.000 1.160 32 A CA -0.238 51.319 52.037 -0.800 0.000 0.818 32 A CB 0.138 18.782 19.000 -0.594 0.000 1.087 32 A HN 0.877 nan 8.150 nan 0.000 0.504 33 N N 1.727 120.299 118.700 -0.212 0.000 2.244 33 N HA -0.192 4.547 4.740 -0.002 0.000 0.183 33 N C 1.512 176.959 175.510 -0.105 0.000 1.016 33 N CA 2.048 55.023 53.050 -0.126 0.000 0.866 33 N CB -0.136 38.324 38.487 -0.045 0.000 0.980 33 N HN 0.771 nan 8.380 nan 0.000 0.430 34 Q N -0.153 119.592 119.800 -0.090 0.000 2.045 34 Q HA -0.141 4.198 4.340 -0.002 0.000 0.206 34 Q C 0.641 176.591 176.000 -0.083 0.000 0.991 34 Q CA 1.957 57.721 55.803 -0.065 0.000 0.851 34 Q CB -0.117 28.593 28.738 -0.047 0.000 0.911 34 Q HN 0.667 nan 8.270 nan 0.000 0.418 35 D N -2.605 117.724 120.400 -0.119 0.000 2.556 35 D HA 0.014 4.653 4.640 -0.002 0.000 0.237 35 D C -0.228 175.982 176.300 -0.151 0.000 1.296 35 D CA -0.021 53.909 54.000 -0.116 0.000 0.807 35 D CB 0.337 41.077 40.800 -0.100 0.000 1.084 35 D HN -0.018 nan 8.370 nan 0.000 0.510 36 Q N -0.458 119.228 119.800 -0.189 0.000 2.393 36 Q HA -0.120 4.219 4.340 -0.002 0.000 0.235 36 Q C 0.668 176.507 176.000 -0.267 0.000 0.823 36 Q CA 1.372 57.039 55.803 -0.227 0.000 1.284 36 Q CB -2.301 26.323 28.738 -0.189 0.000 1.669 36 Q HN 0.570 nan 8.270 nan 0.000 0.597 37 G N -0.291 108.348 108.800 -0.267 0.000 2.476 37 G HA2 0.491 4.450 3.960 -0.002 0.000 0.286 37 G HA3 0.491 4.450 3.960 -0.002 0.000 0.286 37 G C -0.130 174.553 174.900 -0.362 0.000 1.177 37 G CA -0.349 44.593 45.100 -0.264 0.000 0.870 37 G HN 0.030 nan 8.290 nan 0.000 0.528 38 V N 1.563 121.277 119.914 -0.333 0.000 2.439 38 V HA 0.502 4.620 4.120 -0.002 0.000 0.282 38 V C 0.359 176.374 176.094 -0.131 0.000 1.039 38 V CA -0.391 61.682 62.300 -0.380 0.000 0.913 38 V CB 0.991 32.529 31.823 -0.475 0.000 0.983 38 V HN 0.774 nan 8.190 nan 0.000 0.460 39 R N 2.809 123.162 120.500 -0.245 0.000 2.837 39 R HA 0.777 5.116 4.340 -0.002 0.000 0.271 39 R C -1.598 174.429 176.300 -0.454 0.000 0.993 39 R CA -0.889 55.054 56.100 -0.261 0.000 0.931 39 R CB 2.457 32.680 30.300 -0.128 0.000 1.206 39 R HN 0.453 nan 8.270 nan 0.000 0.474 40 V N 3.463 123.007 119.914 -0.616 0.000 2.398 40 V HA 0.447 4.565 4.120 -0.002 0.000 0.286 40 V C -0.179 175.799 176.094 -0.194 0.000 1.026 40 V CA -0.566 61.450 62.300 -0.473 0.000 0.868 40 V CB 1.234 32.682 31.823 -0.625 0.000 0.982 40 V HN 0.467 nan 8.190 nan 0.000 0.443 41 L N 3.123 124.302 121.223 -0.074 0.000 2.286 41 L HA 0.793 5.132 4.340 -0.002 0.000 0.265 41 L C 0.869 177.764 176.870 0.041 0.000 1.012 41 L CA -0.782 54.066 54.840 0.014 0.000 0.818 41 L CB 1.665 43.778 42.059 0.090 0.000 1.337 41 L HN 0.708 nan 8.230 nan 0.000 0.438 42 G N -0.598 108.232 108.800 0.050 0.000 2.539 42 G HA2 0.386 4.345 3.960 -0.002 0.000 0.258 42 G HA3 0.386 4.345 3.960 -0.002 0.000 0.258 42 G C 0.839 175.792 174.900 0.088 0.000 1.202 42 G CA 0.195 45.330 45.100 0.057 0.000 0.851 42 G HN 0.838 nan 8.290 nan 0.000 0.556 43 A N 0.568 123.435 122.820 0.079 0.000 1.940 43 A HA -0.100 4.219 4.320 -0.002 0.000 0.219 43 A C 2.126 179.763 177.584 0.089 0.000 1.176 43 A CA 2.023 54.111 52.037 0.084 0.000 0.631 43 A CB -0.282 18.744 19.000 0.043 0.000 0.814 43 A HN 0.723 nan 8.150 nan 0.000 0.446 44 E N 0.841 121.076 120.200 0.058 0.000 2.472 44 E HA -0.162 4.187 4.350 -0.002 0.000 0.200 44 E C 0.784 177.401 176.600 0.028 0.000 1.046 44 E CA 1.280 57.703 56.400 0.038 0.000 0.871 44 E CB -0.450 29.262 29.700 0.019 0.000 0.806 44 E HN 0.790 nan 8.360 nan 0.000 0.533 45 E N -0.176 120.054 120.200 0.050 0.000 2.481 45 E HA 0.126 4.475 4.350 -0.002 0.000 0.198 45 E C -0.308 176.251 176.600 -0.069 0.000 1.027 45 E CA -0.559 55.840 56.400 -0.003 0.000 0.900 45 E CB 0.004 29.728 29.700 0.039 0.000 0.993 45 E HN 0.111 nan 8.360 nan 0.000 0.482 46 F N 3.149 123.027 119.950 -0.121 0.000 2.529 46 F HA 0.147 4.672 4.527 -0.002 0.000 0.365 46 F C -2.053 173.538 175.800 -0.347 0.000 1.102 46 F CA -2.510 55.373 58.000 -0.196 0.000 1.271 46 F CB 0.555 39.523 39.000 -0.053 0.000 1.120 46 F HN -0.176 nan 8.300 nan 0.000 0.579 47 P HA -0.012 nan 4.420 nan 0.000 0.266 47 P C 0.444 177.578 177.300 -0.275 0.000 1.195 47 P CA 0.009 62.686 63.100 -0.706 0.000 0.768 47 P CB 0.805 31.964 31.700 -0.900 0.000 0.838 48 V N 2.089 121.897 119.914 -0.176 0.000 2.300 48 V HA -0.112 4.007 4.120 -0.002 0.000 0.241 48 V C 1.321 177.371 176.094 -0.073 0.000 1.034 48 V CA 1.286 63.544 62.300 -0.071 0.000 1.021 48 V CB -0.979 30.805 31.823 -0.065 0.000 0.662 48 V HN 0.575 nan 8.190 nan 0.000 0.458 49 Q N 0.195 119.931 119.800 -0.107 0.000 2.364 49 Q HA 0.445 4.784 4.340 -0.002 0.000 0.267 49 Q C -0.002 175.939 176.000 -0.098 0.000 0.999 49 Q CA 0.846 56.596 55.803 -0.087 0.000 0.886 49 Q CB 0.808 29.493 28.738 -0.089 0.000 1.243 49 Q HN 0.617 nan 8.270 nan 0.000 0.415 50 G N 2.250 111.012 108.800 -0.064 0.000 2.362 50 G HA2 -0.143 3.815 3.960 -0.002 0.000 0.656 50 G HA3 -0.143 3.815 3.960 -0.002 0.000 0.656 50 G C -1.512 173.363 174.900 -0.041 0.000 1.376 50 G CA -0.604 44.459 45.100 -0.061 0.000 0.971 50 G HN 0.732 nan 8.290 nan 0.000 0.636 51 E N -0.069 120.106 120.200 -0.041 0.000 2.328 51 E HA 0.372 4.721 4.350 -0.002 0.000 0.265 51 E C 0.344 176.906 176.600 -0.063 0.000 1.057 51 E CA -0.494 55.879 56.400 -0.045 0.000 0.916 51 E CB 0.669 30.341 29.700 -0.048 0.000 0.993 51 E HN 0.445 nan 8.360 nan 0.000 0.446 52 V N 5.682 125.572 119.914 -0.040 0.000 2.455 52 V HA 0.104 4.222 4.120 -0.002 0.000 0.273 52 V C 0.108 176.123 176.094 -0.132 0.000 1.045 52 V CA -0.555 61.721 62.300 -0.038 0.000 0.976 52 V CB 1.233 33.076 31.823 0.034 0.000 0.993 52 V HN 0.470 nan 8.190 nan 0.000 0.475 53 V N 6.149 125.882 119.914 -0.301 0.000 2.394 53 V HA 0.357 4.476 4.120 -0.002 0.000 0.282 53 V C 0.190 176.153 176.094 -0.217 0.000 1.031 53 V CA -0.900 61.171 62.300 -0.383 0.000 0.881 53 V CB 1.449 32.721 31.823 -0.918 0.000 0.982 53 V HN 0.842 nan 8.190 nan 0.000 0.451 54 K N 6.250 126.605 120.400 -0.075 0.000 2.183 54 K HA 0.725 5.044 4.320 -0.002 0.000 0.274 54 K C -0.550 176.099 176.600 0.081 0.000 1.009 54 K CA -0.312 55.988 56.287 0.021 0.000 0.888 54 K CB 1.540 34.051 32.500 0.019 0.000 1.078 54 K HN 0.746 nan 8.250 nan 0.000 0.459 55 I N -1.767 118.896 120.570 0.156 0.000 2.730 55 I HA 0.490 4.659 4.170 -0.002 0.000 0.298 55 I C 0.537 176.757 176.117 0.172 0.000 1.089 55 I CA -0.905 60.513 61.300 0.196 0.000 1.041 55 I CB 2.296 40.486 38.000 0.315 0.000 1.235 55 I HN 0.582 nan 8.210 nan 0.000 0.423 56 A N 3.468 126.388 122.820 0.168 0.000 1.930 56 A HA 0.150 4.468 4.320 -0.002 0.000 0.217 56 A C 1.159 178.868 177.584 0.209 0.000 1.175 56 A CA 1.530 53.701 52.037 0.225 0.000 0.627 56 A CB -0.281 18.852 19.000 0.221 0.000 0.815 56 A HN 0.876 nan 8.150 nan 0.000 0.443 57 S N -2.235 113.521 115.700 0.093 0.000 2.543 57 S HA 0.471 4.940 4.470 -0.002 0.000 0.274 57 S C -1.706 172.874 174.600 -0.033 0.000 1.149 57 S CA -0.665 57.510 58.200 -0.041 0.000 0.866 57 S CB 1.052 64.030 63.200 -0.369 0.000 1.111 57 S HN 0.804 nan 8.310 nan 0.000 0.457 58 L N 5.491 126.661 121.223 -0.089 0.000 2.261 58 L HA 0.552 4.891 4.340 -0.002 0.000 0.289 58 L C 0.789 177.500 176.870 -0.266 0.000 1.059 58 L CA 0.240 54.932 54.840 -0.246 0.000 0.816 58 L CB 0.340 42.135 42.059 -0.440 0.000 1.191 58 L HN 0.932 nan 8.230 nan 0.000 0.431 59 M N 3.446 122.899 119.600 -0.244 0.000 2.447 59 M HA 0.327 4.806 4.480 -0.002 0.000 0.264 59 M C 0.951 177.101 176.300 -0.250 0.000 1.095 59 M CA 0.759 55.963 55.300 -0.161 0.000 1.125 59 M CB -0.060 32.517 32.600 -0.038 0.000 1.389 59 M HN 0.868 nan 8.290 nan 0.000 0.459 60 G N -0.244 108.274 108.800 -0.471 0.000 2.339 60 G HA2 0.211 4.170 3.960 -0.002 0.000 0.275 60 G HA3 0.211 4.170 3.960 -0.002 0.000 0.275 60 G C -1.878 172.515 174.900 -0.846 0.000 1.323 60 G CA -1.052 43.692 45.100 -0.595 0.000 0.927 60 G HN 0.094 nan 8.290 nan 0.000 0.486 61 F N -0.404 119.408 119.950 -0.230 0.000 2.603 61 F HA 0.873 5.398 4.527 -0.002 0.000 0.317 61 F C 0.163 175.850 175.800 -0.188 0.000 1.066 61 F CA -0.834 57.060 58.000 -0.178 0.000 0.941 61 F CB 2.468 41.350 39.000 -0.197 0.000 1.291 61 F HN 0.518 nan 8.300 nan 0.000 0.472 62 I N 1.533 122.175 120.570 0.121 0.000 2.722 62 I HA 0.348 4.516 4.170 -0.002 0.000 0.295 62 I C -1.442 174.708 176.117 0.055 0.000 1.161 62 I CA -0.739 60.581 61.300 0.032 0.000 1.032 62 I CB 1.958 40.000 38.000 0.071 0.000 1.244 62 I HN 0.527 nan 8.210 nan 0.000 0.421 63 K N 7.189 127.572 120.400 -0.028 0.000 2.264 63 K HA 0.438 4.757 4.320 -0.002 0.000 0.277 63 K C -1.651 174.854 176.600 -0.159 0.000 1.067 63 K CA -0.616 55.640 56.287 -0.051 0.000 0.900 63 K CB 0.735 33.191 32.500 -0.074 0.000 1.124 63 K HN 0.376 nan 8.250 nan 0.000 0.469 64 L N 5.550 126.684 121.223 -0.149 0.000 2.301 64 L HA 0.287 4.626 4.340 -0.002 0.000 0.278 64 L C 0.633 177.406 176.870 -0.160 0.000 1.022 64 L CA 0.145 54.731 54.840 -0.425 0.000 0.854 64 L CB 0.302 42.066 42.059 -0.491 0.000 1.226 64 L HN 0.860 nan 8.230 nan 0.000 0.429 65 K N 1.365 121.668 120.400 -0.162 0.000 1.673 65 K HA -0.343 3.976 4.320 -0.002 0.000 0.127 65 K C 1.142 177.715 176.600 -0.045 0.000 1.035 65 K CA 2.080 58.329 56.287 -0.064 0.000 0.314 65 K CB -0.978 31.505 32.500 -0.027 0.000 0.670 65 K HN 0.392 nan 8.250 nan 0.000 0.842 66 L N 1.322 122.530 121.223 -0.025 0.000 2.156 66 L HA 0.043 4.381 4.340 -0.002 0.000 0.208 66 L C 0.460 177.295 176.870 -0.058 0.000 1.095 66 L CA 1.714 56.532 54.840 -0.037 0.000 0.770 66 L CB -0.537 41.504 42.059 -0.031 0.000 0.914 66 L HN 0.373 nan 8.230 nan 0.000 0.439 67 N N -0.959 117.718 118.700 -0.039 0.000 2.466 67 N HA 0.383 5.122 4.740 -0.002 0.000 0.294 67 N C -0.633 174.787 175.510 -0.150 0.000 1.129 67 N CA -0.632 52.328 53.050 -0.151 0.000 0.931 67 N CB 1.061 39.390 38.487 -0.263 0.000 1.193 67 N HN -0.031 nan 8.380 nan 0.000 0.500 68 R N 1.539 121.888 120.500 -0.251 0.000 2.407 68 R HA 0.367 4.705 4.340 -0.002 0.000 0.303 68 R C -1.437 174.707 176.300 -0.260 0.000 0.981 68 R CA -0.399 55.615 56.100 -0.144 0.000 0.905 68 R CB 0.605 30.804 30.300 -0.169 0.000 1.099 68 R HN 0.571 nan 8.270 nan 0.000 0.459 69 Y N 1.217 121.540 120.300 0.039 0.000 2.468 69 Y HA 0.553 5.102 4.550 -0.002 0.000 0.342 69 Y C 0.116 176.120 175.900 0.173 0.000 1.021 69 Y CA -1.024 57.125 58.100 0.081 0.000 1.079 69 Y CB 2.317 40.799 38.460 0.037 0.000 1.226 69 Y HN 0.667 nan 8.280 nan 0.000 0.460 70 A N 3.568 126.551 122.820 0.270 0.000 2.309 70 A HA 0.684 5.003 4.320 -0.002 0.000 0.298 70 A C -0.961 176.605 177.584 -0.029 0.000 1.165 70 A CA -0.511 51.542 52.037 0.027 0.000 0.821 70 A CB 0.196 19.267 19.000 0.117 0.000 1.102 70 A HN 0.550 nan 8.150 nan 0.000 0.500 71 I N 3.420 123.871 120.570 -0.197 0.000 2.330 71 I HA 0.395 4.563 4.170 -0.002 0.000 0.289 71 I C -0.351 175.704 176.117 -0.104 0.000 1.001 71 I CA -0.214 61.038 61.300 -0.079 0.000 1.193 71 I CB 0.538 38.493 38.000 -0.075 0.000 1.345 71 I HN 0.474 nan 8.210 nan 0.000 0.461 72 I N 4.509 125.088 120.570 0.016 0.000 2.509 72 I HA 0.519 4.688 4.170 -0.002 0.000 0.293 72 I C 0.285 176.466 176.117 0.107 0.000 1.020 72 I CA -0.736 60.592 61.300 0.047 0.000 1.088 72 I CB 2.322 40.395 38.000 0.122 0.000 1.267 72 I HN 0.635 nan 8.210 nan 0.000 0.430 73 A N 5.544 128.418 122.820 0.090 0.000 2.391 73 A HA 0.345 4.664 4.320 -0.002 0.000 0.316 73 A C 0.582 178.257 177.584 0.151 0.000 1.381 73 A CA -0.450 51.666 52.037 0.131 0.000 0.998 73 A CB -0.231 18.847 19.000 0.130 0.000 1.147 73 A HN 0.845 nan 8.150 nan 0.000 0.545 74 N N 1.004 119.793 118.700 0.149 0.000 2.109 74 N HA -0.057 4.682 4.740 -0.002 0.000 0.188 74 N C 0.720 176.297 175.510 0.112 0.000 1.034 74 N CA 1.884 55.019 53.050 0.141 0.000 0.846 74 N CB 0.111 38.669 38.487 0.117 0.000 1.010 74 N HN 0.786 nan 8.380 nan 0.000 0.425 75 T N -1.390 113.219 114.554 0.092 0.000 2.901 75 T HA 0.644 4.992 4.350 -0.002 0.000 0.293 75 T C -0.261 174.468 174.700 0.049 0.000 1.084 75 T CA -0.904 61.233 62.100 0.061 0.000 1.008 75 T CB 2.246 71.141 68.868 0.046 0.000 1.170 75 T HN -0.032 nan 8.240 nan 0.000 0.509 76 V N -1.436 118.477 119.914 -0.001 0.000 3.130 76 V HA 0.914 5.033 4.120 -0.002 0.000 0.310 76 V C -1.109 175.006 176.094 0.033 0.000 1.158 76 V CA -1.396 60.887 62.300 -0.029 0.000 1.029 76 V CB 1.732 33.414 31.823 -0.234 0.000 1.057 76 V HN 1.269 nan 8.190 nan 0.000 0.436 77 E N 0.193 120.444 120.200 0.085 0.000 2.238 77 E HA 0.535 4.884 4.350 -0.002 0.000 0.267 77 E C -0.759 175.965 176.600 0.206 0.000 0.887 77 E CA -0.740 55.740 56.400 0.133 0.000 0.769 77 E CB 2.702 32.438 29.700 0.061 0.000 1.187 77 E HN 0.854 nan 8.360 nan 0.000 0.416 78 E N 1.601 121.909 120.200 0.181 0.000 2.376 78 E HA 0.016 4.365 4.350 -0.002 0.000 0.266 78 E C -0.044 176.535 176.600 -0.034 0.000 1.009 78 E CA 0.390 56.770 56.400 -0.033 0.000 0.902 78 E CB 0.695 30.351 29.700 -0.073 0.000 0.972 78 E HN 0.742 nan 8.360 nan 0.000 0.439 79 T N 0.532 115.053 114.554 -0.055 0.000 3.004 79 T HA 0.396 4.745 4.350 -0.002 0.000 0.266 79 T C 0.406 175.060 174.700 -0.077 0.000 0.986 79 T CA 0.014 62.103 62.100 -0.018 0.000 0.902 79 T CB 0.847 69.760 68.868 0.075 0.000 1.118 79 T HN 0.422 nan 8.240 nan 0.000 0.522 80 G N 0.485 109.193 108.800 -0.153 0.000 2.646 80 G HA2 0.642 4.600 3.960 -0.002 0.000 0.291 80 G HA3 0.642 4.600 3.960 -0.002 0.000 0.291 80 G C -2.088 172.498 174.900 -0.523 0.000 1.445 80 G CA -1.086 43.821 45.100 -0.322 0.000 0.814 80 G HN 0.384 nan 8.290 nan 0.000 0.495 81 R N 0.055 120.248 120.500 -0.511 0.000 2.515 81 R HA 0.609 4.948 4.340 -0.002 0.000 0.278 81 R C -2.394 173.714 176.300 -0.320 0.000 1.107 81 R CA -0.790 55.042 56.100 -0.447 0.000 0.945 81 R CB 1.577 31.722 30.300 -0.257 0.000 1.219 81 R HN 0.500 nan 8.270 nan 0.000 0.434 82 F N 5.418 125.053 119.950 -0.524 0.000 2.653 82 F HA 0.254 4.780 4.527 -0.002 0.000 0.327 82 F C -0.167 175.507 175.800 -0.211 0.000 1.195 82 F CA -0.439 57.350 58.000 -0.350 0.000 0.993 82 F CB 1.443 40.192 39.000 -0.418 0.000 1.259 82 F HN 0.850 nan 8.300 nan 0.000 0.478 83 N N 4.061 122.483 118.700 -0.464 0.000 2.727 83 N HA -0.193 4.546 4.740 -0.002 0.000 0.249 83 N C 0.820 176.115 175.510 -0.357 0.000 1.048 83 N CA 1.913 54.752 53.050 -0.353 0.000 0.714 83 N CB -1.013 37.328 38.487 -0.243 0.000 0.959 83 N HN 1.587 nan 8.380 nan 0.000 0.544 84 G N -1.791 106.830 108.800 -0.298 0.000 2.225 84 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.254 84 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.254 84 G C -0.122 174.623 174.900 -0.257 0.000 0.988 84 G CA 0.477 45.410 45.100 -0.280 0.000 0.625 84 G HN 0.716 nan 8.290 nan 0.000 0.527 85 H N 0.161 119.230 119.070 -0.002 0.000 2.548 85 H HA 0.541 5.096 4.556 -0.002 0.000 0.331 85 H C 0.092 175.368 175.328 -0.086 0.000 1.093 85 H CA -0.077 56.011 56.048 0.066 0.000 1.367 85 H CB 1.617 31.499 29.762 0.201 0.000 1.455 85 H HN 0.126 nan 8.280 nan 0.000 0.519 86 V N 4.998 124.962 119.914 0.084 0.000 2.427 86 V HA 0.142 4.261 4.120 -0.002 0.000 0.286 86 V C -0.249 175.785 176.094 -0.100 0.000 1.034 86 V CA -0.612 61.574 62.300 -0.189 0.000 0.893 86 V CB 0.807 32.450 31.823 -0.301 0.000 0.982 86 V HN 0.419 nan 8.190 nan 0.000 0.452 87 F N 4.088 123.808 119.950 -0.384 0.000 2.415 87 F HA 0.621 5.146 4.527 -0.002 0.000 0.348 87 F C -0.224 175.265 175.800 -0.517 0.000 1.119 87 F CA -1.610 56.191 58.000 -0.332 0.000 1.069 87 F CB 0.788 39.666 39.000 -0.204 0.000 1.124 87 F HN 0.342 nan 8.300 nan 0.000 0.472 88 Y N 1.653 121.847 120.300 -0.178 0.000 2.429 88 Y HA 0.523 5.071 4.550 -0.002 0.000 0.342 88 Y C 0.345 176.030 175.900 -0.359 0.000 1.004 88 Y CA -1.081 56.802 58.100 -0.362 0.000 1.075 88 Y CB 1.704 39.675 38.460 -0.816 0.000 1.214 88 Y HN 0.458 nan 8.280 nan 0.000 0.455 89 R N 1.792 122.200 120.500 -0.153 0.000 2.407 89 R HA 0.606 4.945 4.340 -0.002 0.000 0.303 89 R C -1.369 174.792 176.300 -0.231 0.000 0.981 89 R CA -0.704 55.098 56.100 -0.497 0.000 0.905 89 R CB 1.028 31.012 30.300 -0.528 0.000 1.099 89 R HN 0.580 nan 8.270 nan 0.000 0.459 90 V N 6.762 126.579 119.914 -0.162 0.000 2.485 90 V HA -0.022 4.097 4.120 -0.002 0.000 0.287 90 V C 1.302 177.399 176.094 0.006 0.000 1.022 90 V CA 0.450 62.764 62.300 0.023 0.000 1.067 90 V CB 0.895 32.798 31.823 0.133 0.000 0.967 90 V HN 0.843 nan 8.190 nan 0.000 0.479 91 L N 3.454 124.700 121.223 0.038 0.000 2.296 91 L HA 0.203 4.542 4.340 -0.002 0.000 0.193 91 L C 0.797 177.716 176.870 0.081 0.000 1.123 91 L CA 0.554 55.418 54.840 0.040 0.000 0.805 91 L CB 0.123 42.199 42.059 0.029 0.000 1.004 91 L HN 0.582 nan 8.230 nan 0.000 0.478 92 Q N 0.202 120.047 119.800 0.076 0.000 2.312 92 Q HA 0.290 4.628 4.340 -0.002 0.000 0.263 92 Q C -1.040 175.012 176.000 0.087 0.000 0.995 92 Q CA -0.451 55.378 55.803 0.042 0.000 0.853 92 Q CB 1.720 30.467 28.738 0.015 0.000 1.300 92 Q HN 0.253 nan 8.270 nan 0.000 0.448 93 H N -1.080 118.026 119.070 0.060 0.000 2.797 93 H HA 0.822 5.377 4.556 -0.002 0.000 0.362 93 H C -1.031 174.341 175.328 0.073 0.000 1.183 93 H CA -1.122 54.962 56.048 0.060 0.000 1.197 93 H CB 1.777 31.562 29.762 0.037 0.000 1.835 93 H HN 0.639 nan 8.280 nan 0.000 0.567 94 S N 0.511 116.300 115.700 0.148 0.000 2.579 94 S HA 0.593 5.062 4.470 -0.002 0.000 0.272 94 S C -0.979 173.731 174.600 0.183 0.000 1.141 94 S CA -0.974 57.291 58.200 0.108 0.000 0.843 94 S CB 1.470 64.728 63.200 0.098 0.000 1.122 94 S HN 0.586 nan 8.310 nan 0.000 0.468 95 I N 1.823 122.497 120.570 0.173 0.000 2.410 95 I HA 0.520 4.688 4.170 -0.002 0.000 0.286 95 I C -1.225 175.027 176.117 0.226 0.000 1.009 95 I CA -0.868 60.546 61.300 0.189 0.000 1.111 95 I CB 1.845 39.936 38.000 0.150 0.000 1.262 95 I HN 0.449 nan 8.210 nan 0.000 0.443 96 V N 5.149 125.202 119.914 0.232 0.000 2.487 96 V HA 0.493 4.612 4.120 -0.002 0.000 0.298 96 V C 0.096 176.262 176.094 0.119 0.000 1.028 96 V CA -0.468 61.933 62.300 0.168 0.000 0.860 96 V CB 1.974 33.841 31.823 0.073 0.000 0.991 96 V HN 0.845 nan 8.190 nan 0.000 0.427 97 S N 1.817 117.535 115.700 0.030 0.000 2.704 97 S HA 0.396 4.865 4.470 -0.002 0.000 0.305 97 S C 1.031 175.552 174.600 -0.132 0.000 1.107 97 S CA 0.178 58.238 58.200 -0.233 0.000 0.993 97 S CB 1.704 64.641 63.200 -0.438 0.000 1.110 97 S HN 0.948 nan 8.310 nan 0.000 0.534 98 T N -1.679 112.766 114.554 -0.181 0.000 3.118 98 T HA 0.157 4.506 4.350 -0.002 0.000 0.260 98 T C 0.280 174.954 174.700 -0.044 0.000 1.139 98 T CA 0.188 62.230 62.100 -0.097 0.000 1.085 98 T CB -0.356 68.436 68.868 -0.127 0.000 0.934 98 T HN 0.413 nan 8.240 nan 0.000 0.518 99 K N 2.155 122.509 120.400 -0.076 0.000 2.262 99 K HA 0.267 4.585 4.320 -0.002 0.000 0.282 99 K C 0.783 177.365 176.600 -0.031 0.000 1.066 99 K CA -0.648 55.609 56.287 -0.050 0.000 0.901 99 K CB 0.862 33.293 32.500 -0.114 0.000 1.089 99 K HN 0.360 nan 8.250 nan 0.000 0.476 100 F N 2.194 122.140 119.950 -0.007 0.000 2.025 100 F HA -0.223 4.303 4.527 -0.002 0.000 0.297 100 F C 0.372 176.181 175.800 0.016 0.000 1.132 100 F CA 1.081 59.087 58.000 0.009 0.000 1.191 100 F CB -0.131 38.874 39.000 0.008 0.000 0.963 100 F HN 0.431 nan 8.300 nan 0.000 0.481 101 N N 0.154 117.965 118.700 -1.482 0.000 2.549 101 N HA 0.206 4.945 4.740 -0.002 0.000 0.281 101 N C -1.604 173.512 175.510 -0.656 0.000 1.084 101 N CA -0.308 52.235 53.050 -0.844 0.000 0.862 101 N CB 1.669 39.743 38.487 -0.688 0.000 1.333 101 N HN 0.368 nan 8.380 nan 0.000 0.523 102 S N 2.275 117.783 115.700 -0.320 0.000 2.585 102 S HA 0.441 4.910 4.470 -0.002 0.000 0.277 102 S C 0.040 174.563 174.600 -0.129 0.000 1.241 102 S CA -0.571 57.517 58.200 -0.187 0.000 1.041 102 S CB 0.626 63.762 63.200 -0.106 0.000 0.987 102 S HN 0.517 nan 8.310 nan 0.000 0.512 103 R N 3.256 123.703 120.500 -0.088 0.000 2.210 103 R HA 0.419 4.758 4.340 -0.002 0.000 0.338 103 R C -0.204 176.083 176.300 -0.022 0.000 1.062 103 R CA -0.305 55.767 56.100 -0.047 0.000 0.902 103 R CB 0.004 30.283 30.300 -0.035 0.000 1.050 103 R HN 0.693 nan 8.270 nan 0.000 0.461 104 I N 0.360 120.928 120.570 -0.003 0.000 2.437 104 I HA 0.436 4.604 4.170 -0.002 0.000 0.298 104 I C -0.176 175.951 176.117 0.017 0.000 0.984 104 I CA -1.253 60.058 61.300 0.019 0.000 1.214 104 I CB 1.521 39.554 38.000 0.055 0.000 1.365 104 I HN 0.480 nan 8.210 nan 0.000 0.469 105 D N 3.319 123.730 120.400 0.018 0.000 2.371 105 D HA 0.129 4.768 4.640 -0.002 0.000 0.242 105 D C 0.926 177.240 176.300 0.022 0.000 1.218 105 D CA -0.490 53.520 54.000 0.016 0.000 0.945 105 D CB 0.938 41.745 40.800 0.012 0.000 1.137 105 D HN 0.554 nan 8.370 nan 0.000 0.464 106 S N -0.649 115.063 115.700 0.019 0.000 2.372 106 S HA -0.273 4.196 4.470 -0.002 0.000 0.227 106 S C 1.552 176.170 174.600 0.030 0.000 1.044 106 S CA 1.651 59.864 58.200 0.022 0.000 1.050 106 S CB -0.420 62.790 63.200 0.017 0.000 0.901 106 S HN 0.696 nan 8.310 nan 0.000 0.447 107 E N 0.387 120.606 120.200 0.033 0.000 2.106 107 E HA -0.178 4.170 4.350 -0.002 0.000 0.192 107 E C 2.153 178.795 176.600 0.069 0.000 0.984 107 E CA 0.993 57.421 56.400 0.046 0.000 0.806 107 E CB -0.062 29.662 29.700 0.039 0.000 0.750 107 E HN 0.592 nan 8.360 nan 0.000 0.458 108 E N -0.264 119.966 120.200 0.052 0.000 2.072 108 E HA -0.151 4.198 4.350 -0.002 0.000 0.190 108 E C 1.927 178.559 176.600 0.054 0.000 0.982 108 E CA 0.818 57.248 56.400 0.050 0.000 0.803 108 E CB -0.070 29.656 29.700 0.043 0.000 0.755 108 E HN 0.288 nan 8.360 nan 0.000 0.453 109 A N 1.390 124.237 122.820 0.044 0.000 1.933 109 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 109 A C 1.965 179.574 177.584 0.041 0.000 1.175 109 A CA 1.408 53.465 52.037 0.033 0.000 0.628 109 A CB -0.430 18.587 19.000 0.029 0.000 0.814 109 A HN 0.227 nan 8.150 nan 0.000 0.444 110 E N -1.222 119.008 120.200 0.049 0.000 2.110 110 E HA -0.215 4.134 4.350 -0.002 0.000 0.193 110 E C 1.797 178.425 176.600 0.046 0.000 0.988 110 E CA 1.397 57.820 56.400 0.038 0.000 0.804 110 E CB -0.466 29.251 29.700 0.028 0.000 0.745 110 E HN 0.861 nan 8.360 nan 0.000 0.458 111 Y N 1.107 121.378 120.300 -0.048 0.000 2.181 111 Y HA -0.208 4.341 4.550 -0.002 0.000 0.288 111 Y C 2.283 178.129 175.900 -0.089 0.000 1.146 111 Y CA 1.366 59.428 58.100 -0.065 0.000 1.164 111 Y CB -0.103 38.317 38.460 -0.067 0.000 0.982 111 Y HN -0.075 nan 8.280 nan 0.000 0.515 112 I N 0.366 121.043 120.570 0.177 0.000 2.315 112 I HA -0.295 3.874 4.170 -0.002 0.000 0.248 112 I C 2.511 178.644 176.117 0.027 0.000 1.117 112 I CA 1.512 62.838 61.300 0.043 0.000 1.404 112 I CB -0.412 37.525 38.000 -0.105 0.000 1.071 112 I HN 0.166 nan 8.210 nan 0.000 0.419 113 K N 1.481 121.893 120.400 0.020 0.000 2.044 113 K HA -0.209 4.110 4.320 -0.002 0.000 0.210 113 K C 2.146 178.747 176.600 0.001 0.000 1.049 113 K CA 1.651 57.947 56.287 0.016 0.000 0.927 113 K CB -0.167 32.340 32.500 0.012 0.000 0.713 113 K HN 0.262 nan 8.250 nan 0.000 0.443 114 L N 0.743 121.936 121.223 -0.050 0.000 2.083 114 L HA -0.175 4.163 4.340 -0.002 0.000 0.209 114 L C 2.492 179.329 176.870 -0.057 0.000 1.083 114 L CA 0.401 55.187 54.840 -0.089 0.000 0.752 114 L CB -0.384 41.552 42.059 -0.206 0.000 0.899 114 L HN 0.285 nan 8.230 nan 0.000 0.433 115 L N 0.068 121.258 121.223 -0.054 0.000 2.072 115 L HA -0.158 4.180 4.340 -0.002 0.000 0.205 115 L C 2.417 179.343 176.870 0.093 0.000 1.079 115 L CA 1.691 56.556 54.840 0.042 0.000 0.752 115 L CB -0.501 41.610 42.059 0.086 0.000 0.906 115 L HN 0.142 nan 8.230 nan 0.000 0.436 116 E N -0.117 120.129 120.200 0.078 0.000 2.077 116 E HA -0.219 4.130 4.350 -0.002 0.000 0.193 116 E C 2.139 178.799 176.600 0.101 0.000 0.989 116 E CA 1.766 58.231 56.400 0.109 0.000 0.800 116 E CB -0.527 29.241 29.700 0.114 0.000 0.746 116 E HN 0.568 nan 8.360 nan 0.000 0.452 117 L N -0.254 121.020 121.223 0.086 0.000 2.042 117 L HA -0.226 4.113 4.340 -0.002 0.000 0.210 117 L C 2.584 179.528 176.870 0.123 0.000 1.076 117 L CA 1.759 56.652 54.840 0.088 0.000 0.749 117 L CB -0.541 41.557 42.059 0.065 0.000 0.893 117 L HN 0.324 nan 8.230 nan 0.000 0.432 118 H N 0.047 119.133 119.070 0.027 0.000 2.363 118 H HA -0.078 4.477 4.556 -0.002 0.000 0.301 118 H C 2.105 177.472 175.328 0.066 0.000 1.074 118 H CA 1.449 57.522 56.048 0.042 0.000 1.354 118 H CB -0.069 29.726 29.762 0.055 0.000 1.397 118 H HN 0.147 nan 8.280 nan 0.000 0.516 119 L N 0.061 121.242 121.223 -0.069 0.000 2.083 119 L HA -0.138 4.200 4.340 -0.002 0.000 0.209 119 L C 2.481 179.281 176.870 -0.117 0.000 1.083 119 L CA 1.405 56.113 54.840 -0.219 0.000 0.752 119 L CB -0.316 41.388 42.059 -0.593 0.000 0.899 119 L HN 0.239 nan 8.230 nan 0.000 0.433 120 K N -0.165 120.234 120.400 -0.000 0.000 2.155 120 K HA -0.150 4.169 4.320 -0.002 0.000 0.203 120 K C 1.708 178.319 176.600 0.019 0.000 1.052 120 K CA 1.333 57.668 56.287 0.081 0.000 0.948 120 K CB -0.072 32.496 32.500 0.113 0.000 0.728 120 K HN 0.172 nan 8.250 nan 0.000 0.448 121 N N -0.056 118.641 118.700 -0.005 0.000 2.392 121 N HA -0.010 4.729 4.740 -0.002 0.000 0.177 121 N C -0.412 175.074 175.510 -0.040 0.000 1.066 121 N CA 0.142 53.199 53.050 0.012 0.000 0.895 121 N CB 0.534 39.065 38.487 0.075 0.000 0.988 121 N HN -0.107 nan 8.380 nan 0.000 0.457 122 S N -0.924 114.652 115.700 -0.207 0.000 2.651 122 S HA 0.453 4.922 4.470 -0.002 0.000 0.291 122 S C -0.477 173.724 174.600 -0.664 0.000 1.141 122 S CA -0.776 57.164 58.200 -0.434 0.000 1.027 122 S CB 1.560 64.103 63.200 -1.096 0.000 1.043 122 S HN 0.350 nan 8.310 nan 0.000 0.530 123 T N 0.309 114.482 114.554 -0.636 0.000 2.786 123 T HA 0.710 5.059 4.350 -0.002 0.000 0.283 123 T C -0.980 173.311 174.700 -0.680 0.000 0.992 123 T CA -0.524 61.253 62.100 -0.538 0.000 0.954 123 T CB -0.062 68.728 68.868 -0.130 0.000 0.934 123 T HN 0.260 nan 8.240 nan 0.000 0.440 124 F N 2.096 121.870 119.950 -0.293 0.000 2.508 124 F HA 0.690 5.216 4.527 -0.002 0.000 0.325 124 F C -0.414 175.198 175.800 -0.314 0.000 1.090 124 F CA -1.288 56.582 58.000 -0.215 0.000 0.945 124 F CB 1.579 40.359 39.000 -0.366 0.000 1.156 124 F HN 0.571 nan 8.300 nan 0.000 0.463 125 Y N 2.215 122.612 120.300 0.162 0.000 2.545 125 Y HA 0.672 5.221 4.550 -0.002 0.000 0.348 125 Y C -0.606 175.382 175.900 0.146 0.000 1.002 125 Y CA -1.286 56.836 58.100 0.038 0.000 1.039 125 Y CB 2.278 40.677 38.460 -0.103 0.000 1.271 125 Y HN 0.493 nan 8.280 nan 0.000 0.467 126 F N -1.066 118.981 119.950 0.162 0.000 2.686 126 F HA 0.796 5.322 4.527 -0.002 0.000 0.311 126 F C -1.249 174.598 175.800 0.079 0.000 1.128 126 F CA -1.190 56.853 58.000 0.073 0.000 0.946 126 F CB 1.659 40.677 39.000 0.030 0.000 1.336 126 F HN 0.286 nan 8.300 nan 0.000 0.457 127 S N 0.533 116.400 115.700 0.278 0.000 2.538 127 S HA 0.461 4.930 4.470 -0.002 0.000 0.288 127 S C -0.372 174.466 174.600 0.396 0.000 1.108 127 S CA -0.466 57.895 58.200 0.268 0.000 0.971 127 S CB 0.693 64.090 63.200 0.328 0.000 1.041 127 S HN 0.639 nan 8.310 nan 0.000 0.483 128 Y N 2.595 123.209 120.300 0.524 0.000 2.421 128 Y HA -0.012 4.537 4.550 -0.002 0.000 0.292 128 Y C 2.643 178.700 175.900 0.261 0.000 1.136 128 Y CA 1.570 59.896 58.100 0.377 0.000 1.255 128 Y CB -0.221 38.446 38.460 0.344 0.000 0.991 128 Y HN 0.829 nan 8.280 nan 0.000 0.552 129 T N -4.929 109.884 114.554 0.431 0.000 2.975 129 T HA 0.137 4.486 4.350 -0.002 0.000 0.257 129 T C -0.374 174.436 174.700 0.183 0.000 1.003 129 T CA -0.090 62.224 62.100 0.357 0.000 0.932 129 T CB -0.339 68.828 68.868 0.498 0.000 1.087 129 T HN 0.075 nan 8.240 nan 0.000 0.512 130 Y N 1.685 121.963 120.300 -0.036 0.000 2.425 130 Y HA 0.563 5.112 4.550 -0.002 0.000 0.344 130 Y C -1.515 174.324 175.900 -0.102 0.000 0.969 130 Y CA -1.775 56.166 58.100 -0.265 0.000 1.052 130 Y CB 1.985 40.191 38.460 -0.424 0.000 1.215 130 Y HN -0.048 nan 8.280 nan 0.000 0.451 131 D N 6.015 125.897 120.400 -0.862 0.000 2.441 131 D HA 0.142 4.781 4.640 -0.002 0.000 0.221 131 D C 0.569 176.506 176.300 -0.605 0.000 1.156 131 D CA 0.216 53.894 54.000 -0.537 0.000 0.896 131 D CB 0.519 41.072 40.800 -0.412 0.000 1.028 131 D HN 0.837 nan 8.370 nan 0.000 0.509 132 L N 2.571 123.624 121.223 -0.283 0.000 2.456 132 L HA -0.102 4.236 4.340 -0.002 0.000 0.224 132 L C 2.222 179.012 176.870 -0.133 0.000 1.148 132 L CA 1.164 55.889 54.840 -0.190 0.000 0.825 132 L CB -0.386 41.563 42.059 -0.182 0.000 0.937 132 L HN 0.461 nan 8.230 nan 0.000 0.450 133 T N -4.492 110.018 114.554 -0.074 0.000 3.088 133 T HA 0.007 4.356 4.350 -0.002 0.000 0.259 133 T C 0.705 175.447 174.700 0.070 0.000 1.122 133 T CA 0.083 62.228 62.100 0.076 0.000 1.095 133 T CB -0.286 68.686 68.868 0.175 0.000 0.930 133 T HN 0.271 nan 8.240 nan 0.000 0.508 134 N N 1.311 119.969 118.700 -0.069 0.000 2.384 134 N HA 0.502 5.241 4.740 -0.002 0.000 0.301 134 N C -0.428 175.033 175.510 -0.082 0.000 1.133 134 N CA -0.676 52.346 53.050 -0.046 0.000 0.853 134 N CB 1.794 40.218 38.487 -0.104 0.000 1.241 134 N HN 0.326 nan 8.380 nan 0.000 0.502 135 S N 0.551 116.230 115.700 -0.036 0.000 2.589 135 S HA 0.053 4.522 4.470 -0.002 0.000 0.265 135 S C 1.080 175.639 174.600 -0.069 0.000 1.342 135 S CA -0.540 57.633 58.200 -0.045 0.000 1.005 135 S CB 0.580 63.773 63.200 -0.012 0.000 0.909 135 S HN 0.516 nan 8.310 nan 0.000 0.555 136 L N 1.047 122.233 121.223 -0.061 0.000 2.083 136 L HA -0.082 4.257 4.340 -0.002 0.000 0.209 136 L C 2.842 179.417 176.870 -0.492 0.000 1.083 136 L CA 2.111 56.892 54.840 -0.099 0.000 0.752 136 L CB -1.127 40.914 42.059 -0.031 0.000 0.899 136 L HN 0.999 nan 8.230 nan 0.000 0.433 137 Q N -1.011 118.372 119.800 -0.695 0.000 2.079 137 Q HA -0.192 4.146 4.340 -0.002 0.000 0.200 137 Q C 2.325 178.127 176.000 -0.331 0.000 0.974 137 Q CA 1.392 56.672 55.803 -0.871 0.000 0.840 137 Q CB -0.046 28.411 28.738 -0.468 0.000 0.898 137 Q HN 0.443 nan 8.270 nan 0.000 0.430 138 R N 0.058 120.454 120.500 -0.174 0.000 2.096 138 R HA -0.078 4.261 4.340 -0.002 0.000 0.235 138 R C 1.982 178.228 176.300 -0.090 0.000 1.127 138 R CA 1.276 57.323 56.100 -0.088 0.000 0.968 138 R CB -0.240 30.036 30.300 -0.041 0.000 0.861 138 R HN 0.360 nan 8.270 nan 0.000 0.440 139 N N 0.842 119.471 118.700 -0.118 0.000 2.223 139 N HA -0.176 4.562 4.740 -0.002 0.000 0.185 139 N C 1.641 177.130 175.510 -0.035 0.000 1.016 139 N CA 1.103 54.093 53.050 -0.102 0.000 0.863 139 N CB -0.069 38.337 38.487 -0.134 0.000 0.983 139 N HN 0.228 nan 8.380 nan 0.000 0.429 140 E N 1.241 121.414 120.200 -0.045 0.000 2.150 140 E HA -0.093 4.256 4.350 -0.002 0.000 0.193 140 E C 1.813 178.444 176.600 0.052 0.000 0.985 140 E CA 1.080 57.510 56.400 0.050 0.000 0.814 140 E CB 0.025 29.794 29.700 0.114 0.000 0.752 140 E HN 0.269 nan 8.360 nan 0.000 0.466 141 K N -0.628 119.781 120.400 0.015 0.000 2.116 141 K HA -0.033 4.286 4.320 -0.002 0.000 0.203 141 K C 1.847 178.452 176.600 0.008 0.000 1.052 141 K CA 0.957 57.259 56.287 0.024 0.000 0.952 141 K CB 0.081 32.589 32.500 0.013 0.000 0.729 141 K HN 0.017 nan 8.250 nan 0.000 0.446 142 V N 0.139 120.046 119.914 -0.012 0.000 2.214 142 V HA -0.152 3.967 4.120 -0.002 0.000 0.245 142 V C 1.825 177.914 176.094 -0.008 0.000 1.047 142 V CA 2.113 64.399 62.300 -0.023 0.000 0.998 142 V CB -0.913 30.880 31.823 -0.049 0.000 0.633 142 V HN 0.810 nan 8.190 nan 0.000 0.446 143 G N -0.930 107.873 108.800 0.004 0.000 3.662 143 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.251 143 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.251 143 G C -1.302 173.613 174.900 0.026 0.000 1.815 143 G CA -0.041 45.074 45.100 0.026 0.000 1.373 143 G HN 0.442 nan 8.290 nan 0.000 0.571 144 P HA 0.092 nan 4.420 nan 0.000 0.244 144 P C 1.408 178.716 177.300 0.013 0.000 1.201 144 P CA 2.938 66.044 63.100 0.010 0.000 0.772 144 P CB -0.983 30.711 31.700 -0.010 0.000 0.953 145 A N -2.565 120.268 122.820 0.022 0.000 3.976 145 A HA -0.165 4.154 4.320 -0.002 0.000 0.246 145 A C 0.916 178.491 177.584 -0.014 0.000 0.591 145 A CA 1.777 53.833 52.037 0.032 0.000 1.143 145 A CB -1.960 17.090 19.000 0.084 0.000 1.238 145 A HN 0.732 nan 8.150 nan 0.000 0.666 146 A N -2.771 120.034 122.820 -0.025 0.000 2.533 146 A HA 0.937 5.256 4.320 -0.002 0.000 0.293 146 A C 0.261 177.790 177.584 -0.091 0.000 1.228 146 A CA 0.842 52.849 52.037 -0.049 0.000 0.689 146 A CB 0.285 19.286 19.000 0.001 0.000 1.303 146 A HN 2.025 nan 8.150 nan 0.000 0.444 147 S N -1.401 114.213 115.700 -0.144 0.000 3.848 147 S HA 0.420 4.888 4.470 -0.002 0.000 0.266 147 S C 1.223 175.756 174.600 -0.112 0.000 1.050 147 S CA 0.228 58.370 58.200 -0.097 0.000 1.322 147 S CB -0.416 62.709 63.200 -0.126 0.000 1.264 147 S HN 1.645 nan 8.310 nan 0.000 0.751 148 W N 1.761 123.031 121.300 -0.049 0.000 2.364 148 W HA 0.003 4.661 4.660 -0.002 0.000 0.281 148 W C 0.931 177.485 176.519 0.057 0.000 1.219 148 W CA 1.259 58.565 57.345 -0.064 0.000 1.220 148 W CB -0.835 28.649 29.460 0.040 0.000 1.127 148 W HN 0.509 nan 8.180 nan 0.000 0.556 149 K N 0.753 120.582 120.400 -0.953 0.000 2.211 149 K HA -0.086 4.233 4.320 -0.002 0.000 0.203 149 K C 1.939 178.349 176.600 -0.317 0.000 1.050 149 K CA 2.086 57.816 56.287 -0.928 0.000 0.945 149 K CB -0.267 31.651 32.500 -0.971 0.000 0.732 149 K HN 0.226 nan 8.250 nan 0.000 0.451 150 T N -2.152 112.274 114.554 -0.213 0.000 3.092 150 T HA 0.366 4.715 4.350 -0.002 0.000 0.258 150 T C 0.546 175.216 174.700 -0.050 0.000 1.031 150 T CA -0.468 61.569 62.100 -0.106 0.000 0.925 150 T CB 0.326 69.126 68.868 -0.114 0.000 1.036 150 T HN 0.068 nan 8.240 nan 0.000 0.544 151 A N 1.738 124.544 122.820 -0.023 0.000 2.507 151 A HA 0.278 4.597 4.320 -0.002 0.000 0.235 151 A C 0.405 178.061 177.584 0.120 0.000 1.070 151 A CA -0.266 51.777 52.037 0.010 0.000 0.768 151 A CB -0.093 18.843 19.000 -0.107 0.000 1.011 151 A HN 0.403 nan 8.150 nan 0.000 0.502 152 D N 0.798 121.285 120.400 0.145 0.000 2.339 152 D HA 0.046 4.685 4.640 -0.002 0.000 0.256 152 D C 1.009 177.435 176.300 0.208 0.000 1.214 152 D CA 0.148 54.252 54.000 0.174 0.000 0.877 152 D CB 0.790 41.760 40.800 0.283 0.000 1.111 152 D HN 0.708 nan 8.370 nan 0.000 0.478 153 E N 3.490 123.752 120.200 0.104 0.000 2.268 153 E HA -0.159 4.190 4.350 -0.002 0.000 0.195 153 E C 1.446 178.006 176.600 -0.067 0.000 0.995 153 E CA 0.540 56.954 56.400 0.023 0.000 0.836 153 E CB 0.334 29.943 29.700 -0.152 0.000 0.763 153 E HN 0.437 nan 8.360 nan 0.000 0.491 154 R N -0.755 119.628 120.500 -0.196 0.000 2.105 154 R HA -0.131 4.207 4.340 -0.002 0.000 0.239 154 R C 1.087 177.173 176.300 -0.358 0.000 1.135 154 R CA 1.316 57.157 56.100 -0.432 0.000 0.967 154 R CB -0.084 29.677 30.300 -0.897 0.000 0.861 154 R HN 0.197 nan 8.270 nan 0.000 0.442 155 F N -1.672 118.429 119.950 0.251 0.000 2.682 155 F HA 0.184 4.711 4.527 -0.002 0.000 0.308 155 F C 0.206 176.251 175.800 0.408 0.000 1.093 155 F CA -0.991 57.196 58.000 0.310 0.000 1.244 155 F CB 0.288 39.433 39.000 0.242 0.000 1.052 155 F HN -0.147 nan 8.300 nan 0.000 0.573 156 F N 0.914 121.053 119.950 0.314 0.000 2.541 156 F HA 0.082 4.608 4.527 -0.002 0.000 0.347 156 F C 0.913 176.907 175.800 0.323 0.000 1.242 156 F CA -1.744 56.440 58.000 0.307 0.000 1.123 156 F CB -0.123 39.019 39.000 0.236 0.000 1.354 156 F HN 0.284 nan 8.300 nan 0.000 0.621 157 W N 6.130 127.750 121.300 0.532 0.000 2.388 157 W HA -0.182 4.477 4.660 -0.002 0.000 0.294 157 W C 1.464 178.108 176.519 0.208 0.000 1.212 157 W CA 1.783 59.337 57.345 0.347 0.000 1.271 157 W CB -0.108 29.588 29.460 0.394 0.000 1.126 157 W HN 0.512 nan 8.180 nan 0.000 0.535 158 N N -0.165 118.655 118.700 0.200 0.000 2.322 158 N HA -0.115 4.623 4.740 -0.002 0.000 0.216 158 N C 1.488 176.792 175.510 -0.343 0.000 1.144 158 N CA 0.505 53.401 53.050 -0.256 0.000 0.830 158 N CB -1.491 37.018 38.487 0.036 0.000 1.034 158 N HN 0.424 nan 8.380 nan 0.000 0.484 159 H N 0.622 119.290 119.070 -0.670 0.000 2.290 159 H HA -0.240 4.315 4.556 -0.002 0.000 0.298 159 H C 1.063 176.064 175.328 -0.546 0.000 1.087 159 H CA 1.792 57.192 56.048 -1.080 0.000 1.291 159 H CB -0.179 29.054 29.762 -0.881 0.000 1.369 159 H HN 0.328 nan 8.280 nan 0.000 0.492 160 Y N 1.393 121.415 120.300 -0.464 0.000 2.224 160 Y HA -0.160 4.388 4.550 -0.002 0.000 0.289 160 Y C 2.618 178.295 175.900 -0.372 0.000 1.146 160 Y CA 1.282 59.146 58.100 -0.393 0.000 1.182 160 Y CB -0.556 37.727 38.460 -0.296 0.000 0.983 160 Y HN 0.149 nan 8.280 nan 0.000 0.524 161 L N -0.220 120.725 121.223 -0.463 0.000 2.275 161 L HA -0.143 4.196 4.340 -0.002 0.000 0.215 161 L C 1.948 178.579 176.870 -0.400 0.000 1.119 161 L CA 1.693 56.268 54.840 -0.441 0.000 0.790 161 L CB -0.805 41.035 42.059 -0.365 0.000 0.919 161 L HN 0.394 nan 8.230 nan 0.000 0.443 162 T N -4.977 109.315 114.554 -0.436 0.000 3.163 162 T HA 0.007 4.356 4.350 -0.002 0.000 0.252 162 T C 1.325 175.776 174.700 -0.414 0.000 1.056 162 T CA -0.093 61.788 62.100 -0.364 0.000 0.947 162 T CB 0.331 69.016 68.868 -0.305 0.000 1.016 162 T HN 0.275 nan 8.240 nan 0.000 0.554 163 E N 1.997 121.909 120.200 -0.480 0.000 2.058 163 E HA -0.226 4.123 4.350 -0.002 0.000 0.194 163 E C 1.396 177.802 176.600 -0.322 0.000 0.997 163 E CA 1.885 58.028 56.400 -0.429 0.000 0.801 163 E CB -0.158 29.274 29.700 -0.447 0.000 0.746 163 E HN 0.607 nan 8.360 nan 0.000 0.450 164 D N 0.455 120.688 120.400 -0.278 0.000 2.123 164 D HA -0.196 4.443 4.640 -0.002 0.000 0.196 164 D C 2.227 178.428 176.300 -0.164 0.000 0.992 164 D CA 1.092 54.939 54.000 -0.254 0.000 0.833 164 D CB -0.174 40.510 40.800 -0.194 0.000 0.954 164 D HN 0.321 nan 8.370 nan 0.000 0.455 165 L N 0.519 121.697 121.223 -0.076 0.000 2.056 165 L HA -0.104 4.235 4.340 -0.002 0.000 0.207 165 L C 2.759 179.528 176.870 -0.168 0.000 1.078 165 L CA 0.927 55.757 54.840 -0.017 0.000 0.749 165 L CB -0.290 41.711 42.059 -0.096 0.000 0.901 165 L HN -0.103 nan 8.230 nan 0.000 0.433 166 R N -0.045 120.234 120.500 -0.369 0.000 2.081 166 R HA -0.142 4.197 4.340 -0.002 0.000 0.235 166 R C 2.149 178.394 176.300 -0.091 0.000 1.131 166 R CA 1.456 57.251 56.100 -0.508 0.000 0.960 166 R CB -0.396 29.567 30.300 -0.561 0.000 0.856 166 R HN 0.393 nan 8.270 nan 0.000 0.436 167 N N 0.297 118.941 118.700 -0.093 0.000 2.104 167 N HA -0.149 4.590 4.740 -0.002 0.000 0.190 167 N C 1.566 177.032 175.510 -0.073 0.000 1.024 167 N CA 1.357 54.368 53.050 -0.064 0.000 0.853 167 N CB -0.351 37.951 38.487 -0.309 0.000 1.008 167 N HN 0.101 nan 8.380 nan 0.000 0.424 168 F N 1.187 121.131 119.950 -0.009 0.000 2.134 168 F HA -0.007 4.519 4.527 -0.002 0.000 0.299 168 F C 2.363 178.193 175.800 0.050 0.000 1.097 168 F CA 0.842 58.845 58.000 0.004 0.000 1.264 168 F CB -0.831 38.140 39.000 -0.047 0.000 1.001 168 F HN 0.010 nan 8.300 nan 0.000 0.479 169 A N -1.018 121.927 122.820 0.208 0.000 2.067 169 A HA -0.166 4.153 4.320 -0.002 0.000 0.219 169 A C 2.002 179.707 177.584 0.201 0.000 1.158 169 A CA 1.187 53.343 52.037 0.199 0.000 0.661 169 A CB -1.009 18.100 19.000 0.181 0.000 0.801 169 A HN 0.428 nan 8.150 nan 0.000 0.452 170 H N -0.519 118.706 119.070 0.258 0.000 2.387 170 H HA -0.112 4.443 4.556 -0.002 0.000 0.299 170 H C 1.099 176.519 175.328 0.154 0.000 1.099 170 H CA 1.930 58.105 56.048 0.211 0.000 1.315 170 H CB 0.136 29.988 29.762 0.151 0.000 1.380 170 H HN 0.552 nan 8.280 nan 0.000 0.513 171 Q N -0.031 119.913 119.800 0.241 0.000 2.179 171 Q HA 0.132 4.471 4.340 -0.002 0.000 0.213 171 Q C -0.567 175.526 176.000 0.156 0.000 0.833 171 Q CA -0.002 55.905 55.803 0.174 0.000 0.990 171 Q CB 1.122 29.948 28.738 0.146 0.000 1.132 171 Q HN 0.154 nan 8.270 nan 0.000 0.493 172 D N -0.188 120.315 120.400 0.172 0.000 2.328 172 D HA 0.175 4.813 4.640 -0.002 0.000 0.243 172 D C -2.210 174.184 176.300 0.157 0.000 1.324 172 D CA -1.872 52.215 54.000 0.146 0.000 0.966 172 D CB 1.465 42.347 40.800 0.137 0.000 1.324 172 D HN -0.178 nan 8.370 nan 0.000 0.549 173 P HA -0.032 nan 4.420 nan 0.000 0.230 173 P C 1.106 178.502 177.300 0.160 0.000 1.158 173 P CA 0.393 63.585 63.100 0.153 0.000 0.769 173 P CB 0.316 32.082 31.700 0.110 0.000 0.807 174 R N -0.326 120.263 120.500 0.148 0.000 2.152 174 R HA -0.029 4.310 4.340 -0.002 0.000 0.232 174 R C 1.863 178.311 176.300 0.246 0.000 1.117 174 R CA 0.860 57.058 56.100 0.163 0.000 0.981 174 R CB -0.646 29.745 30.300 0.152 0.000 0.870 174 R HN 0.176 nan 8.270 nan 0.000 0.451 175 I N 1.520 122.238 120.570 0.247 0.000 2.756 175 I HA -0.168 4.000 4.170 -0.002 0.000 0.262 175 I C 1.084 177.393 176.117 0.319 0.000 1.225 175 I CA 1.104 62.592 61.300 0.314 0.000 1.472 175 I CB -1.059 37.041 38.000 0.167 0.000 1.094 175 I HN 0.062 nan 8.210 nan 0.000 0.454 176 D N 0.961 121.540 120.400 0.298 0.000 2.190 176 D HA -0.147 4.492 4.640 -0.002 0.000 0.200 176 D C 2.230 178.669 176.300 0.232 0.000 0.992 176 D CA 1.128 55.346 54.000 0.363 0.000 0.854 176 D CB -0.120 40.903 40.800 0.372 0.000 0.936 176 D HN 0.189 nan 8.370 nan 0.000 0.462 177 S N -0.448 115.331 115.700 0.133 0.000 2.469 177 S HA -0.083 4.386 4.470 -0.002 0.000 0.238 177 S C 1.316 175.789 174.600 -0.211 0.000 0.998 177 S CA 0.454 58.605 58.200 -0.082 0.000 0.957 177 S CB -0.187 62.870 63.200 -0.239 0.000 0.764 177 S HN 0.273 nan 8.310 nan 0.000 0.514 178 F N 0.542 120.500 119.950 0.013 0.000 2.749 178 F HA 0.400 4.926 4.527 -0.002 0.000 0.300 178 F C 0.452 176.204 175.800 -0.080 0.000 1.103 178 F CA -0.027 57.951 58.000 -0.036 0.000 1.342 178 F CB 0.203 39.173 39.000 -0.049 0.000 1.098 178 F HN 0.028 nan 8.300 nan 0.000 0.586 179 I N 1.340 121.960 120.570 0.084 0.000 2.330 179 I HA 0.242 4.411 4.170 -0.002 0.000 0.286 179 I C -0.479 175.668 176.117 0.051 0.000 1.025 179 I CA -0.673 60.624 61.300 -0.005 0.000 1.197 179 I CB 0.964 38.797 38.000 -0.278 0.000 1.358 179 I HN -0.153 nan 8.210 nan 0.000 0.467 180 Q N 9.376 129.173 119.800 -0.005 0.000 2.381 180 Q HA 0.471 4.810 4.340 -0.002 0.000 0.263 180 Q C -2.654 173.299 176.000 -0.079 0.000 1.030 180 Q CA -2.114 53.652 55.803 -0.062 0.000 0.772 180 Q CB 1.613 30.220 28.738 -0.218 0.000 1.232 180 Q HN 0.218 nan 8.270 nan 0.000 0.476 181 P HA 0.078 nan 4.420 nan 0.000 0.268 181 P C -0.999 176.318 177.300 0.029 0.000 1.204 181 P CA -0.104 62.788 63.100 -0.347 0.000 0.768 181 P CB 0.956 32.160 31.700 -0.827 0.000 0.842 182 V N 4.496 124.569 119.914 0.265 0.000 2.715 182 V HA 0.478 4.596 4.120 -0.002 0.000 0.310 182 V C 0.496 176.876 176.094 0.477 0.000 1.054 182 V CA -0.778 61.752 62.300 0.384 0.000 0.928 182 V CB 1.718 33.782 31.823 0.403 0.000 1.007 182 V HN 0.403 nan 8.190 nan 0.000 0.437 183 I N 0.882 121.703 120.570 0.420 0.000 2.707 183 I HA 0.471 4.640 4.170 -0.002 0.000 0.309 183 I C 0.814 177.227 176.117 0.493 0.000 1.001 183 I CA -0.520 61.043 61.300 0.438 0.000 1.129 183 I CB 1.144 39.288 38.000 0.240 0.000 1.308 183 I HN 0.618 nan 8.210 nan 0.000 0.466 184 Y N 3.479 123.967 120.300 0.313 0.000 2.206 184 Y HA 0.182 4.731 4.550 -0.002 0.000 0.292 184 Y C 1.887 177.780 175.900 -0.013 0.000 1.123 184 Y CA 1.278 59.423 58.100 0.074 0.000 1.142 184 Y CB -0.577 37.995 38.460 0.186 0.000 1.006 184 Y HN 0.748 nan 8.280 nan 0.000 0.518 185 G N -1.131 107.660 108.800 -0.014 0.000 2.662 185 G HA2 -0.072 3.887 3.960 -0.002 0.000 0.215 185 G HA3 -0.072 3.887 3.960 -0.002 0.000 0.215 185 G C -0.830 174.084 174.900 0.023 0.000 1.310 185 G CA 1.008 46.038 45.100 -0.116 0.000 0.849 185 G HN 0.364 nan 8.290 nan 0.000 0.568 186 Y N -0.809 119.234 120.300 -0.429 0.000 2.558 186 Y HA 0.547 5.096 4.550 -0.002 0.000 0.333 186 Y C -1.373 173.893 175.900 -1.057 0.000 1.125 186 Y CA -0.815 56.837 58.100 -0.747 0.000 1.039 186 Y CB 1.570 39.779 38.460 -0.419 0.000 1.331 186 Y HN 0.583 nan 8.280 nan 0.000 0.456 187 A N 5.454 127.099 122.820 -1.958 0.000 2.485 187 A HA 0.692 5.011 4.320 -0.002 0.000 0.285 187 A C -1.802 175.282 177.584 -0.833 0.000 1.045 187 A CA -0.656 50.707 52.037 -1.122 0.000 0.792 187 A CB 1.387 19.829 19.000 -0.930 0.000 1.307 187 A HN 0.690 nan 8.150 nan 0.000 0.406 188 K N 1.045 121.123 120.400 -0.537 0.000 2.546 188 K HA 0.748 5.067 4.320 -0.002 0.000 0.264 188 K C -0.663 175.857 176.600 -0.133 0.000 0.937 188 K CA -0.053 56.046 56.287 -0.314 0.000 0.833 188 K CB 2.020 34.264 32.500 -0.428 0.000 1.378 188 K HN 0.954 nan 8.250 nan 0.000 0.432 189 T N -1.056 113.435 114.554 -0.105 0.000 2.930 189 T HA 0.698 5.046 4.350 -0.002 0.000 0.290 189 T C -1.204 173.475 174.700 -0.036 0.000 1.052 189 T CA -0.798 61.261 62.100 -0.068 0.000 1.017 189 T CB 1.723 70.532 68.868 -0.098 0.000 1.137 189 T HN 0.350 nan 8.240 nan 0.000 0.511 190 V N 0.741 120.659 119.914 0.006 0.000 2.841 190 V HA 0.518 4.637 4.120 -0.002 0.000 0.310 190 V C -1.690 174.423 176.094 0.031 0.000 1.090 190 V CA -0.801 61.511 62.300 0.021 0.000 0.930 190 V CB 2.140 33.992 31.823 0.049 0.000 1.014 190 V HN 1.061 nan 8.190 nan 0.000 0.425 191 D N 4.407 124.817 120.400 0.017 0.000 2.255 191 D HA 0.806 5.444 4.640 -0.002 0.000 0.249 191 D C 0.121 176.439 176.300 0.031 0.000 1.078 191 D CA 0.556 54.565 54.000 0.016 0.000 0.896 191 D CB 1.901 42.698 40.800 -0.006 0.000 1.194 191 D HN 1.002 nan 8.370 nan 0.000 0.429 192 A N 1.217 124.057 122.820 0.032 0.000 2.533 192 A HA 0.781 5.100 4.320 -0.002 0.000 0.293 192 A C -1.436 176.153 177.584 0.008 0.000 1.228 192 A CA -0.570 51.487 52.037 0.033 0.000 0.689 192 A CB 1.351 20.388 19.000 0.061 0.000 1.303 192 A HN 0.300 nan 8.150 nan 0.000 0.444 193 V N 0.004 119.914 119.914 -0.007 0.000 2.760 193 V HA 0.667 4.786 4.120 -0.002 0.000 0.309 193 V C -1.562 174.490 176.094 -0.069 0.000 1.077 193 V CA -0.375 61.905 62.300 -0.033 0.000 0.910 193 V CB 1.627 33.436 31.823 -0.024 0.000 1.008 193 V HN 0.948 nan 8.190 nan 0.000 0.424 194 L N 4.634 125.784 121.223 -0.123 0.000 2.441 194 L HA 0.663 5.002 4.340 -0.002 0.000 0.270 194 L C 0.008 176.782 176.870 -0.161 0.000 0.973 194 L CA 0.081 54.804 54.840 -0.195 0.000 0.842 194 L CB 1.496 43.295 42.059 -0.433 0.000 1.239 194 L HN 0.674 nan 8.230 nan 0.000 0.406 195 N N 4.577 123.208 118.700 -0.114 0.000 2.725 195 N HA -0.259 4.480 4.740 -0.002 0.000 0.251 195 N C 0.891 176.361 175.510 -0.066 0.000 1.031 195 N CA 1.182 54.181 53.050 -0.085 0.000 0.720 195 N CB -0.860 37.569 38.487 -0.098 0.000 0.930 195 N HN 1.261 nan 8.380 nan 0.000 0.543 196 A N -2.896 119.892 122.820 -0.054 0.000 3.132 196 A HA -0.276 4.043 4.320 -0.002 0.000 0.266 196 A C 0.663 178.224 177.584 -0.038 0.000 1.216 196 A CA 1.989 54.002 52.037 -0.039 0.000 0.985 196 A CB -1.998 16.984 19.000 -0.029 0.000 1.102 196 A HN 0.470 nan 8.150 nan 0.000 0.833 197 T N 2.197 116.719 114.554 -0.052 0.000 2.728 197 T HA 0.503 4.852 4.350 -0.002 0.000 0.296 197 T C -2.522 172.156 174.700 -0.037 0.000 0.940 197 T CA -0.819 61.256 62.100 -0.041 0.000 1.013 197 T CB 1.179 70.019 68.868 -0.045 0.000 0.912 197 T HN 0.248 nan 8.240 nan 0.000 0.484 198 P HA 0.269 nan 4.420 nan 0.000 0.268 198 P C -0.398 176.898 177.300 -0.005 0.000 1.204 198 P CA -0.253 62.836 63.100 -0.018 0.000 0.768 198 P CB 0.268 31.956 31.700 -0.020 0.000 0.842 199 I N -0.525 120.049 120.570 0.006 0.000 3.042 199 I HA 0.719 4.887 4.170 -0.002 0.000 0.310 199 I C -1.289 174.849 176.117 0.036 0.000 1.117 199 I CA -1.408 59.915 61.300 0.039 0.000 1.003 199 I CB 2.527 40.584 38.000 0.095 0.000 1.228 199 I HN -0.097 nan 8.210 nan 0.000 0.443 200 V N 4.275 124.219 119.914 0.050 0.000 2.444 200 V HA 0.472 4.591 4.120 -0.002 0.000 0.294 200 V C -0.589 175.610 176.094 0.174 0.000 1.022 200 V CA -0.520 61.825 62.300 0.074 0.000 0.850 200 V CB 1.571 33.398 31.823 0.007 0.000 0.992 200 V HN 0.573 nan 8.190 nan 0.000 0.426 201 L N 4.464 125.775 121.223 0.146 0.000 2.317 201 L HA 0.986 5.325 4.340 -0.002 0.000 0.281 201 L C 0.306 177.232 176.870 0.093 0.000 1.024 201 L CA 0.281 55.203 54.840 0.136 0.000 0.810 201 L CB 1.520 43.654 42.059 0.126 0.000 1.240 201 L HN 0.741 nan 8.230 nan 0.000 0.427 202 G N 3.910 112.731 108.800 0.035 0.000 2.574 202 G HA2 0.660 4.619 3.960 -0.002 0.000 0.299 202 G HA3 0.660 4.619 3.960 -0.002 0.000 0.299 202 G C -2.290 172.531 174.900 -0.131 0.000 1.298 202 G CA -0.523 44.537 45.100 -0.067 0.000 0.952 202 G HN 0.649 nan 8.290 nan 0.000 0.477 203 L N 0.311 121.426 121.223 -0.180 0.000 2.455 203 L HA 0.787 5.126 4.340 -0.002 0.000 0.264 203 L C -1.273 175.452 176.870 -0.242 0.000 0.968 203 L CA -0.663 54.014 54.840 -0.272 0.000 0.827 203 L CB 1.920 43.702 42.059 -0.462 0.000 1.317 203 L HN 0.492 nan 8.230 nan 0.000 0.407 204 I N 3.181 123.587 120.570 -0.273 0.000 2.582 204 I HA 0.520 4.689 4.170 -0.002 0.000 0.292 204 I C -0.702 175.249 176.117 -0.276 0.000 1.066 204 I CA -0.341 60.774 61.300 -0.308 0.000 1.053 204 I CB 2.534 40.325 38.000 -0.348 0.000 1.241 204 I HN 0.508 nan 8.210 nan 0.000 0.421 205 T N 5.431 119.836 114.554 -0.248 0.000 2.824 205 T HA 0.537 4.886 4.350 -0.002 0.000 0.282 205 T C -0.704 173.843 174.700 -0.255 0.000 0.993 205 T CA -0.768 61.181 62.100 -0.252 0.000 0.967 205 T CB 1.254 69.990 68.868 -0.220 0.000 0.960 205 T HN 0.606 nan 8.240 nan 0.000 0.441 206 R N 2.213 122.518 120.500 -0.325 0.000 2.599 206 R HA 0.778 5.117 4.340 -0.002 0.000 0.295 206 R C -0.897 175.319 176.300 -0.140 0.000 0.963 206 R CA -1.128 54.798 56.100 -0.290 0.000 0.883 206 R CB 1.977 31.929 30.300 -0.581 0.000 1.171 206 R HN 0.410 nan 8.270 nan 0.000 0.450 207 R N 0.980 121.599 120.500 0.197 0.000 2.589 207 R HA 0.302 4.640 4.340 -0.002 0.000 0.293 207 R C -0.568 176.151 176.300 0.698 0.000 0.963 207 R CA -0.813 55.490 56.100 0.340 0.000 0.905 207 R CB 2.343 32.648 30.300 0.008 0.000 1.144 207 R HN 0.642 nan 8.270 nan 0.000 0.459 208 S N 2.360 118.457 115.700 0.660 0.000 2.565 208 S HA 0.361 4.830 4.470 -0.002 0.000 0.274 208 S C -0.072 174.859 174.600 0.552 0.000 1.309 208 S CA -0.642 57.868 58.200 0.517 0.000 1.043 208 S CB 0.447 63.859 63.200 0.352 0.000 0.939 208 S HN 0.336 nan 8.310 nan 0.000 0.504 209 I N 6.315 127.094 120.570 0.348 0.000 2.330 209 I HA 0.334 4.503 4.170 -0.002 0.000 0.286 209 I C -0.497 175.626 176.117 0.010 0.000 1.025 209 I CA -0.665 60.700 61.300 0.108 0.000 1.197 209 I CB -0.207 37.875 38.000 0.136 0.000 1.358 209 I HN 0.522 nan 8.210 nan 0.000 0.467 210 F N 5.288 125.234 119.950 -0.007 0.000 2.480 210 F HA 0.940 5.466 4.527 -0.002 0.000 0.329 210 F C 0.047 175.770 175.800 -0.129 0.000 1.091 210 F CA -0.783 57.185 58.000 -0.053 0.000 0.972 210 F CB 1.631 40.606 39.000 -0.041 0.000 1.150 210 F HN 0.298 nan 8.300 nan 0.000 0.467 211 R N 1.774 122.261 120.500 -0.021 0.000 4.287 211 R HA 0.463 4.802 4.340 -0.002 0.000 0.240 211 R C -1.162 175.272 176.300 0.223 0.000 1.008 211 R CA -0.735 55.447 56.100 0.138 0.000 1.248 211 R CB 0.796 31.247 30.300 0.253 0.000 1.227 211 R HN 1.193 nan 8.270 nan 0.000 0.590 212 A N 1.278 124.188 122.820 0.151 0.000 2.448 212 A HA 0.614 4.933 4.320 -0.002 0.000 0.239 212 A C 0.482 178.164 177.584 0.164 0.000 1.080 212 A CA 1.067 53.201 52.037 0.163 0.000 0.779 212 A CB 0.013 19.060 19.000 0.078 0.000 1.026 212 A HN 1.485 nan 8.150 nan 0.000 0.499 213 G N -1.042 107.803 108.800 0.075 0.000 2.379 213 G HA2 0.259 4.218 3.960 -0.002 0.000 0.609 213 G HA3 0.259 4.218 3.960 -0.002 0.000 0.609 213 G C 0.217 174.953 174.900 -0.273 0.000 1.484 213 G CA 0.349 45.413 45.100 -0.059 0.000 0.921 213 G HN 1.392 nan 8.290 nan 0.000 0.658 214 T N -0.193 114.250 114.554 -0.186 0.000 3.072 214 T HA 0.161 4.509 4.350 -0.002 0.000 0.266 214 T C 1.068 175.584 174.700 -0.307 0.000 1.127 214 T CA 2.132 64.121 62.100 -0.184 0.000 1.107 214 T CB -0.417 68.414 68.868 -0.061 0.000 0.910 214 T HN 0.881 nan 8.240 nan 0.000 0.513 215 R N -1.190 119.031 120.500 -0.466 0.000 2.764 215 R HA 0.615 4.954 4.340 -0.002 0.000 0.270 215 R C -1.663 174.145 176.300 -0.820 0.000 1.014 215 R CA -1.036 54.785 56.100 -0.465 0.000 0.904 215 R CB 1.048 31.368 30.300 0.033 0.000 1.236 215 R HN 0.151 nan 8.270 nan 0.000 0.466 216 Y N -0.306 119.756 120.300 -0.397 0.000 2.818 216 Y HA 0.796 5.345 4.550 -0.002 0.000 0.322 216 Y C -1.031 174.260 175.900 -1.015 0.000 1.323 216 Y CA -1.095 56.643 58.100 -0.604 0.000 1.090 216 Y CB 1.944 40.251 38.460 -0.255 0.000 1.328 216 Y HN 0.623 nan 8.280 nan 0.000 0.482 217 F N 0.722 120.270 119.950 -0.669 0.000 2.612 217 F HA 0.209 4.735 4.527 -0.002 0.000 0.306 217 F C 0.219 175.816 175.800 -0.338 0.000 0.981 217 F CA -1.777 55.910 58.000 -0.522 0.000 1.037 217 F CB 0.535 39.170 39.000 -0.608 0.000 1.301 217 F HN 0.470 nan 8.300 nan 0.000 0.554 218 R N 4.253 124.427 120.500 -0.543 0.000 2.122 218 R HA -0.059 4.280 4.340 -0.002 0.000 0.236 218 R C -0.046 175.751 176.300 -0.839 0.000 1.129 218 R CA 2.093 57.750 56.100 -0.739 0.000 0.925 218 R CB -0.369 29.581 30.300 -0.582 0.000 0.850 218 R HN 0.633 nan 8.270 nan 0.000 0.431 219 R N 1.083 120.828 120.500 -1.260 0.000 2.442 219 R HA 0.371 4.709 4.340 -0.002 0.000 0.291 219 R C 0.281 176.258 176.300 -0.539 0.000 1.069 219 R CA 0.754 56.358 56.100 -0.826 0.000 1.022 219 R CB 0.561 30.437 30.300 -0.706 0.000 0.976 219 R HN 0.718 nan 8.270 nan 0.000 0.443 220 G N 0.719 109.350 108.800 -0.281 0.000 2.610 220 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.304 220 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.304 220 G C -1.247 173.607 174.900 -0.078 0.000 1.309 220 G CA -0.478 44.547 45.100 -0.125 0.000 0.906 220 G HN 0.580 nan 8.290 nan 0.000 0.521 221 V N 1.264 121.182 119.914 0.007 0.000 2.547 221 V HA 0.641 4.760 4.120 -0.002 0.000 0.299 221 V C 0.617 176.883 176.094 0.286 0.000 1.040 221 V CA 0.365 62.697 62.300 0.052 0.000 0.913 221 V CB 1.294 33.078 31.823 -0.066 0.000 0.992 221 V HN 1.384 nan 8.190 nan 0.000 0.449 222 D N 4.724 125.318 120.400 0.324 0.000 2.380 222 D HA 0.121 4.759 4.640 -0.002 0.000 0.254 222 D C 0.828 177.329 176.300 0.336 0.000 1.288 222 D CA -0.034 54.242 54.000 0.461 0.000 1.008 222 D CB 0.522 41.553 40.800 0.385 0.000 1.099 222 D HN 0.505 nan 8.370 nan 0.000 0.537 223 K N -1.119 119.451 120.400 0.283 0.000 2.147 223 K HA -0.104 4.215 4.320 -0.002 0.000 0.205 223 K C 0.833 177.459 176.600 0.043 0.000 1.049 223 K CA 1.287 57.610 56.287 0.059 0.000 0.936 223 K CB -0.090 32.409 32.500 -0.003 0.000 0.722 223 K HN 0.375 nan 8.250 nan 0.000 0.446 224 D N -0.544 119.903 120.400 0.078 0.000 2.378 224 D HA 0.017 4.656 4.640 -0.002 0.000 0.227 224 D C 0.846 177.180 176.300 0.057 0.000 1.012 224 D CA 0.790 54.822 54.000 0.053 0.000 0.905 224 D CB 0.294 41.126 40.800 0.053 0.000 0.895 224 D HN 0.401 nan 8.370 nan 0.000 0.532 225 G N 0.441 109.292 108.800 0.084 0.000 2.159 225 G HA2 -0.281 3.677 3.960 -0.002 0.000 0.256 225 G HA3 -0.281 3.677 3.960 -0.002 0.000 0.256 225 G C 0.108 175.091 174.900 0.139 0.000 0.977 225 G CA -0.326 44.837 45.100 0.105 0.000 0.652 225 G HN 0.260 nan 8.290 nan 0.000 0.531 226 N N 0.174 118.930 118.700 0.093 0.000 2.499 226 N HA 0.414 5.153 4.740 -0.002 0.000 0.281 226 N C 1.469 176.990 175.510 0.019 0.000 1.098 226 N CA 0.357 53.443 53.050 0.059 0.000 0.979 226 N CB 1.861 40.378 38.487 0.050 0.000 1.121 226 N HN 0.571 nan 8.380 nan 0.000 0.466 227 V N -0.900 118.986 119.914 -0.047 0.000 3.307 227 V HA 0.341 4.460 4.120 -0.002 0.000 0.253 227 V C 1.398 177.432 176.094 -0.099 0.000 1.149 227 V CA 1.015 63.247 62.300 -0.115 0.000 1.112 227 V CB -0.523 31.171 31.823 -0.215 0.000 0.777 227 V HN 0.811 nan 8.190 nan 0.000 0.464 228 G N 1.455 110.238 108.800 -0.029 0.000 3.909 228 G HA2 -0.374 3.585 3.960 -0.002 0.000 0.218 228 G HA3 -0.374 3.585 3.960 -0.002 0.000 0.218 228 G C 0.259 175.060 174.900 -0.166 0.000 1.404 228 G CA 0.505 45.549 45.100 -0.092 0.000 0.905 228 G HN 0.888 nan 8.290 nan 0.000 0.589 229 N N 0.704 119.259 118.700 -0.241 0.000 2.420 229 N HA 0.619 5.358 4.740 -0.002 0.000 0.249 229 N C -1.242 174.359 175.510 0.151 0.000 1.033 229 N CA -0.341 52.652 53.050 -0.096 0.000 0.944 229 N CB 0.192 38.553 38.487 -0.210 0.000 1.113 229 N HN 0.508 nan 8.380 nan 0.000 0.502 230 F N 2.921 122.923 119.950 0.087 0.000 2.639 230 F HA 0.442 4.968 4.527 -0.002 0.000 0.320 230 F C -1.721 174.250 175.800 0.285 0.000 1.128 230 F CA -0.773 57.320 58.000 0.156 0.000 1.037 230 F CB 1.278 40.376 39.000 0.162 0.000 1.288 230 F HN 0.344 nan 8.300 nan 0.000 0.463 231 N N 3.805 122.346 118.700 -0.265 0.000 2.229 231 N HA 0.392 5.131 4.740 -0.002 0.000 0.298 231 N C -1.644 173.690 175.510 -0.292 0.000 1.114 231 N CA -0.815 52.178 53.050 -0.095 0.000 0.776 231 N CB 2.402 40.795 38.487 -0.157 0.000 1.501 231 N HN 0.621 nan 8.380 nan 0.000 0.474 232 E N 0.009 120.075 120.200 -0.223 0.000 2.195 232 E HA 0.529 4.878 4.350 -0.002 0.000 0.271 232 E C -0.800 175.639 176.600 -0.268 0.000 0.923 232 E CA -0.564 55.693 56.400 -0.238 0.000 0.790 232 E CB 1.678 31.249 29.700 -0.214 0.000 1.155 232 E HN 0.311 nan 8.360 nan 0.000 0.402 233 T N 2.248 116.668 114.554 -0.223 0.000 2.812 233 T HA 0.296 4.645 4.350 -0.002 0.000 0.282 233 T C -0.946 173.642 174.700 -0.187 0.000 0.990 233 T CA -0.616 61.361 62.100 -0.205 0.000 0.960 233 T CB 1.177 69.971 68.868 -0.124 0.000 0.948 233 T HN 0.411 nan 8.240 nan 0.000 0.438 234 E N 2.684 122.765 120.200 -0.198 0.000 2.241 234 E HA 0.368 4.717 4.350 -0.002 0.000 0.263 234 E C -1.131 175.405 176.600 -0.106 0.000 0.882 234 E CA -0.686 55.628 56.400 -0.144 0.000 0.769 234 E CB 1.509 31.119 29.700 -0.150 0.000 1.185 234 E HN 0.496 nan 8.360 nan 0.000 0.415 235 Q N 5.124 124.944 119.800 0.034 0.000 2.290 235 Q HA 0.462 4.801 4.340 -0.002 0.000 0.259 235 Q C -0.760 175.288 176.000 0.081 0.000 0.941 235 Q CA -0.568 55.293 55.803 0.096 0.000 0.912 235 Q CB 0.991 29.941 28.738 0.352 0.000 1.244 235 Q HN 0.614 nan 8.270 nan 0.000 0.441 236 I N 1.409 121.975 120.570 -0.006 0.000 2.646 236 I HA 0.770 4.939 4.170 -0.002 0.000 0.299 236 I C -1.685 174.513 176.117 0.134 0.000 1.036 236 I CA -1.484 59.817 61.300 0.002 0.000 1.074 236 I CB 1.780 39.560 38.000 -0.367 0.000 1.258 236 I HN 0.625 nan 8.210 nan 0.000 0.430 237 L N 5.793 127.212 121.223 0.327 0.000 2.445 237 L HA 0.694 5.033 4.340 -0.002 0.000 0.262 237 L C -2.031 175.148 176.870 0.516 0.000 0.974 237 L CA -0.501 54.545 54.840 0.343 0.000 0.822 237 L CB 2.106 44.157 42.059 -0.013 0.000 1.339 237 L HN 0.819 nan 8.230 nan 0.000 0.409 238 L N 4.639 126.038 121.223 0.293 0.000 2.362 238 L HA 1.017 5.356 4.340 -0.002 0.000 0.275 238 L C -1.103 175.819 176.870 0.086 0.000 0.998 238 L CA -0.030 54.841 54.840 0.051 0.000 0.820 238 L CB 1.626 43.402 42.059 -0.471 0.000 1.270 238 L HN 0.943 nan 8.230 nan 0.000 0.415 239 A N 3.440 126.352 122.820 0.153 0.000 2.572 239 A HA 0.734 5.053 4.320 -0.002 0.000 0.295 239 A C -1.443 176.225 177.584 0.140 0.000 1.072 239 A CA -0.689 51.434 52.037 0.143 0.000 0.691 239 A CB 1.576 20.696 19.000 0.200 0.000 1.291 239 A HN 0.631 nan 8.150 nan 0.000 0.404 240 E N 1.413 121.665 120.200 0.086 0.000 2.331 240 E HA 0.249 4.598 4.350 -0.002 0.000 0.272 240 E C -0.045 176.595 176.600 0.066 0.000 1.036 240 E CA -0.430 56.026 56.400 0.093 0.000 0.864 240 E CB 0.625 30.353 29.700 0.047 0.000 1.035 240 E HN 0.508 nan 8.360 nan 0.000 0.408 241 N N 3.742 122.492 118.700 0.083 0.000 2.475 241 N HA 0.031 4.770 4.740 -0.002 0.000 0.267 241 N C -1.856 173.668 175.510 0.024 0.000 1.169 241 N CA -1.497 51.553 53.050 0.000 0.000 0.947 241 N CB 0.855 39.374 38.487 0.053 0.000 1.061 241 N HN 0.156 nan 8.380 nan 0.000 0.466 242 P HA -0.153 nan 4.420 nan 0.000 0.212 242 P C -0.612 176.695 177.300 0.011 0.000 1.178 242 P CA 1.615 64.716 63.100 0.002 0.000 0.915 242 P CB 0.090 31.785 31.700 -0.009 0.000 0.788 243 E N -1.012 119.196 120.200 0.013 0.000 2.197 243 E HA 0.478 4.827 4.350 -0.002 0.000 0.281 243 E C 0.590 177.209 176.600 0.032 0.000 0.995 243 E CA -0.029 56.382 56.400 0.018 0.000 0.808 243 E CB 1.128 30.836 29.700 0.013 0.000 1.093 243 E HN 0.158 nan 8.360 nan 0.000 0.394 244 S N 2.942 118.662 115.700 0.034 0.000 1.317 244 S HA -0.324 4.145 4.470 -0.002 0.000 0.251 244 S C 0.767 175.396 174.600 0.049 0.000 0.657 244 S CA 0.575 58.803 58.200 0.047 0.000 1.072 244 S CB -2.057 61.189 63.200 0.076 0.000 1.133 244 S HN 0.821 nan 8.310 nan 0.000 0.492 245 E N 1.050 121.282 120.200 0.053 0.000 3.065 245 E HA -0.230 4.118 4.350 -0.002 0.000 0.277 245 E C -0.300 176.337 176.600 0.061 0.000 1.008 245 E CA 1.303 57.732 56.400 0.048 0.000 0.864 245 E CB -1.559 28.156 29.700 0.024 0.000 1.439 245 E HN 0.825 nan 8.360 nan 0.000 0.445 246 K N 0.381 120.842 120.400 0.101 0.000 2.382 246 K HA 0.202 4.521 4.320 -0.002 0.000 0.275 246 K C 0.041 176.738 176.600 0.161 0.000 1.009 246 K CA -0.033 56.307 56.287 0.089 0.000 0.970 246 K CB 0.442 33.001 32.500 0.099 0.000 0.934 246 K HN -0.028 nan 8.250 nan 0.000 0.479 247 I N 3.716 124.307 120.570 0.036 0.000 2.304 247 I HA 0.125 4.294 4.170 -0.002 0.000 0.291 247 I C -0.229 175.878 176.117 -0.017 0.000 1.018 247 I CA -0.223 61.109 61.300 0.054 0.000 1.260 247 I CB 0.619 38.603 38.000 -0.026 0.000 1.390 247 I HN 0.431 nan 8.210 nan 0.000 0.475 248 H N 4.342 123.402 119.070 -0.017 0.000 2.472 248 H HA 0.756 5.311 4.556 -0.002 0.000 0.338 248 H C -0.716 174.496 175.328 -0.194 0.000 1.133 248 H CA -0.641 55.343 56.048 -0.108 0.000 1.216 248 H CB 1.606 31.353 29.762 -0.025 0.000 1.497 248 H HN 0.279 nan 8.280 nan 0.000 0.500 249 V N 4.209 123.976 119.914 -0.244 0.000 2.588 249 V HA 0.403 4.522 4.120 -0.002 0.000 0.304 249 V C -0.939 175.014 176.094 -0.234 0.000 1.042 249 V CA -0.775 61.501 62.300 -0.040 0.000 0.877 249 V CB 1.053 32.973 31.823 0.162 0.000 0.996 249 V HN 0.556 nan 8.190 nan 0.000 0.425 250 F N 1.796 121.882 119.950 0.227 0.000 2.563 250 F HA 0.775 5.301 4.527 -0.002 0.000 0.316 250 F C 0.266 176.233 175.800 0.278 0.000 1.076 250 F CA -0.548 57.547 58.000 0.159 0.000 0.921 250 F CB 2.384 41.281 39.000 -0.172 0.000 1.209 250 F HN 0.439 nan 8.300 nan 0.000 0.462 251 S N 2.498 118.559 115.700 0.602 0.000 2.540 251 S HA 0.745 5.214 4.470 -0.002 0.000 0.275 251 S C -2.048 172.840 174.600 0.479 0.000 1.123 251 S CA -0.418 58.041 58.200 0.432 0.000 0.907 251 S CB 1.085 64.484 63.200 0.330 0.000 1.081 251 S HN 0.502 nan 8.310 nan 0.000 0.476 252 F N 5.275 125.337 119.950 0.186 0.000 2.579 252 F HA 0.730 5.256 4.527 -0.002 0.000 0.325 252 F C -1.818 174.067 175.800 0.142 0.000 1.162 252 F CA -0.989 57.123 58.000 0.187 0.000 0.946 252 F CB 1.263 40.342 39.000 0.132 0.000 1.211 252 F HN 0.551 nan 8.300 nan 0.000 0.447 253 L N 5.806 126.735 121.223 -0.490 0.000 2.325 253 L HA 0.639 4.978 4.340 -0.002 0.000 0.278 253 L C -1.098 175.381 176.870 -0.651 0.000 1.023 253 L CA -0.082 54.508 54.840 -0.416 0.000 0.811 253 L CB 1.893 43.889 42.059 -0.105 0.000 1.249 253 L HN 0.768 nan 8.230 nan 0.000 0.431 254 Q N 1.372 120.905 119.800 -0.444 0.000 2.495 254 Q HA 0.724 5.062 4.340 -0.002 0.000 0.287 254 Q C -1.222 174.610 176.000 -0.281 0.000 1.078 254 Q CA -0.901 54.700 55.803 -0.336 0.000 0.793 254 Q CB 2.524 31.132 28.738 -0.216 0.000 1.459 254 Q HN 0.741 nan 8.270 nan 0.000 0.422 255 T N -1.515 112.878 114.554 -0.269 0.000 2.916 255 T HA 0.800 5.149 4.350 -0.002 0.000 0.292 255 T C -0.912 173.604 174.700 -0.306 0.000 1.055 255 T CA -0.967 60.910 62.100 -0.371 0.000 1.009 255 T CB 2.210 70.857 68.868 -0.369 0.000 1.118 255 T HN 0.609 nan 8.240 nan 0.000 0.497 256 R N 0.191 120.410 120.500 -0.467 0.000 2.515 256 R HA 0.641 4.980 4.340 -0.002 0.000 0.278 256 R C -0.887 175.210 176.300 -0.339 0.000 1.107 256 R CA -0.388 55.552 56.100 -0.267 0.000 0.945 256 R CB 1.500 31.697 30.300 -0.172 0.000 1.219 256 R HN 1.214 nan 8.270 nan 0.000 0.434 257 G N 0.929 109.657 108.800 -0.121 0.000 2.608 257 G HA2 0.302 4.260 3.960 -0.002 0.000 0.291 257 G HA3 0.302 4.260 3.960 -0.002 0.000 0.291 257 G C -1.297 173.610 174.900 0.011 0.000 1.425 257 G CA -0.772 44.324 45.100 -0.007 0.000 0.787 257 G HN 0.508 nan 8.290 nan 0.000 0.484 258 S N -0.864 114.822 115.700 -0.022 0.000 2.563 258 S HA 0.226 4.695 4.470 -0.002 0.000 0.284 258 S C 0.787 175.287 174.600 -0.166 0.000 1.331 258 S CA -0.446 57.686 58.200 -0.113 0.000 1.047 258 S CB 1.257 64.352 63.200 -0.176 0.000 0.859 258 S HN 0.680 nan 8.310 nan 0.000 0.514 259 V N 5.270 125.039 119.914 -0.241 0.000 2.493 259 V HA 0.093 4.212 4.120 -0.002 0.000 0.292 259 V C -1.585 174.277 176.094 -0.387 0.000 1.016 259 V CA -0.930 61.084 62.300 -0.477 0.000 1.097 259 V CB -0.066 31.464 31.823 -0.487 0.000 0.947 259 V HN 0.703 nan 8.190 nan 0.000 0.479 260 P HA 0.238 nan 4.420 nan 0.000 0.230 260 P C -0.543 176.700 177.300 -0.094 0.000 1.791 260 P CA -0.123 62.795 63.100 -0.303 0.000 1.020 260 P CB 0.008 31.478 31.700 -0.384 0.000 1.977 261 I N 1.844 122.369 120.570 -0.075 0.000 2.460 261 I HA 0.208 4.377 4.170 -0.002 0.000 0.298 261 I C 0.534 176.704 176.117 0.088 0.000 0.989 261 I CA -2.104 59.215 61.300 0.033 0.000 1.173 261 I CB 0.519 38.528 38.000 0.015 0.000 1.338 261 I HN 0.130 nan 8.210 nan 0.000 0.456 262 Y N 6.389 126.678 120.300 -0.019 0.000 2.881 262 Y HA -0.149 4.400 4.550 -0.002 0.000 0.335 262 Y C 1.475 177.388 175.900 0.021 0.000 1.263 262 Y CA -0.134 57.938 58.100 -0.046 0.000 1.572 262 Y CB 0.363 38.752 38.460 -0.119 0.000 1.237 262 Y HN 0.670 nan 8.280 nan 0.000 0.568 263 W N 4.578 125.624 121.300 -0.423 0.000 2.436 263 W HA -0.128 4.530 4.660 -0.002 0.000 0.261 263 W C 0.207 176.607 176.519 -0.197 0.000 1.222 263 W CA 0.298 57.522 57.345 -0.200 0.000 1.191 263 W CB -0.926 28.507 29.460 -0.046 0.000 1.132 263 W HN 0.767 nan 8.180 nan 0.000 0.596 264 A N 2.494 124.838 122.820 -0.793 0.000 2.594 264 A HA 0.096 4.415 4.320 -0.002 0.000 0.291 264 A C -0.319 177.219 177.584 -0.076 0.000 1.374 264 A CA 0.677 52.454 52.037 -0.433 0.000 1.025 264 A CB -0.684 18.064 19.000 -0.418 0.000 1.072 264 A HN 0.490 nan 8.150 nan 0.000 0.555 265 E N 1.671 121.881 120.200 0.017 0.000 2.241 265 E HA 0.347 4.696 4.350 -0.002 0.000 0.263 265 E C -1.133 175.458 176.600 -0.015 0.000 0.882 265 E CA -0.813 55.620 56.400 0.055 0.000 0.769 265 E CB 1.513 31.344 29.700 0.219 0.000 1.185 265 E HN 0.550 nan 8.360 nan 0.000 0.415 266 I N 2.731 123.302 120.570 0.002 0.000 2.501 266 I HA -0.016 4.153 4.170 -0.002 0.000 0.305 266 I C 0.926 177.041 176.117 -0.003 0.000 1.197 266 I CA 0.370 61.666 61.300 -0.008 0.000 1.793 266 I CB -0.993 37.011 38.000 0.007 0.000 1.521 266 I HN 0.422 nan 8.210 nan 0.000 0.843 267 N N 3.542 122.222 118.700 -0.033 0.000 2.542 267 N HA 0.027 4.766 4.740 -0.002 0.000 0.234 267 N C 0.458 175.956 175.510 -0.019 0.000 1.257 267 N CA -0.036 53.001 53.050 -0.021 0.000 0.883 267 N CB -0.027 38.420 38.487 -0.067 0.000 1.197 267 N HN 0.555 nan 8.380 nan 0.000 0.488 268 N N 0.045 118.739 118.700 -0.010 0.000 2.381 268 N HA 0.044 4.783 4.740 -0.002 0.000 0.254 268 N C 0.912 176.417 175.510 -0.008 0.000 1.264 268 N CA -0.321 52.725 53.050 -0.007 0.000 0.942 268 N CB 1.105 39.595 38.487 0.004 0.000 1.190 268 N HN 0.186 nan 8.380 nan 0.000 0.495 269 L N 1.292 122.509 121.223 -0.009 0.000 1.984 269 L HA 0.088 4.427 4.340 -0.002 0.000 0.207 269 L C 0.279 177.125 176.870 -0.039 0.000 1.111 269 L CA 1.332 56.158 54.840 -0.024 0.000 0.770 269 L CB -0.265 41.784 42.059 -0.017 0.000 0.900 269 L HN 0.357 nan 8.230 nan 0.000 0.441 270 K N -1.111 119.284 120.400 -0.008 0.000 2.205 270 K HA 0.195 4.514 4.320 -0.002 0.000 0.279 270 K C -0.768 175.899 176.600 0.111 0.000 1.027 270 K CA 0.199 56.508 56.287 0.036 0.000 0.932 270 K CB 0.998 33.567 32.500 0.115 0.000 1.032 270 K HN 0.218 nan 8.250 nan 0.000 0.466 271 Y N 1.719 122.021 120.300 0.003 0.000 2.518 271 Y HA 0.279 4.828 4.550 -0.002 0.000 0.150 271 Y C -0.370 175.533 175.900 0.004 0.000 1.318 271 Y CA -0.078 58.025 58.100 0.004 0.000 1.605 271 Y CB 0.420 38.882 38.460 0.003 0.000 1.099 271 Y HN 0.414 nan 8.280 nan 0.000 0.380 272 K N 3.001 123.605 120.400 0.340 0.000 2.315 272 K HA 0.306 4.624 4.320 -0.002 0.000 0.291 272 K C -2.840 173.823 176.600 0.104 0.000 1.074 272 K CA -1.464 54.924 56.287 0.169 0.000 0.936 272 K CB 0.164 32.790 32.500 0.210 0.000 1.049 272 K HN 0.090 nan 8.250 nan 0.000 0.471 273 P HA 0.165 nan 4.420 nan 0.000 0.293 273 P C -1.553 175.770 177.300 0.038 0.000 1.300 273 P CA -0.658 62.469 63.100 0.046 0.000 0.792 273 P CB 0.883 32.604 31.700 0.035 0.000 0.925 274 N N 2.973 121.694 118.700 0.035 0.000 2.399 274 N HA 0.297 5.036 4.740 -0.002 0.000 0.295 274 N C -0.153 175.374 175.510 0.027 0.000 1.048 274 N CA -0.830 52.237 53.050 0.028 0.000 0.886 274 N CB 0.651 39.152 38.487 0.023 0.000 1.185 274 N HN 0.180 nan 8.380 nan 0.000 0.487 275 L N 1.125 122.366 121.223 0.030 0.000 2.461 275 L HA 0.183 4.522 4.340 -0.002 0.000 0.272 275 L C 0.083 176.968 176.870 0.025 0.000 1.197 275 L CA -0.455 54.404 54.840 0.032 0.000 0.836 275 L CB 0.796 42.880 42.059 0.041 0.000 1.105 275 L HN 0.585 nan 8.230 nan 0.000 0.477 276 V N 2.491 122.419 119.914 0.024 0.000 2.364 276 V HA 0.333 4.451 4.120 -0.002 0.000 0.272 276 V C -0.061 176.050 176.094 0.029 0.000 1.036 276 V CA -0.784 61.527 62.300 0.019 0.000 0.880 276 V CB 0.896 32.726 31.823 0.011 0.000 0.991 276 V HN 0.539 nan 8.190 nan 0.000 0.460 277 L N 5.652 126.889 121.223 0.024 0.000 2.504 277 L HA 0.766 5.105 4.340 -0.002 0.000 0.249 277 L C 1.101 177.975 176.870 0.007 0.000 1.120 277 L CA 0.139 54.996 54.840 0.028 0.000 0.997 277 L CB 0.057 42.136 42.059 0.033 0.000 1.349 277 L HN 0.714 nan 8.230 nan 0.000 0.439 278 G N 0.155 108.952 108.800 -0.005 0.000 2.522 278 G HA2 -0.039 3.920 3.960 -0.002 0.000 0.223 278 G HA3 -0.039 3.920 3.960 -0.002 0.000 0.223 278 G C 0.682 175.559 174.900 -0.038 0.000 1.565 278 G CA -0.089 44.997 45.100 -0.024 0.000 1.053 278 G HN 0.597 nan 8.290 nan 0.000 0.547 279 E N 0.175 120.341 120.200 -0.056 0.000 2.338 279 E HA -0.109 4.240 4.350 -0.002 0.000 0.197 279 E C 2.059 178.598 176.600 -0.102 0.000 1.007 279 E CA 0.748 57.108 56.400 -0.066 0.000 0.849 279 E CB -0.169 29.489 29.700 -0.068 0.000 0.774 279 E HN 0.476 nan 8.360 nan 0.000 0.506 280 N N 0.079 118.690 118.700 -0.148 0.000 2.135 280 N HA -0.093 4.646 4.740 -0.002 0.000 0.186 280 N C 1.927 177.335 175.510 -0.170 0.000 1.027 280 N CA 1.234 54.115 53.050 -0.283 0.000 0.849 280 N CB -0.214 37.986 38.487 -0.479 0.000 1.002 280 N HN 0.014 nan 8.380 nan 0.000 0.425 281 S N 1.531 117.205 115.700 -0.043 0.000 2.383 281 S HA 0.054 4.523 4.470 -0.002 0.000 0.227 281 S C 2.217 176.843 174.600 0.044 0.000 1.026 281 S CA 0.516 58.740 58.200 0.041 0.000 0.981 281 S CB -0.185 63.057 63.200 0.070 0.000 0.818 281 S HN 0.213 nan 8.310 nan 0.000 0.472 282 L N 1.090 122.323 121.223 0.018 0.000 2.017 282 L HA -0.164 4.175 4.340 -0.002 0.000 0.208 282 L C 2.450 179.334 176.870 0.024 0.000 1.073 282 L CA 1.679 56.537 54.840 0.029 0.000 0.745 282 L CB -0.601 41.463 42.059 0.009 0.000 0.894 282 L HN 0.296 nan 8.230 nan 0.000 0.432 283 D N -0.149 120.236 120.400 -0.024 0.000 2.097 283 D HA -0.178 4.460 4.640 -0.002 0.000 0.195 283 D C 2.085 178.375 176.300 -0.017 0.000 0.989 283 D CA 1.443 55.420 54.000 -0.038 0.000 0.827 283 D CB 0.170 40.910 40.800 -0.100 0.000 0.966 283 D HN 0.255 nan 8.370 nan 0.000 0.456 284 A N -0.738 122.064 122.820 -0.030 0.000 1.898 284 A HA -0.051 4.268 4.320 -0.002 0.000 0.214 284 A C 2.358 179.994 177.584 0.088 0.000 1.183 284 A CA 1.828 53.875 52.037 0.017 0.000 0.622 284 A CB -0.911 18.111 19.000 0.036 0.000 0.824 284 A HN 0.295 nan 8.150 nan 0.000 0.444 285 T N 0.093 114.718 114.554 0.119 0.000 2.720 285 T HA -0.161 4.188 4.350 -0.002 0.000 0.268 285 T C 2.067 176.929 174.700 0.270 0.000 1.037 285 T CA 1.892 64.121 62.100 0.215 0.000 1.144 285 T CB -0.191 68.839 68.868 0.270 0.000 0.864 285 T HN 0.491 nan 8.240 nan 0.000 0.444 286 K N 1.636 122.147 120.400 0.185 0.000 2.032 286 K HA -0.077 4.242 4.320 -0.002 0.000 0.209 286 K C 2.164 178.841 176.600 0.129 0.000 1.048 286 K CA 1.671 58.055 56.287 0.161 0.000 0.927 286 K CB -0.325 32.226 32.500 0.085 0.000 0.712 286 K HN 0.169 nan 8.250 nan 0.000 0.441 287 K N -0.908 119.543 120.400 0.085 0.000 2.097 287 K HA -0.174 4.145 4.320 -0.002 0.000 0.205 287 K C 2.184 178.808 176.600 0.039 0.000 1.050 287 K CA 1.645 57.963 56.287 0.051 0.000 0.938 287 K CB -0.389 32.135 32.500 0.038 0.000 0.718 287 K HN 0.405 nan 8.250 nan 0.000 0.442 288 H N -0.951 118.088 119.070 -0.052 0.000 2.326 288 H HA -0.068 4.487 4.556 -0.002 0.000 0.301 288 H C 1.347 176.549 175.328 -0.211 0.000 1.081 288 H CA 2.168 58.109 56.048 -0.177 0.000 1.334 288 H CB -0.225 29.359 29.762 -0.297 0.000 1.385 288 H HN 0.183 nan 8.280 nan 0.000 0.504 289 F N 0.780 120.745 119.950 0.025 0.000 2.234 289 F HA -0.099 4.427 4.527 -0.002 0.000 0.299 289 F C 2.118 177.893 175.800 -0.042 0.000 1.087 289 F CA 1.209 59.198 58.000 -0.019 0.000 1.340 289 F CB -0.326 38.719 39.000 0.075 0.000 1.031 289 F HN 0.244 nan 8.300 nan 0.000 0.500 290 D N -0.189 120.270 120.400 0.099 0.000 2.104 290 D HA -0.224 4.415 4.640 -0.002 0.000 0.194 290 D C 2.265 178.553 176.300 -0.019 0.000 0.994 290 D CA 1.215 55.239 54.000 0.040 0.000 0.830 290 D CB -0.563 40.252 40.800 0.025 0.000 0.959 290 D HN 0.335 nan 8.370 nan 0.000 0.452 291 Q N 0.141 119.889 119.800 -0.087 0.000 2.084 291 Q HA -0.186 4.153 4.340 -0.002 0.000 0.202 291 Q C 1.868 177.778 176.000 -0.150 0.000 0.978 291 Q CA 1.116 56.837 55.803 -0.137 0.000 0.844 291 Q CB 0.109 28.740 28.738 -0.178 0.000 0.898 291 Q HN 0.185 nan 8.270 nan 0.000 0.426 292 Q N 0.708 120.410 119.800 -0.164 0.000 2.124 292 Q HA -0.123 4.216 4.340 -0.002 0.000 0.202 292 Q C 1.936 178.037 176.000 0.169 0.000 0.977 292 Q CA 1.317 57.145 55.803 0.041 0.000 0.850 292 Q CB -0.128 28.677 28.738 0.112 0.000 0.901 292 Q HN 0.419 nan 8.270 nan 0.000 0.429 293 K N 0.729 121.211 120.400 0.137 0.000 2.026 293 K HA -0.176 4.142 4.320 -0.002 0.000 0.208 293 K C 2.075 178.706 176.600 0.051 0.000 1.048 293 K CA 1.225 57.586 56.287 0.123 0.000 0.929 293 K CB -0.104 32.451 32.500 0.092 0.000 0.713 293 K HN 0.262 nan 8.250 nan 0.000 0.439 294 E N 1.161 121.355 120.200 -0.010 0.000 2.118 294 E HA -0.190 4.158 4.350 -0.002 0.000 0.195 294 E C 1.942 178.481 176.600 -0.102 0.000 0.992 294 E CA 0.893 57.267 56.400 -0.045 0.000 0.804 294 E CB 0.037 29.701 29.700 -0.059 0.000 0.741 294 E HN 0.218 nan 8.360 nan 0.000 0.458 295 L N -0.874 120.209 121.223 -0.234 0.000 2.072 295 L HA -0.118 4.221 4.340 -0.002 0.000 0.205 295 L C 1.443 178.041 176.870 -0.453 0.000 1.079 295 L CA 0.988 55.521 54.840 -0.511 0.000 0.752 295 L CB -0.041 41.391 42.059 -1.045 0.000 0.906 295 L HN 0.236 nan 8.230 nan 0.000 0.436 296 Y N -1.587 118.793 120.300 0.133 0.000 2.448 296 Y HA 0.429 4.978 4.550 -0.002 0.000 0.257 296 Y C 1.235 177.255 175.900 0.200 0.000 1.089 296 Y CA 0.111 58.316 58.100 0.174 0.000 1.245 296 Y CB 0.486 39.064 38.460 0.197 0.000 1.282 296 Y HN 0.147 nan 8.280 nan 0.000 0.529 297 G N 0.607 109.577 108.800 0.284 0.000 2.481 297 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.230 297 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.230 297 G C -1.060 173.975 174.900 0.224 0.000 1.210 297 G CA -0.483 44.761 45.100 0.239 0.000 0.936 297 G HN 0.114 nan 8.290 nan 0.000 0.583 298 D N 1.723 122.257 120.400 0.223 0.000 2.455 298 D HA 0.402 5.040 4.640 -0.002 0.000 0.241 298 D C 0.496 176.904 176.300 0.181 0.000 1.138 298 D CA 0.552 54.648 54.000 0.159 0.000 0.877 298 D CB 0.299 41.218 40.800 0.198 0.000 1.187 298 D HN 0.488 nan 8.370 nan 0.000 0.451 299 N N 2.020 120.757 118.700 0.062 0.000 2.392 299 N HA 0.184 4.922 4.740 -0.002 0.000 0.283 299 N C -1.134 174.368 175.510 -0.013 0.000 1.003 299 N CA -0.482 52.649 53.050 0.136 0.000 0.892 299 N CB 1.079 39.701 38.487 0.225 0.000 1.193 299 N HN 0.342 nan 8.380 nan 0.000 0.487 300 Y N 2.419 122.829 120.300 0.183 0.000 2.434 300 Y HA 0.324 4.873 4.550 -0.002 0.000 0.341 300 Y C 0.206 176.154 175.900 0.079 0.000 0.965 300 Y CA -0.648 57.526 58.100 0.123 0.000 1.205 300 Y CB 0.896 39.381 38.460 0.041 0.000 1.121 300 Y HN 0.231 nan 8.280 nan 0.000 0.507 301 L N 5.059 126.369 121.223 0.146 0.000 2.260 301 L HA 0.436 4.775 4.340 -0.002 0.000 0.289 301 L C -0.569 176.294 176.870 -0.011 0.000 1.057 301 L CA -0.810 54.107 54.840 0.129 0.000 0.811 301 L CB 0.634 42.766 42.059 0.122 0.000 1.184 301 L HN 0.316 nan 8.230 nan 0.000 0.429 302 V N 3.165 123.095 119.914 0.027 0.000 2.347 302 V HA 0.294 4.412 4.120 -0.002 0.000 0.280 302 V C -0.192 175.908 176.094 0.010 0.000 1.021 302 V CA -0.506 61.763 62.300 -0.051 0.000 0.847 302 V CB 1.598 33.382 31.823 -0.064 0.000 0.990 302 V HN 0.671 nan 8.190 nan 0.000 0.444 303 N N 5.025 123.698 118.700 -0.046 0.000 2.479 303 N HA 0.443 5.182 4.740 -0.002 0.000 0.261 303 N C -0.887 174.686 175.510 0.104 0.000 0.979 303 N CA -0.422 52.682 53.050 0.090 0.000 0.930 303 N CB 1.113 39.670 38.487 0.117 0.000 1.172 303 N HN 0.591 nan 8.380 nan 0.000 0.499 304 L N 3.659 124.952 121.223 0.117 0.000 2.319 304 L HA 0.233 4.571 4.340 -0.002 0.000 0.280 304 L C 1.467 178.380 176.870 0.071 0.000 1.099 304 L CA -0.609 54.287 54.840 0.094 0.000 0.828 304 L CB 0.902 43.036 42.059 0.124 0.000 1.150 304 L HN 0.338 nan 8.230 nan 0.000 0.442 305 V N 2.248 122.162 119.914 -0.000 0.000 2.238 305 V HA -0.171 3.947 4.120 -0.002 0.000 0.235 305 V C 0.636 176.719 176.094 -0.019 0.000 1.037 305 V CA 0.806 63.122 62.300 0.026 0.000 0.991 305 V CB -0.695 31.136 31.823 0.012 0.000 0.638 305 V HN 1.049 nan 8.190 nan 0.000 0.457 306 N N 0.834 119.426 118.700 -0.181 0.000 2.726 306 N HA -0.153 4.585 4.740 -0.002 0.000 0.253 306 N C -0.275 175.271 175.510 0.061 0.000 1.059 306 N CA 1.138 54.065 53.050 -0.206 0.000 0.701 306 N CB -0.995 37.413 38.487 -0.132 0.000 0.899 306 N HN 0.879 nan 8.380 nan 0.000 0.548 307 Q N -0.299 119.566 119.800 0.108 0.000 2.462 307 Q HA 0.567 4.906 4.340 -0.002 0.000 0.285 307 Q C -0.968 175.131 176.000 0.164 0.000 1.035 307 Q CA -0.658 55.245 55.803 0.165 0.000 0.799 307 Q CB 1.556 30.398 28.738 0.173 0.000 1.452 307 Q HN 0.069 nan 8.270 nan 0.000 0.404 308 K N 0.065 120.554 120.400 0.148 0.000 2.761 308 K HA 0.373 4.692 4.320 -0.002 0.000 0.196 308 K C -0.127 176.534 176.600 0.102 0.000 1.134 308 K CA 0.713 57.065 56.287 0.109 0.000 1.082 308 K CB 0.261 32.808 32.500 0.078 0.000 0.768 308 K HN 0.843 nan 8.250 nan 0.000 0.475 309 G N 0.259 109.132 108.800 0.121 0.000 2.173 309 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.142 309 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.142 309 G C -0.957 174.023 174.900 0.134 0.000 1.019 309 G CA -0.331 44.833 45.100 0.106 0.000 0.699 309 G HN 0.378 nan 8.290 nan 0.000 0.495 310 H N 0.724 119.831 119.070 0.061 0.000 2.700 310 H HA 0.571 5.126 4.556 -0.002 0.000 0.269 310 H C -0.819 174.548 175.328 0.065 0.000 1.222 310 H CA -0.225 55.859 56.048 0.060 0.000 1.254 310 H CB 1.062 30.861 29.762 0.061 0.000 1.413 310 H HN 0.251 nan 8.280 nan 0.000 0.507 311 E N 4.594 124.725 120.200 -0.114 0.000 2.134 311 E HA 0.215 4.564 4.350 -0.002 0.000 0.278 311 E C -0.897 175.657 176.600 -0.076 0.000 0.959 311 E CA -0.687 55.690 56.400 -0.038 0.000 0.783 311 E CB 0.634 30.331 29.700 -0.004 0.000 1.095 311 E HN 0.468 nan 8.360 nan 0.000 0.399 312 L N 7.362 128.585 121.223 -0.001 0.000 2.289 312 L HA 0.308 4.647 4.340 -0.002 0.000 0.285 312 L C -1.413 175.478 176.870 0.034 0.000 1.049 312 L CA -1.989 52.859 54.840 0.014 0.000 0.804 312 L CB 1.080 43.179 42.059 0.067 0.000 1.195 312 L HN 0.587 nan 8.230 nan 0.000 0.428 313 P HA -0.205 nan 4.420 nan 0.000 0.214 313 P C 1.704 179.035 177.300 0.053 0.000 1.169 313 P CA 1.243 64.365 63.100 0.036 0.000 0.908 313 P CB 0.426 32.147 31.700 0.035 0.000 0.791 314 V N -0.294 119.656 119.914 0.061 0.000 2.407 314 V HA -0.233 3.886 4.120 -0.002 0.000 0.248 314 V C 2.539 178.701 176.094 0.112 0.000 1.055 314 V CA 2.229 64.571 62.300 0.069 0.000 1.049 314 V CB -0.989 30.863 31.823 0.048 0.000 0.662 314 V HN -0.066 nan 8.190 nan 0.000 0.455 315 K N 0.602 121.078 120.400 0.128 0.000 1.987 315 K HA -0.244 4.075 4.320 -0.002 0.000 0.216 315 K C 2.229 178.923 176.600 0.157 0.000 1.051 315 K CA 2.553 58.948 56.287 0.180 0.000 0.942 315 K CB -0.620 31.971 32.500 0.151 0.000 0.722 315 K HN 0.653 nan 8.250 nan 0.000 0.444 316 E N -1.184 119.065 120.200 0.082 0.000 2.110 316 E HA -0.118 4.230 4.350 -0.002 0.000 0.193 316 E C 1.919 178.519 176.600 -0.001 0.000 0.988 316 E CA 1.115 57.524 56.400 0.015 0.000 0.804 316 E CB -0.285 29.417 29.700 0.003 0.000 0.745 316 E HN 0.460 nan 8.360 nan 0.000 0.458 317 G N 0.478 109.307 108.800 0.047 0.000 2.476 317 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.218 317 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.218 317 G C 1.359 176.322 174.900 0.105 0.000 1.164 317 G CA 1.039 46.173 45.100 0.057 0.000 0.768 317 G HN 0.309 nan 8.290 nan 0.000 0.560 318 Y N 1.499 121.793 120.300 -0.010 0.000 2.097 318 Y HA -0.159 4.390 4.550 -0.002 0.000 0.282 318 Y C 2.691 178.488 175.900 -0.171 0.000 1.152 318 Y CA 1.896 60.001 58.100 0.007 0.000 1.136 318 Y CB -0.780 37.748 38.460 0.114 0.000 0.975 318 Y HN 0.461 nan 8.280 nan 0.000 0.498 319 E N -0.589 119.433 120.200 -0.296 0.000 2.110 319 E HA -0.184 4.164 4.350 -0.002 0.000 0.193 319 E C 2.216 178.381 176.600 -0.725 0.000 0.988 319 E CA 1.774 57.622 56.400 -0.920 0.000 0.804 319 E CB -0.145 29.027 29.700 -0.880 0.000 0.745 319 E HN 0.543 nan 8.360 nan 0.000 0.458 320 S N -0.479 115.009 115.700 -0.353 0.000 2.414 320 S HA -0.054 4.415 4.470 -0.002 0.000 0.227 320 S C 2.093 176.624 174.600 -0.116 0.000 1.022 320 S CA 0.792 58.851 58.200 -0.236 0.000 0.958 320 S CB -0.226 62.899 63.200 -0.124 0.000 0.797 320 S HN 0.140 nan 8.310 nan 0.000 0.493 321 V N 2.152 122.028 119.914 -0.063 0.000 2.255 321 V HA -0.169 3.950 4.120 -0.002 0.000 0.247 321 V C 2.704 178.798 176.094 -0.001 0.000 1.051 321 V CA 1.869 64.177 62.300 0.013 0.000 1.018 321 V CB -0.990 30.892 31.823 0.097 0.000 0.641 321 V HN 0.454 nan 8.190 nan 0.000 0.445 322 V N -0.222 119.649 119.914 -0.072 0.000 2.282 322 V HA -0.365 3.753 4.120 -0.002 0.000 0.249 322 V C 2.278 178.346 176.094 -0.044 0.000 1.057 322 V CA 2.556 64.787 62.300 -0.116 0.000 1.032 322 V CB -1.018 30.617 31.823 -0.313 0.000 0.645 322 V HN 0.670 nan 8.190 nan 0.000 0.447 323 H N -0.351 118.582 119.070 -0.229 0.000 2.319 323 H HA -0.173 4.382 4.556 -0.002 0.000 0.299 323 H C 2.358 177.623 175.328 -0.106 0.000 1.092 323 H CA 1.130 57.075 56.048 -0.171 0.000 1.302 323 H CB -0.080 29.574 29.762 -0.180 0.000 1.373 323 H HN 0.496 nan 8.280 nan 0.000 0.497 324 A N 1.134 123.982 122.820 0.047 0.000 1.908 324 A HA -0.159 4.159 4.320 -0.002 0.000 0.218 324 A C 2.405 179.989 177.584 -0.001 0.000 1.181 324 A CA 1.323 53.368 52.037 0.013 0.000 0.627 324 A CB -0.778 18.228 19.000 0.010 0.000 0.818 324 A HN 0.278 nan 8.150 nan 0.000 0.445 325 L N -1.368 119.854 121.223 -0.001 0.000 2.291 325 L HA -0.089 4.250 4.340 -0.002 0.000 0.214 325 L C 1.135 177.984 176.870 -0.035 0.000 1.120 325 L CA 0.690 55.525 54.840 -0.008 0.000 0.799 325 L CB -0.612 41.453 42.059 0.010 0.000 0.925 325 L HN 0.507 nan 8.230 nan 0.000 0.446 326 N N 0.868 119.537 118.700 -0.053 0.000 2.701 326 N HA -0.243 4.496 4.740 -0.002 0.000 0.250 326 N C -0.100 175.355 175.510 -0.092 0.000 1.046 326 N CA 0.518 53.521 53.050 -0.078 0.000 0.733 326 N CB -1.254 37.193 38.487 -0.066 0.000 0.973 326 N HN 0.285 nan 8.380 nan 0.000 0.541 327 D N -0.031 120.301 120.400 -0.112 0.000 2.382 327 D HA 0.073 4.712 4.640 -0.002 0.000 0.259 327 D C -1.155 175.030 176.300 -0.192 0.000 1.224 327 D CA -1.466 52.458 54.000 -0.127 0.000 0.894 327 D CB 0.887 41.612 40.800 -0.124 0.000 1.127 327 D HN 0.246 nan 8.370 nan 0.000 0.487 328 P HA -0.069 nan 4.420 nan 0.000 0.234 328 P C 0.476 177.597 177.300 -0.298 0.000 1.167 328 P CA 0.457 63.450 63.100 -0.178 0.000 0.763 328 P CB 0.395 32.048 31.700 -0.078 0.000 0.835 329 K N -0.592 119.633 120.400 -0.292 0.000 2.374 329 K HA 0.225 4.544 4.320 -0.002 0.000 0.196 329 K C 0.632 176.910 176.600 -0.536 0.000 1.023 329 K CA -0.249 55.859 56.287 -0.299 0.000 1.103 329 K CB 0.497 32.934 32.500 -0.104 0.000 0.848 329 K HN 0.225 nan 8.250 nan 0.000 0.528 330 I N 1.708 121.870 120.570 -0.681 0.000 2.433 330 I HA 0.236 4.405 4.170 -0.002 0.000 0.292 330 I C -0.279 175.398 176.117 -0.734 0.000 1.001 330 I CA -0.646 60.284 61.300 -0.616 0.000 1.119 330 I CB 1.403 39.082 38.000 -0.535 0.000 1.289 330 I HN 0.052 nan 8.210 nan 0.000 0.438 331 H N 5.727 124.619 119.070 -0.298 0.000 2.667 331 H HA 0.333 4.888 4.556 -0.002 0.000 0.353 331 H C -1.543 173.761 175.328 -0.040 0.000 1.072 331 H CA -0.467 55.466 56.048 -0.191 0.000 1.214 331 H CB 2.825 32.377 29.762 -0.349 0.000 1.600 331 H HN 0.551 nan 8.280 nan 0.000 0.527 332 Y N 2.508 122.814 120.300 0.010 0.000 2.393 332 Y HA 0.476 5.025 4.550 -0.002 0.000 0.341 332 Y C -1.371 174.590 175.900 0.101 0.000 0.988 332 Y CA -0.625 57.473 58.100 -0.002 0.000 1.078 332 Y CB 1.253 39.678 38.460 -0.059 0.000 1.203 332 Y HN 0.324 nan 8.280 nan 0.000 0.453 333 V N 6.888 126.494 119.914 -0.512 0.000 2.638 333 V HA 0.300 4.419 4.120 -0.002 0.000 0.306 333 V C -1.338 174.542 176.094 -0.358 0.000 1.052 333 V CA -1.094 61.072 62.300 -0.222 0.000 0.885 333 V CB 1.283 33.081 31.823 -0.041 0.000 0.999 333 V HN 0.734 nan 8.190 nan 0.000 0.424 334 Y N 3.001 123.145 120.300 -0.260 0.000 2.342 334 Y HA 0.825 5.374 4.550 -0.002 0.000 0.338 334 Y C -1.268 174.674 175.900 0.070 0.000 0.965 334 Y CA -1.061 56.974 58.100 -0.108 0.000 1.159 334 Y CB 1.255 39.753 38.460 0.063 0.000 1.157 334 Y HN 0.528 nan 8.280 nan 0.000 0.486 335 F N 4.460 124.282 119.950 -0.212 0.000 2.482 335 F HA 0.356 4.881 4.527 -0.002 0.000 0.331 335 F C -0.732 174.933 175.800 -0.225 0.000 1.115 335 F CA -1.231 56.608 58.000 -0.268 0.000 0.955 335 F CB 1.348 40.216 39.000 -0.220 0.000 1.136 335 F HN 0.622 nan 8.300 nan 0.000 0.452 336 D N 5.328 125.060 120.400 -1.114 0.000 2.339 336 D HA 0.126 4.765 4.640 -0.002 0.000 0.241 336 D C -1.331 174.383 176.300 -0.976 0.000 1.183 336 D CA 0.234 53.711 54.000 -0.872 0.000 0.859 336 D CB 0.122 40.533 40.800 -0.649 0.000 1.067 336 D HN 0.321 nan 8.370 nan 0.000 0.484 337 F N 5.713 125.225 119.950 -0.731 0.000 2.550 337 F HA 0.258 4.784 4.527 -0.002 0.000 0.348 337 F C -0.805 174.812 175.800 -0.304 0.000 1.219 337 F CA -0.631 57.131 58.000 -0.396 0.000 1.203 337 F CB -0.008 38.926 39.000 -0.109 0.000 1.436 337 F HN 0.359 nan 8.300 nan 0.000 0.541 338 H N 1.311 120.184 119.070 -0.328 0.000 2.585 338 H HA 0.337 4.892 4.556 -0.002 0.000 0.338 338 H C -0.078 174.980 175.328 -0.449 0.000 1.295 338 H CA -0.274 55.476 56.048 -0.497 0.000 1.356 338 H CB 1.092 30.518 29.762 -0.560 0.000 1.736 338 H HN 0.536 nan 8.280 nan 0.000 0.629 339 H N -1.360 117.715 119.070 0.008 0.000 2.639 339 H HA 0.102 4.656 4.556 -0.002 0.000 0.373 339 H C 0.445 175.751 175.328 -0.038 0.000 1.372 339 H CA -0.705 55.309 56.048 -0.057 0.000 1.448 339 H CB 0.295 30.015 29.762 -0.071 0.000 1.544 339 H HN 0.409 nan 8.280 nan 0.000 0.615 340 E N 0.708 120.993 120.200 0.141 0.000 2.376 340 E HA -0.032 4.317 4.350 -0.002 0.000 0.266 340 E C 0.139 176.774 176.600 0.058 0.000 1.009 340 E CA -0.070 56.390 56.400 0.101 0.000 0.902 340 E CB 0.472 30.197 29.700 0.042 0.000 0.972 340 E HN 0.808 nan 8.360 nan 0.000 0.439 341 C N 4.216 123.540 119.300 0.040 0.000 2.578 341 C HA 0.400 4.859 4.460 -0.002 0.000 0.285 341 C C 1.332 176.340 174.990 0.030 0.000 1.297 341 C CA -0.725 58.293 59.018 -0.000 0.000 1.690 341 C CB -0.838 26.870 27.740 -0.053 0.000 1.773 341 C HN 0.642 nan 8.230 nan 0.000 0.594 342 R N 0.310 120.828 120.500 0.030 0.000 2.472 342 R HA 0.234 4.573 4.340 -0.002 0.000 0.279 342 R C 1.065 177.370 176.300 0.009 0.000 0.953 342 R CA 0.094 56.206 56.100 0.021 0.000 1.088 342 R CB 0.258 30.553 30.300 -0.008 0.000 1.197 342 R HN 0.604 nan 8.270 nan 0.000 0.536 343 K N -1.715 118.713 120.400 0.047 0.000 2.868 343 K HA 0.124 4.443 4.320 -0.002 0.000 0.197 343 K C 1.352 178.037 176.600 0.143 0.000 1.543 343 K CA -0.035 56.284 56.287 0.054 0.000 1.212 343 K CB 0.044 32.548 32.500 0.006 0.000 1.840 343 K HN -0.135 nan 8.250 nan 0.000 0.571 344 M N 2.160 121.832 119.600 0.120 0.000 2.287 344 M HA 0.004 4.482 4.480 -0.002 0.000 0.266 344 M C 2.177 178.587 176.300 0.184 0.000 1.079 344 M CA 1.585 56.976 55.300 0.151 0.000 1.146 344 M CB 0.099 32.753 32.600 0.090 0.000 1.374 344 M HN 0.146 nan 8.290 nan 0.000 0.435 345 Q N -0.532 119.333 119.800 0.108 0.000 1.985 345 Q HA -0.272 4.067 4.340 -0.002 0.000 0.207 345 Q C 2.070 178.309 176.000 0.398 0.000 0.996 345 Q CA 2.444 58.280 55.803 0.055 0.000 0.851 345 Q CB -0.784 27.839 28.738 -0.191 0.000 0.921 345 Q HN 0.797 nan 8.270 nan 0.000 0.418 346 W N 1.247 122.657 121.300 0.185 0.000 2.388 346 W HA -0.203 4.456 4.660 -0.002 0.000 0.294 346 W C 1.889 178.518 176.519 0.184 0.000 1.212 346 W CA 1.843 59.308 57.345 0.200 0.000 1.271 346 W CB -0.930 28.594 29.460 0.107 0.000 1.126 346 W HN 0.490 nan 8.180 nan 0.000 0.535 347 H N 1.066 120.392 119.070 0.426 0.000 2.265 347 H HA -0.232 4.322 4.556 -0.002 0.000 0.293 347 H C 2.295 177.724 175.328 0.168 0.000 1.089 347 H CA 2.677 58.881 56.048 0.260 0.000 1.244 347 H CB -0.286 29.582 29.762 0.176 0.000 1.355 347 H HN 0.093 nan 8.280 nan 0.000 0.485 348 R N -0.095 120.481 120.500 0.127 0.000 2.139 348 R HA -0.118 4.221 4.340 -0.002 0.000 0.243 348 R C 2.557 178.964 176.300 0.178 0.000 1.145 348 R CA 1.334 57.553 56.100 0.198 0.000 0.976 348 R CB -0.077 30.423 30.300 0.333 0.000 0.866 348 R HN 0.230 nan 8.270 nan 0.000 0.449 349 V N 1.085 120.995 119.914 -0.007 0.000 2.453 349 V HA -0.183 3.935 4.120 -0.002 0.000 0.247 349 V C 2.131 177.881 176.094 -0.574 0.000 1.048 349 V CA 1.450 63.491 62.300 -0.433 0.000 1.049 349 V CB -0.287 31.214 31.823 -0.537 0.000 0.672 349 V HN 0.200 nan 8.190 nan 0.000 0.457 350 K N 0.136 120.239 120.400 -0.495 0.000 2.097 350 K HA -0.045 4.274 4.320 -0.002 0.000 0.206 350 K C 2.077 178.423 176.600 -0.424 0.000 1.049 350 K CA 1.180 57.192 56.287 -0.459 0.000 0.933 350 K CB -0.501 31.842 32.500 -0.263 0.000 0.717 350 K HN 0.390 nan 8.250 nan 0.000 0.442 351 L N 0.608 121.607 121.223 -0.373 0.000 2.083 351 L HA -0.182 4.157 4.340 -0.002 0.000 0.209 351 L C 2.456 179.058 176.870 -0.446 0.000 1.083 351 L CA 0.483 55.137 54.840 -0.310 0.000 0.752 351 L CB -0.482 41.469 42.059 -0.180 0.000 0.899 351 L HN 0.087 nan 8.230 nan 0.000 0.433 352 L N 0.258 120.976 121.223 -0.842 0.000 2.012 352 L HA -0.221 4.118 4.340 -0.002 0.000 0.210 352 L C 2.322 178.760 176.870 -0.720 0.000 1.073 352 L CA 1.818 55.948 54.840 -1.183 0.000 0.748 352 L CB -0.378 40.645 42.059 -1.726 0.000 0.891 352 L HN 0.084 nan 8.230 nan 0.000 0.431 353 I N -0.294 119.837 120.570 -0.731 0.000 2.226 353 I HA -0.296 3.873 4.170 -0.002 0.000 0.245 353 I C 2.065 177.785 176.117 -0.661 0.000 1.100 353 I CA 1.389 62.198 61.300 -0.818 0.000 1.374 353 I CB -0.602 36.729 38.000 -1.115 0.000 1.057 353 I HN 0.291 nan 8.210 nan 0.000 0.413 354 D N -0.247 119.870 120.400 -0.471 0.000 2.133 354 D HA -0.262 4.377 4.640 -0.002 0.000 0.195 354 D C 2.003 178.210 176.300 -0.154 0.000 0.997 354 D CA 1.423 55.265 54.000 -0.263 0.000 0.840 354 D CB -0.421 40.276 40.800 -0.172 0.000 0.947 354 D HN 0.481 nan 8.370 nan 0.000 0.452 355 H N 0.018 118.917 119.070 -0.285 0.000 2.357 355 H HA 0.003 4.558 4.556 -0.002 0.000 0.301 355 H C 2.297 177.512 175.328 -0.189 0.000 1.082 355 H CA 0.581 56.511 56.048 -0.197 0.000 1.342 355 H CB 0.002 29.647 29.762 -0.196 0.000 1.389 355 H HN 0.079 nan 8.280 nan 0.000 0.511 356 L N 0.648 121.655 121.223 -0.360 0.000 2.042 356 L HA -0.194 4.144 4.340 -0.002 0.000 0.210 356 L C 2.641 179.311 176.870 -0.334 0.000 1.076 356 L CA 1.487 56.082 54.840 -0.407 0.000 0.749 356 L CB -0.445 41.329 42.059 -0.476 0.000 0.893 356 L HN 0.409 nan 8.230 nan 0.000 0.432 357 E N 0.439 120.480 120.200 -0.265 0.000 2.077 357 E HA -0.256 4.093 4.350 -0.002 0.000 0.193 357 E C 2.159 178.717 176.600 -0.070 0.000 0.989 357 E CA 1.242 57.578 56.400 -0.107 0.000 0.800 357 E CB 0.127 29.811 29.700 -0.026 0.000 0.746 357 E HN 0.340 nan 8.360 nan 0.000 0.452 358 K N -0.049 120.308 120.400 -0.070 0.000 2.209 358 K HA -0.097 4.222 4.320 -0.002 0.000 0.204 358 K C 1.875 178.456 176.600 -0.032 0.000 1.048 358 K CA 0.802 57.078 56.287 -0.017 0.000 0.940 358 K CB 0.045 32.572 32.500 0.045 0.000 0.729 358 K HN 0.198 nan 8.250 nan 0.000 0.451 359 L N -1.265 119.900 121.223 -0.097 0.000 2.492 359 L HA 0.084 4.423 4.340 -0.002 0.000 0.223 359 L C 1.265 178.123 176.870 -0.020 0.000 1.132 359 L CA 0.584 55.391 54.840 -0.054 0.000 0.850 359 L CB 0.253 42.275 42.059 -0.061 0.000 0.966 359 L HN 0.444 nan 8.230 nan 0.000 0.454 360 G N -0.104 108.683 108.800 -0.023 0.000 2.273 360 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.162 360 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.162 360 G C -0.208 174.688 174.900 -0.007 0.000 1.006 360 G CA -0.477 44.638 45.100 0.025 0.000 0.704 360 G HN 0.069 nan 8.290 nan 0.000 0.487 361 L N 2.493 123.564 121.223 -0.255 0.000 2.410 361 L HA 0.747 5.086 4.340 -0.002 0.000 0.273 361 L C 0.482 177.353 176.870 0.001 0.000 1.152 361 L CA 0.294 54.917 54.840 -0.361 0.000 0.855 361 L CB 1.516 43.190 42.059 -0.641 0.000 1.129 361 L HN 0.255 nan 8.230 nan 0.000 0.463 362 S N 2.869 118.578 115.700 0.016 0.000 2.454 362 S HA 0.367 4.836 4.470 -0.002 0.000 0.306 362 S C 0.759 175.223 174.600 -0.226 0.000 1.100 362 S CA -0.594 57.586 58.200 -0.034 0.000 1.087 362 S CB 0.771 63.941 63.200 -0.049 0.000 1.019 362 S HN 0.806 nan 8.310 nan 0.000 0.480 363 N N 3.703 122.006 118.700 -0.661 0.000 2.571 363 N HA -0.043 4.696 4.740 -0.002 0.000 0.189 363 N C 0.536 175.778 175.510 -0.446 0.000 1.154 363 N CA 0.514 52.936 53.050 -1.046 0.000 0.907 363 N CB -0.267 36.988 38.487 -2.053 0.000 0.977 363 N HN 0.781 nan 8.380 nan 0.000 0.449 364 E N -0.660 119.358 120.200 -0.303 0.000 2.479 364 E HA -0.026 4.323 4.350 -0.002 0.000 0.193 364 E C -0.462 175.789 176.600 -0.582 0.000 1.049 364 E CA -0.028 56.167 56.400 -0.343 0.000 0.870 364 E CB 0.066 29.614 29.700 -0.253 0.000 0.944 364 E HN 0.261 nan 8.360 nan 0.000 0.492 365 D N 1.104 121.350 120.400 -0.258 0.000 2.517 365 D HA 0.092 4.731 4.640 -0.002 0.000 0.220 365 D C -1.124 175.240 176.300 0.107 0.000 1.158 365 D CA -0.164 53.767 54.000 -0.115 0.000 0.992 365 D CB -0.450 40.374 40.800 0.040 0.000 1.058 365 D HN -0.054 nan 8.370 nan 0.000 0.516 366 F N 0.517 120.550 119.950 0.139 0.000 2.686 366 F HA 0.499 5.025 4.527 -0.002 0.000 0.311 366 F C -1.278 174.690 175.800 0.279 0.000 1.128 366 F CA -1.951 56.207 58.000 0.264 0.000 0.946 366 F CB 0.497 39.620 39.000 0.204 0.000 1.336 366 F HN -0.087 nan 8.300 nan 0.000 0.457 367 F N 2.414 122.649 119.950 0.475 0.000 2.443 367 F HA 0.476 5.002 4.527 -0.002 0.000 0.353 367 F C -0.408 175.692 175.800 0.500 0.000 1.101 367 F CA 0.060 58.262 58.000 0.338 0.000 1.226 367 F CB 0.360 39.507 39.000 0.245 0.000 1.140 367 F HN 0.746 nan 8.300 nan 0.000 0.557 368 H N 5.669 124.374 119.070 -0.609 0.000 2.966 368 H HA 0.395 4.950 4.556 -0.002 0.000 0.347 368 H C -1.610 173.215 175.328 -0.838 0.000 1.048 368 H CA -1.039 54.673 56.048 -0.559 0.000 1.295 368 H CB 1.276 31.025 29.762 -0.021 0.000 1.744 368 H HN 0.751 nan 8.280 nan 0.000 0.513 369 K N 3.314 123.391 120.400 -0.538 0.000 2.443 369 K HA 0.591 4.910 4.320 -0.002 0.000 0.251 369 K C -1.690 174.718 176.600 -0.320 0.000 0.972 369 K CA -1.005 55.015 56.287 -0.446 0.000 0.833 369 K CB 2.614 34.928 32.500 -0.309 0.000 1.317 369 K HN 0.158 nan 8.250 nan 0.000 0.441 370 V N 3.070 122.777 119.914 -0.344 0.000 2.472 370 V HA 0.466 4.585 4.120 -0.002 0.000 0.290 370 V C 0.216 176.190 176.094 -0.200 0.000 1.037 370 V CA -0.719 61.355 62.300 -0.377 0.000 0.908 370 V CB 0.867 32.416 31.823 -0.457 0.000 0.985 370 V HN 0.826 nan 8.190 nan 0.000 0.454 371 I N 0.782 121.259 120.570 -0.154 0.000 3.067 371 I HA 0.854 5.023 4.170 -0.002 0.000 0.312 371 I C -0.666 175.405 176.117 -0.076 0.000 1.073 371 I CA -0.952 60.301 61.300 -0.079 0.000 1.016 371 I CB 2.307 40.283 38.000 -0.039 0.000 1.227 371 I HN 0.629 nan 8.210 nan 0.000 0.456 372 D N 0.468 120.839 120.400 -0.047 0.000 2.549 372 D HA 0.263 4.902 4.640 -0.002 0.000 0.270 372 D C 0.838 177.116 176.300 -0.036 0.000 1.181 372 D CA -0.399 53.577 54.000 -0.040 0.000 1.070 372 D CB 0.938 41.721 40.800 -0.028 0.000 1.154 372 D HN 0.609 nan 8.370 nan 0.000 0.602 373 S N -1.106 114.576 115.700 -0.030 0.000 2.507 373 S HA -0.145 4.324 4.470 -0.002 0.000 0.235 373 S C 0.877 175.458 174.600 -0.033 0.000 0.988 373 S CA 0.651 58.832 58.200 -0.032 0.000 0.944 373 S CB -0.874 62.311 63.200 -0.025 0.000 0.762 373 S HN 0.529 nan 8.310 nan 0.000 0.526 374 N N 0.705 119.390 118.700 -0.025 0.000 2.353 374 N HA 0.342 5.081 4.740 -0.002 0.000 0.185 374 N C 1.075 176.573 175.510 -0.020 0.000 1.098 374 N CA 0.421 53.459 53.050 -0.020 0.000 0.872 374 N CB 0.367 38.850 38.487 -0.007 0.000 0.970 374 N HN 0.545 nan 8.380 nan 0.000 0.467 375 G N 0.223 109.008 108.800 -0.025 0.000 2.157 375 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.239 375 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.239 375 G C -0.461 174.455 174.900 0.027 0.000 0.982 375 G CA -0.455 44.634 45.100 -0.019 0.000 0.650 375 G HN 0.251 nan 8.290 nan 0.000 0.527 376 N N 0.902 119.616 118.700 0.024 0.000 2.524 376 N HA 0.419 5.158 4.740 -0.002 0.000 0.283 376 N C 0.159 175.685 175.510 0.027 0.000 1.142 376 N CA 0.129 53.204 53.050 0.041 0.000 0.984 376 N CB 0.870 39.377 38.487 0.033 0.000 1.155 376 N HN 0.120 nan 8.380 nan 0.000 0.467 377 T N 0.767 115.348 114.554 0.044 0.000 2.834 377 T HA 0.129 4.478 4.350 -0.002 0.000 0.298 377 T C 1.605 176.301 174.700 -0.007 0.000 0.966 377 T CA -0.371 61.743 62.100 0.023 0.000 1.141 377 T CB 0.699 69.603 68.868 0.061 0.000 0.905 377 T HN 0.195 nan 8.240 nan 0.000 0.535 378 V N 1.965 121.852 119.914 -0.046 0.000 3.263 378 V HA 0.269 4.388 4.120 -0.002 0.000 0.248 378 V C 0.770 176.824 176.094 -0.067 0.000 1.145 378 V CA 0.536 62.804 62.300 -0.054 0.000 1.107 378 V CB -0.127 31.653 31.823 -0.072 0.000 0.797 378 V HN 0.910 nan 8.190 nan 0.000 0.467 379 E N -0.366 119.774 120.200 -0.099 0.000 2.381 379 E HA 0.400 4.749 4.350 -0.002 0.000 0.286 379 E C -1.813 174.683 176.600 -0.173 0.000 0.960 379 E CA -0.552 55.773 56.400 -0.125 0.000 0.793 379 E CB 2.058 31.663 29.700 -0.158 0.000 1.225 379 E HN 0.231 nan 8.360 nan 0.000 0.420 380 I N 5.252 125.734 120.570 -0.146 0.000 2.307 380 I HA 0.158 4.326 4.170 -0.002 0.000 0.289 380 I C 0.867 176.843 176.117 -0.236 0.000 1.021 380 I CA -0.340 60.842 61.300 -0.196 0.000 1.224 380 I CB 1.407 39.372 38.000 -0.059 0.000 1.376 380 I HN 0.480 nan 8.210 nan 0.000 0.470 381 V N 5.014 124.697 119.914 -0.385 0.000 2.725 381 V HA 0.061 4.180 4.120 -0.002 0.000 0.247 381 V C 0.520 176.472 176.094 -0.237 0.000 1.058 381 V CA 0.948 63.026 62.300 -0.369 0.000 1.080 381 V CB -0.550 30.832 31.823 -0.735 0.000 0.713 381 V HN 0.821 nan 8.190 nan 0.000 0.465 382 N N -1.033 117.527 118.700 -0.234 0.000 2.598 382 N HA 0.353 5.092 4.740 -0.002 0.000 0.263 382 N C -1.545 173.898 175.510 -0.113 0.000 1.254 382 N CA -0.517 52.442 53.050 -0.150 0.000 0.863 382 N CB 2.211 40.590 38.487 -0.179 0.000 1.586 382 N HN 0.213 nan 8.380 nan 0.000 0.491 383 E N 0.359 120.498 120.200 -0.101 0.000 2.266 383 E HA 0.253 4.602 4.350 -0.002 0.000 0.268 383 E C -1.247 175.178 176.600 -0.292 0.000 0.879 383 E CA -0.699 55.687 56.400 -0.024 0.000 0.762 383 E CB 2.162 31.827 29.700 -0.060 0.000 1.199 383 E HN 0.405 nan 8.360 nan 0.000 0.422 384 Q N 1.729 121.518 119.800 -0.017 0.000 2.304 384 Q HA 0.122 4.461 4.340 -0.002 0.000 0.260 384 Q C -0.516 175.477 176.000 -0.011 0.000 0.965 384 Q CA 0.283 56.104 55.803 0.031 0.000 0.898 384 Q CB 0.436 29.329 28.738 0.259 0.000 1.196 384 Q HN 0.678 nan 8.270 nan 0.000 0.402 385 H N 1.045 120.244 119.070 0.215 0.000 2.750 385 H HA 0.248 4.803 4.556 -0.002 0.000 0.252 385 H C -0.839 174.633 175.328 0.239 0.000 1.176 385 H CA -0.199 55.968 56.048 0.199 0.000 0.987 385 H CB 0.921 30.771 29.762 0.147 0.000 1.810 385 H HN 0.633 nan 8.280 nan 0.000 0.630 386 S N -0.376 115.547 115.700 0.373 0.000 2.596 386 S HA 0.636 5.105 4.470 -0.002 0.000 0.270 386 S C -1.428 173.386 174.600 0.357 0.000 1.155 386 S CA -0.808 57.633 58.200 0.402 0.000 0.827 386 S CB 2.532 66.028 63.200 0.493 0.000 1.130 386 S HN 0.011 nan 8.310 nan 0.000 0.467 387 V N 0.960 121.086 119.914 0.353 0.000 3.012 387 V HA 0.669 4.788 4.120 -0.002 0.000 0.307 387 V C -1.372 174.876 176.094 0.257 0.000 1.166 387 V CA -0.615 61.802 62.300 0.196 0.000 0.974 387 V CB 2.160 33.961 31.823 -0.037 0.000 1.040 387 V HN 1.013 nan 8.190 nan 0.000 0.428 388 V N 6.561 126.568 119.914 0.154 0.000 2.432 388 V HA 0.568 4.686 4.120 -0.002 0.000 0.275 388 V C 0.220 176.355 176.094 0.069 0.000 1.043 388 V CA -0.466 61.923 62.300 0.148 0.000 0.925 388 V CB 1.415 33.289 31.823 0.085 0.000 0.985 388 V HN 0.805 nan 8.190 nan 0.000 0.466 389 R N 3.493 124.067 120.500 0.123 0.000 2.310 389 R HA 0.518 4.857 4.340 -0.002 0.000 0.324 389 R C -0.122 176.247 176.300 0.115 0.000 0.955 389 R CA -0.259 55.912 56.100 0.117 0.000 0.830 389 R CB 1.577 32.034 30.300 0.262 0.000 1.154 389 R HN 0.906 nan 8.270 nan 0.000 0.458 390 T N 0.656 115.241 114.554 0.050 0.000 2.936 390 T HA 0.423 4.772 4.350 -0.002 0.000 0.282 390 T C -0.001 174.746 174.700 0.078 0.000 1.003 390 T CA -0.968 61.167 62.100 0.059 0.000 1.005 390 T CB 1.296 70.170 68.868 0.011 0.000 1.097 390 T HN 0.401 nan 8.240 nan 0.000 0.532 391 N N -0.172 118.586 118.700 0.097 0.000 2.456 391 N HA 0.265 5.004 4.740 -0.002 0.000 0.288 391 N C 0.800 176.330 175.510 0.034 0.000 1.059 391 N CA -0.672 52.427 53.050 0.081 0.000 0.946 391 N CB 1.167 39.727 38.487 0.122 0.000 1.150 391 N HN 0.711 nan 8.380 nan 0.000 0.479 392 C N 1.157 120.457 119.300 -0.000 0.000 2.411 392 C HA -0.154 4.305 4.460 -0.002 0.000 0.279 392 C C 2.499 177.487 174.990 -0.004 0.000 1.288 392 C CA 0.859 59.867 59.018 -0.017 0.000 1.764 392 C CB -0.920 26.793 27.740 -0.043 0.000 1.974 392 C HN 0.790 nan 8.230 nan 0.000 0.498 393 M N -0.573 119.030 119.600 0.006 0.000 2.447 393 M HA 0.130 4.609 4.480 -0.002 0.000 0.264 393 M C -0.130 176.198 176.300 0.047 0.000 1.095 393 M CA 1.211 56.522 55.300 0.019 0.000 1.125 393 M CB -0.503 32.108 32.600 0.018 0.000 1.389 393 M HN 0.076 nan 8.290 nan 0.000 0.459 394 D N 1.916 122.353 120.400 0.062 0.000 2.360 394 D HA 0.149 4.788 4.640 -0.002 0.000 0.242 394 D C -0.194 176.147 176.300 0.068 0.000 1.184 394 D CA -0.437 53.610 54.000 0.078 0.000 0.930 394 D CB 0.864 41.722 40.800 0.096 0.000 1.161 394 D HN 0.329 nan 8.370 nan 0.000 0.447 395 C N 1.496 120.843 119.300 0.078 0.000 2.634 395 C HA 0.013 4.472 4.460 -0.002 0.000 0.418 395 C C 2.305 177.337 174.990 0.069 0.000 1.373 395 C CA -0.679 58.378 59.018 0.066 0.000 1.756 395 C CB -0.732 27.048 27.740 0.066 0.000 2.589 395 C HN 0.590 nan 8.230 nan 0.000 0.602 396 L N 2.255 123.507 121.223 0.048 0.000 2.187 396 L HA -0.140 4.199 4.340 -0.002 0.000 0.213 396 L C 1.833 178.741 176.870 0.063 0.000 1.100 396 L CA 1.962 56.827 54.840 0.042 0.000 0.765 396 L CB -0.481 41.589 42.059 0.018 0.000 0.904 396 L HN 0.695 nan 8.230 nan 0.000 0.437 397 D N -0.700 119.741 120.400 0.069 0.000 2.117 397 D HA -0.141 4.498 4.640 -0.002 0.000 0.197 397 D C 2.306 178.686 176.300 0.133 0.000 0.987 397 D CA 1.209 55.258 54.000 0.082 0.000 0.829 397 D CB 0.015 40.851 40.800 0.061 0.000 0.961 397 D HN 0.386 nan 8.370 nan 0.000 0.460 398 R N -0.174 120.426 120.500 0.166 0.000 2.062 398 R HA -0.013 4.325 4.340 -0.002 0.000 0.226 398 R C 2.393 178.869 176.300 0.293 0.000 1.125 398 R CA 1.579 57.882 56.100 0.337 0.000 0.966 398 R CB -0.710 29.809 30.300 0.365 0.000 0.861 398 R HN 0.282 nan 8.270 nan 0.000 0.433 399 T N -0.955 113.691 114.554 0.154 0.000 2.867 399 T HA -0.129 4.220 4.350 -0.002 0.000 0.268 399 T C 1.643 176.380 174.700 0.061 0.000 1.057 399 T CA 1.552 63.694 62.100 0.070 0.000 1.136 399 T CB -0.323 68.572 68.868 0.045 0.000 0.874 399 T HN 0.158 nan 8.240 nan 0.000 0.466 400 N N 0.596 119.353 118.700 0.095 0.000 2.309 400 N HA -0.031 4.708 4.740 -0.002 0.000 0.182 400 N C 1.665 177.216 175.510 0.069 0.000 1.018 400 N CA 0.814 53.934 53.050 0.118 0.000 0.876 400 N CB -0.317 38.254 38.487 0.139 0.000 0.972 400 N HN 0.291 nan 8.380 nan 0.000 0.434 401 V N -0.579 119.396 119.914 0.101 0.000 2.379 401 V HA -0.143 3.976 4.120 -0.002 0.000 0.245 401 V C 2.160 178.202 176.094 -0.087 0.000 1.044 401 V CA 1.106 63.459 62.300 0.088 0.000 1.036 401 V CB -0.366 31.636 31.823 0.298 0.000 0.664 401 V HN 0.162 nan 8.190 nan 0.000 0.453 402 V N -0.290 119.542 119.914 -0.137 0.000 2.332 402 V HA -0.332 3.787 4.120 -0.002 0.000 0.248 402 V C 2.475 178.425 176.094 -0.240 0.000 1.055 402 V CA 2.120 64.240 62.300 -0.300 0.000 1.038 402 V CB -0.662 30.977 31.823 -0.308 0.000 0.651 402 V HN 0.598 nan 8.190 nan 0.000 0.450 403 Q N -0.894 118.812 119.800 -0.157 0.000 2.079 403 Q HA -0.173 4.166 4.340 -0.002 0.000 0.200 403 Q C 2.560 178.273 176.000 -0.479 0.000 0.974 403 Q CA 1.747 57.468 55.803 -0.137 0.000 0.840 403 Q CB -0.282 28.512 28.738 0.093 0.000 0.898 403 Q HN 0.590 nan 8.270 nan 0.000 0.430 404 S N -0.003 115.224 115.700 -0.789 0.000 2.356 404 S HA -0.125 4.344 4.470 -0.002 0.000 0.223 404 S C 2.036 176.319 174.600 -0.528 0.000 1.032 404 S CA 1.120 58.559 58.200 -1.268 0.000 1.005 404 S CB -0.125 62.664 63.200 -0.685 0.000 0.867 404 S HN 0.192 nan 8.310 nan 0.000 0.449 405 V N 2.163 121.843 119.914 -0.390 0.000 2.343 405 V HA -0.109 4.010 4.120 -0.002 0.000 0.247 405 V C 2.434 178.380 176.094 -0.246 0.000 1.051 405 V CA 1.314 63.375 62.300 -0.399 0.000 1.036 405 V CB -0.674 30.716 31.823 -0.722 0.000 0.654 405 V HN 0.389 nan 8.190 nan 0.000 0.451 406 L N 0.694 121.797 121.223 -0.199 0.000 2.046 406 L HA -0.095 4.244 4.340 -0.002 0.000 0.208 406 L C 2.581 179.528 176.870 0.128 0.000 1.077 406 L CA 2.415 57.248 54.840 -0.010 0.000 0.747 406 L CB -1.522 40.562 42.059 0.042 0.000 0.896 406 L HN 0.319 nan 8.230 nan 0.000 0.432 407 A N -1.440 121.477 122.820 0.163 0.000 1.972 407 A HA -0.244 4.075 4.320 -0.002 0.000 0.219 407 A C 2.134 179.810 177.584 0.153 0.000 1.169 407 A CA 1.489 53.690 52.037 0.273 0.000 0.635 407 A CB -0.403 18.916 19.000 0.532 0.000 0.810 407 A HN 0.606 nan 8.150 nan 0.000 0.446 408 Q N -2.096 117.798 119.800 0.156 0.000 2.084 408 Q HA -0.235 4.104 4.340 -0.002 0.000 0.202 408 Q C 1.909 178.073 176.000 0.273 0.000 0.978 408 Q CA 1.670 57.609 55.803 0.227 0.000 0.844 408 Q CB -0.274 28.538 28.738 0.123 0.000 0.898 408 Q HN 0.917 nan 8.270 nan 0.000 0.426 409 W N 0.504 121.759 121.300 -0.074 0.000 2.388 409 W HA -0.150 4.509 4.660 -0.002 0.000 0.294 409 W C 1.738 178.157 176.519 -0.166 0.000 1.212 409 W CA 1.113 58.392 57.345 -0.110 0.000 1.271 409 W CB -0.166 29.187 29.460 -0.178 0.000 1.126 409 W HN -0.173 nan 8.180 nan 0.000 0.535 410 V N 0.721 120.448 119.914 -0.311 0.000 2.379 410 V HA -0.255 3.863 4.120 -0.002 0.000 0.245 410 V C 2.248 177.995 176.094 -0.577 0.000 1.044 410 V CA 1.577 63.509 62.300 -0.613 0.000 1.036 410 V CB -1.227 29.972 31.823 -1.040 0.000 0.664 410 V HN 0.161 nan 8.190 nan 0.000 0.453 411 L N 0.397 121.326 121.223 -0.490 0.000 2.051 411 L HA -0.263 4.076 4.340 -0.002 0.000 0.214 411 L C 2.557 178.957 176.870 -0.782 0.000 1.076 411 L CA 2.373 56.747 54.840 -0.777 0.000 0.758 411 L CB -0.802 40.772 42.059 -0.808 0.000 0.890 411 L HN 0.448 nan 8.230 nan 0.000 0.433 412 Q N -0.597 119.062 119.800 -0.235 0.000 2.096 412 Q HA -0.228 4.111 4.340 -0.002 0.000 0.204 412 Q C 2.027 177.948 176.000 -0.131 0.000 0.982 412 Q CA 1.878 57.722 55.803 0.067 0.000 0.850 412 Q CB -0.092 28.777 28.738 0.218 0.000 0.901 412 Q HN 0.322 nan 8.270 nan 0.000 0.422 413 K N 0.445 120.683 120.400 -0.270 0.000 2.097 413 K HA -0.099 4.220 4.320 -0.002 0.000 0.205 413 K C 2.022 178.443 176.600 -0.299 0.000 1.050 413 K CA 1.417 57.590 56.287 -0.191 0.000 0.938 413 K CB -0.177 32.272 32.500 -0.084 0.000 0.718 413 K HN 0.481 nan 8.250 nan 0.000 0.442 414 E N 0.175 119.879 120.200 -0.827 0.000 2.038 414 E HA -0.149 4.200 4.350 -0.002 0.000 0.195 414 E C 1.968 178.007 176.600 -0.934 0.000 1.000 414 E CA 1.132 56.703 56.400 -1.382 0.000 0.803 414 E CB -0.279 28.204 29.700 -2.028 0.000 0.750 414 E HN 0.131 nan 8.360 nan 0.000 0.448 415 F N 1.603 121.163 119.950 -0.650 0.000 2.120 415 F HA -0.188 4.338 4.527 -0.002 0.000 0.300 415 F C 2.200 177.855 175.800 -0.242 0.000 1.095 415 F CA 1.300 59.054 58.000 -0.410 0.000 1.249 415 F CB -0.627 38.182 39.000 -0.318 0.000 0.995 415 F HN 0.047 nan 8.300 nan 0.000 0.480 416 E N -0.379 119.823 120.200 0.003 0.000 2.106 416 E HA -0.174 4.174 4.350 -0.002 0.000 0.192 416 E C 2.379 178.991 176.600 0.020 0.000 0.984 416 E CA 1.433 57.842 56.400 0.015 0.000 0.806 416 E CB -0.289 29.417 29.700 0.011 0.000 0.750 416 E HN 0.406 nan 8.360 nan 0.000 0.458 417 S N 0.789 116.503 115.700 0.024 0.000 2.402 417 S HA -0.057 4.412 4.470 -0.002 0.000 0.229 417 S C 1.931 176.598 174.600 0.112 0.000 1.021 417 S CA 0.911 59.193 58.200 0.137 0.000 0.974 417 S CB 0.037 63.429 63.200 0.320 0.000 0.800 417 S HN 0.212 nan 8.310 nan 0.000 0.484 418 A N 0.688 123.522 122.820 0.023 0.000 2.370 418 A HA 0.322 4.641 4.320 -0.002 0.000 0.238 418 A C 0.325 177.863 177.584 -0.078 0.000 1.289 418 A CA 0.237 52.200 52.037 -0.124 0.000 0.885 418 A CB -0.509 18.407 19.000 -0.140 0.000 0.961 418 A HN 0.399 nan 8.150 nan 0.000 0.499 419 D N -1.307 119.080 120.400 -0.021 0.000 2.701 419 D HA -0.143 4.496 4.640 -0.002 0.000 0.235 419 D C 0.848 177.134 176.300 -0.023 0.000 1.155 419 D CA 0.995 54.988 54.000 -0.012 0.000 0.649 419 D CB -1.514 39.282 40.800 -0.007 0.000 1.050 419 D HN 0.275 nan 8.370 nan 0.000 0.425 420 V N -1.079 118.822 119.914 -0.023 0.000 2.878 420 V HA -0.039 4.080 4.120 -0.002 0.000 0.250 420 V C 1.238 177.275 176.094 -0.095 0.000 1.075 420 V CA 1.332 63.594 62.300 -0.063 0.000 1.096 420 V CB 0.484 32.268 31.823 -0.065 0.000 0.724 420 V HN 0.350 nan 8.190 nan 0.000 0.467 421 V N -2.787 117.095 119.914 -0.054 0.000 2.962 421 V HA 0.944 5.063 4.120 -0.002 0.000 0.313 421 V C -0.205 175.885 176.094 -0.006 0.000 1.099 421 V CA -1.027 61.248 62.300 -0.041 0.000 0.971 421 V CB 1.509 33.318 31.823 -0.024 0.000 1.028 421 V HN 0.100 nan 8.190 nan 0.000 0.430 422 A N 1.721 124.538 122.820 -0.005 0.000 2.445 422 A HA 0.543 4.862 4.320 -0.002 0.000 0.242 422 A C 0.682 178.273 177.584 0.013 0.000 1.075 422 A CA 0.138 52.177 52.037 0.002 0.000 0.777 422 A CB -0.271 18.729 19.000 -0.002 0.000 1.013 422 A HN 1.154 nan 8.150 nan 0.000 0.493 423 T N 1.527 116.088 114.554 0.012 0.000 2.831 423 T HA 0.387 4.736 4.350 -0.002 0.000 0.291 423 T C 1.408 176.116 174.700 0.013 0.000 0.981 423 T CA 1.697 63.804 62.100 0.013 0.000 1.174 423 T CB -0.005 68.869 68.868 0.010 0.000 0.929 423 T HN 2.036 nan 8.240 nan 0.000 0.532 424 G N 3.212 112.022 108.800 0.018 0.000 2.143 424 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.248 424 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.248 424 G C 0.431 175.342 174.900 0.018 0.000 0.991 424 G CA 0.249 45.360 45.100 0.019 0.000 0.689 424 G HN 1.074 nan 8.290 nan 0.000 0.522 425 S N -1.106 114.608 115.700 0.023 0.000 2.652 425 S HA 0.762 5.231 4.470 -0.002 0.000 0.267 425 S C 0.114 174.729 174.600 0.025 0.000 1.201 425 S CA 0.375 58.586 58.200 0.017 0.000 0.996 425 S CB 1.785 64.996 63.200 0.018 0.000 1.054 425 S HN 0.635 nan 8.310 nan 0.000 0.561 426 T N 1.552 116.108 114.554 0.003 0.000 2.847 426 T HA 0.297 4.646 4.350 -0.002 0.000 0.291 426 T C 0.708 175.379 174.700 -0.049 0.000 0.998 426 T CA -0.708 61.364 62.100 -0.048 0.000 0.967 426 T CB 0.525 69.332 68.868 -0.102 0.000 0.954 426 T HN 0.846 nan 8.240 nan 0.000 0.441 427 W N 2.664 123.953 121.300 -0.019 0.000 2.467 427 W HA -0.000 4.658 4.660 -0.002 0.000 0.275 427 W C 0.377 176.861 176.519 -0.057 0.000 1.239 427 W CA 0.552 57.860 57.345 -0.062 0.000 1.266 427 W CB -0.446 29.015 29.460 0.002 0.000 1.112 427 W HN 0.585 nan 8.180 nan 0.000 0.576 428 E N 1.152 120.852 120.200 -0.833 0.000 2.472 428 E HA -0.142 4.207 4.350 -0.002 0.000 0.200 428 E C 1.129 177.544 176.600 -0.308 0.000 1.046 428 E CA 1.224 57.126 56.400 -0.830 0.000 0.871 428 E CB -0.415 28.713 29.700 -0.953 0.000 0.806 428 E HN 0.135 nan 8.360 nan 0.000 0.533 429 D N 0.231 120.520 120.400 -0.184 0.000 2.363 429 D HA -0.068 4.570 4.640 -0.002 0.000 0.226 429 D C 0.124 176.393 176.300 -0.052 0.000 1.020 429 D CA 0.395 54.333 54.000 -0.104 0.000 0.892 429 D CB -0.130 40.624 40.800 -0.077 0.000 0.900 429 D HN 0.055 nan 8.370 nan 0.000 0.531 430 N N 0.816 119.508 118.700 -0.013 0.000 2.558 430 N HA 0.184 4.922 4.740 -0.002 0.000 0.233 430 N C 0.814 176.353 175.510 0.047 0.000 1.038 430 N CA -0.162 52.904 53.050 0.026 0.000 0.934 430 N CB 1.250 39.772 38.487 0.058 0.000 1.175 430 N HN -0.129 nan 8.380 nan 0.000 0.512 431 A N 6.039 128.872 122.820 0.021 0.000 1.865 431 A HA -0.054 4.265 4.320 -0.002 0.000 0.217 431 A C -0.519 177.101 177.584 0.060 0.000 1.191 431 A CA 1.316 53.367 52.037 0.024 0.000 0.623 431 A CB -1.209 17.794 19.000 0.005 0.000 0.826 431 A HN 0.520 nan 8.150 nan 0.000 0.444 432 P HA -0.118 nan 4.420 nan 0.000 0.218 432 P C 1.628 179.002 177.300 0.123 0.000 1.149 432 P CA 0.831 63.976 63.100 0.075 0.000 0.817 432 P CB -0.041 31.690 31.700 0.052 0.000 0.785 433 L N -0.718 120.593 121.223 0.146 0.000 2.027 433 L HA -0.107 4.232 4.340 -0.002 0.000 0.206 433 L C 2.049 179.143 176.870 0.372 0.000 1.074 433 L CA 1.762 56.739 54.840 0.229 0.000 0.745 433 L CB -1.587 40.606 42.059 0.224 0.000 0.898 433 L HN -0.122 nan 8.230 nan 0.000 0.433 434 L N -0.717 120.717 121.223 0.352 0.000 2.083 434 L HA -0.169 4.170 4.340 -0.002 0.000 0.209 434 L C 2.303 179.359 176.870 0.310 0.000 1.083 434 L CA 2.418 57.465 54.840 0.344 0.000 0.752 434 L CB -1.196 40.910 42.059 0.080 0.000 0.899 434 L HN 0.384 nan 8.230 nan 0.000 0.433 435 T N -1.089 113.589 114.554 0.207 0.000 2.674 435 T HA -0.164 4.185 4.350 -0.002 0.000 0.265 435 T C 1.981 176.806 174.700 0.209 0.000 1.039 435 T CA 1.714 63.919 62.100 0.174 0.000 1.150 435 T CB -0.431 68.504 68.868 0.111 0.000 0.864 435 T HN 0.390 nan 8.240 nan 0.000 0.427 436 S N 0.406 116.234 115.700 0.215 0.000 2.370 436 S HA -0.130 4.339 4.470 -0.002 0.000 0.226 436 S C 1.724 176.486 174.600 0.271 0.000 1.033 436 S CA 1.256 59.578 58.200 0.203 0.000 1.011 436 S CB -0.557 62.749 63.200 0.177 0.000 0.852 436 S HN 0.590 nan 8.310 nan 0.000 0.457 437 Y N 2.155 122.615 120.300 0.266 0.000 2.145 437 Y HA -0.227 4.322 4.550 -0.002 0.000 0.286 437 Y C 2.503 178.645 175.900 0.402 0.000 1.145 437 Y CA 1.840 60.162 58.100 0.369 0.000 1.148 437 Y CB -0.467 38.305 38.460 0.521 0.000 0.981 437 Y HN 0.261 nan 8.280 nan 0.000 0.507 438 Q N -0.179 119.911 119.800 0.484 0.000 2.096 438 Q HA -0.218 4.121 4.340 -0.002 0.000 0.204 438 Q C 1.932 178.060 176.000 0.214 0.000 0.982 438 Q CA 1.536 57.546 55.803 0.346 0.000 0.850 438 Q CB -0.230 28.675 28.738 0.279 0.000 0.901 438 Q HN 0.533 nan 8.270 nan 0.000 0.422 439 N N 0.727 119.530 118.700 0.171 0.000 2.142 439 N HA -0.144 4.595 4.740 -0.002 0.000 0.186 439 N C 1.760 177.318 175.510 0.079 0.000 1.023 439 N CA 0.709 53.826 53.050 0.113 0.000 0.852 439 N CB -0.342 38.206 38.487 0.102 0.000 0.998 439 N HN 0.125 nan 8.380 nan 0.000 0.424 440 L N -0.172 121.091 121.223 0.067 0.000 1.990 440 L HA -0.125 4.214 4.340 -0.002 0.000 0.213 440 L C 1.859 178.637 176.870 -0.155 0.000 1.072 440 L CA 1.676 56.507 54.840 -0.016 0.000 0.755 440 L CB -0.643 41.380 42.059 -0.061 0.000 0.889 440 L HN 0.193 nan 8.230 nan 0.000 0.432 441 W N -1.059 120.126 121.300 -0.193 0.000 2.467 441 W HA 0.044 4.702 4.660 -0.002 0.000 0.275 441 W C 2.457 178.876 176.519 -0.167 0.000 1.239 441 W CA 1.218 58.437 57.345 -0.210 0.000 1.266 441 W CB -0.443 28.902 29.460 -0.193 0.000 1.112 441 W HN 0.260 nan 8.180 nan 0.000 0.576 442 A N -0.545 122.331 122.820 0.094 0.000 1.929 442 A HA -0.189 4.129 4.320 -0.002 0.000 0.216 442 A C 1.829 179.375 177.584 -0.063 0.000 1.176 442 A CA 1.766 53.827 52.037 0.041 0.000 0.628 442 A CB -0.741 18.300 19.000 0.068 0.000 0.816 442 A HN 0.186 nan 8.150 nan 0.000 0.444 443 D N -0.418 119.917 120.400 -0.109 0.000 2.117 443 D HA -0.183 4.455 4.640 -0.002 0.000 0.197 443 D C 1.811 177.785 176.300 -0.544 0.000 0.987 443 D CA 1.607 55.497 54.000 -0.182 0.000 0.829 443 D CB -0.123 40.662 40.800 -0.026 0.000 0.961 443 D HN 0.523 nan 8.370 nan 0.000 0.460 444 N N 0.764 118.894 118.700 -0.950 0.000 2.036 444 N HA -0.191 4.548 4.740 -0.002 0.000 0.195 444 N C 1.724 176.925 175.510 -0.516 0.000 1.037 444 N CA 2.180 54.513 53.050 -1.196 0.000 0.855 444 N CB -0.187 37.687 38.487 -1.022 0.000 1.033 444 N HN 0.066 nan 8.380 nan 0.000 0.423 445 A N 0.186 122.848 122.820 -0.262 0.000 1.908 445 A HA -0.181 4.138 4.320 -0.002 0.000 0.218 445 A C 1.899 179.417 177.584 -0.110 0.000 1.181 445 A CA 1.982 53.949 52.037 -0.117 0.000 0.627 445 A CB -0.852 18.139 19.000 -0.016 0.000 0.818 445 A HN 0.420 nan 8.150 nan 0.000 0.445 446 D N 0.103 120.435 120.400 -0.114 0.000 2.103 446 D HA -0.125 4.513 4.640 -0.002 0.000 0.190 446 D C 2.305 178.560 176.300 -0.074 0.000 0.997 446 D CA 1.870 55.828 54.000 -0.070 0.000 0.833 446 D CB -0.613 40.159 40.800 -0.048 0.000 0.961 446 D HN 0.410 nan 8.370 nan 0.000 0.447 447 A N 0.307 123.057 122.820 -0.117 0.000 1.908 447 A HA -0.159 4.160 4.320 -0.002 0.000 0.218 447 A C 2.425 179.949 177.584 -0.099 0.000 1.181 447 A CA 1.560 53.559 52.037 -0.063 0.000 0.627 447 A CB -0.611 18.394 19.000 0.008 0.000 0.818 447 A HN 0.199 nan 8.150 nan 0.000 0.445 448 V N 0.752 120.576 119.914 -0.149 0.000 3.406 448 V HA -0.096 4.023 4.120 -0.002 0.000 0.263 448 V C 2.601 178.631 176.094 -0.106 0.000 1.172 448 V CA 1.513 63.717 62.300 -0.160 0.000 1.140 448 V CB -0.280 31.436 31.823 -0.177 0.000 0.784 448 V HN 0.800 nan 8.190 nan 0.000 0.467 449 S N -0.278 115.381 115.700 -0.068 0.000 2.469 449 S HA -0.106 4.362 4.470 -0.002 0.000 0.238 449 S C 1.553 176.148 174.600 -0.007 0.000 0.998 449 S CA 0.868 59.050 58.200 -0.029 0.000 0.957 449 S CB -0.570 62.620 63.200 -0.016 0.000 0.764 449 S HN 0.319 nan 8.310 nan 0.000 0.514 450 V N 1.739 121.648 119.914 -0.009 0.000 3.392 450 V HA 0.062 4.181 4.120 -0.002 0.000 0.273 450 V C 2.049 178.201 176.094 0.096 0.000 1.228 450 V CA 0.945 63.270 62.300 0.042 0.000 1.224 450 V CB -1.691 30.159 31.823 0.046 0.000 0.986 450 V HN 0.705 nan 8.190 nan 0.000 0.494 451 A N -1.402 121.456 122.820 0.063 0.000 2.014 451 A HA 0.530 4.849 4.320 -0.002 0.000 0.210 451 A C 0.721 178.353 177.584 0.080 0.000 1.188 451 A CA 1.255 53.350 52.037 0.097 0.000 0.731 451 A CB 0.255 19.290 19.000 0.058 0.000 0.858 451 A HN 0.863 nan 8.150 nan 0.000 0.464 452 Y N -2.556 117.776 120.300 0.053 0.000 2.641 452 Y HA 0.598 5.147 4.550 -0.002 0.000 0.333 452 Y C -0.616 175.305 175.900 0.035 0.000 1.174 452 Y CA -0.762 57.364 58.100 0.044 0.000 1.057 452 Y CB 0.544 39.024 38.460 0.033 0.000 1.322 452 Y HN 0.115 nan 8.280 nan 0.000 0.457 453 S N 1.310 117.030 115.700 0.033 0.000 2.498 453 S HA 0.768 5.236 4.470 -0.002 0.000 0.324 453 S C 0.433 175.047 174.600 0.024 0.000 1.071 453 S CA -0.012 58.205 58.200 0.027 0.000 1.113 453 S CB 0.786 64.002 63.200 0.026 0.000 0.976 453 S HN 1.874 nan 8.310 nan 0.000 0.462 454 G N 1.163 109.977 108.800 0.023 0.000 2.815 454 G HA2 0.534 4.493 3.960 -0.002 0.000 0.305 454 G HA3 0.534 4.493 3.960 -0.002 0.000 0.305 454 G C 0.490 175.403 174.900 0.021 0.000 1.277 454 G CA 0.117 45.231 45.100 0.022 0.000 0.795 454 G HN 0.525 nan 8.290 nan 0.000 0.528 455 T N -3.703 110.864 114.554 0.022 0.000 3.071 455 T HA 0.557 4.906 4.350 -0.002 0.000 0.239 455 T C 1.041 175.754 174.700 0.021 0.000 0.997 455 T CA 1.368 63.483 62.100 0.024 0.000 1.134 455 T CB 0.458 69.344 68.868 0.030 0.000 0.928 455 T HN 1.885 nan 8.240 nan 0.000 0.453 456 G N 0.000 108.810 108.800 0.017 0.000 5.446 456 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 456 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 456 G CA 0.000 45.107 45.100 0.012 0.000 0.502 456 G HN 0.000 nan 8.290 nan 0.000 0.925