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 1m3y_1_B DATA FIRST_RESID 25 DATA SEQUENCE TFFKTVYRRY TNFAIESIQQ TINGSVGFGN KVSTQISRNG DLITDIVVEF DATA SEQUENCE VLTKGGNGGT TYYPAEELLQ DVELEIGGQR IDKHYNDWFR TYDALFRMND DATA SEQUENCE DRYNYRRMTD WVNNELVGAQ KRFYVPLIFF FNQTPGLALP LIALQYHEVK DATA SEQUENCE LYFTLASQVQ GVNYNGSSAI AGAAQPTMSV WVDYIFLDTQ ERTRFAQLPH DATA SEQUENCE EYLIEQLQFT GSETATPSAT TQASQNIRLN FNHPTKYLAW NFNNPTNYGQ DATA SEQUENCE YTALANIPGA CSGAGTAAAT VTTPDYGNTG TYNEQLAVLD SAKIQLNGQD DATA SEQUENCE RFATRKGSYF NKVQPYQSIG GVTPAGVYLY SFALKPAGRQ PSGTCNFSRI DATA SEQUENCE DNATLSLTYK TCSIDATSPA AVLGNTETVT ANTATLLTAL NIYAKNYNVL DATA SEQUENCE RIMSGMGGLA YAN 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 25 T HA 0.000 nan 4.350 nan 0.000 0.228 25 T C 0.000 174.388 174.700 -0.521 0.000 1.109 25 T CA 0.000 61.878 62.100 -0.369 0.000 1.349 25 T CB 0.000 68.807 68.868 -0.102 0.000 0.612 26 F N 0.180 119.929 119.950 -0.336 0.000 2.695 26 F HA 0.358 4.884 4.527 -0.002 0.000 0.303 26 F C 1.036 176.366 175.800 -0.784 0.000 1.091 26 F CA -0.284 57.352 58.000 -0.606 0.000 1.300 26 F CB 0.131 38.629 39.000 -0.836 0.000 1.071 26 F HN 0.482 nan 8.300 nan 0.000 0.578 27 F N -0.350 119.661 119.950 0.103 0.000 2.639 27 F HA 0.295 4.821 4.527 -0.002 0.000 0.302 27 F C 0.532 176.337 175.800 0.009 0.000 1.097 27 F CA -0.160 57.877 58.000 0.062 0.000 1.294 27 F CB 0.403 39.440 39.000 0.060 0.000 1.027 27 F HN -0.348 nan 8.300 nan 0.000 0.550 28 K N 0.919 121.352 120.400 0.054 0.000 3.050 28 K HA 0.234 4.552 4.320 -0.002 0.000 0.185 28 K C -0.632 175.912 176.600 -0.093 0.000 1.147 28 K CA 0.015 56.302 56.287 -0.000 0.000 0.916 28 K CB 0.215 32.726 32.500 0.017 0.000 1.119 28 K HN -0.141 nan 8.250 nan 0.000 0.605 29 T N 1.198 115.652 114.554 -0.167 0.000 2.834 29 T HA 0.161 4.510 4.350 -0.002 0.000 0.298 29 T C -0.183 174.264 174.700 -0.421 0.000 0.966 29 T CA -0.115 61.797 62.100 -0.313 0.000 1.141 29 T CB 0.702 69.296 68.868 -0.457 0.000 0.905 29 T HN 0.082 nan 8.240 nan 0.000 0.535 30 V N 5.858 125.592 119.914 -0.300 0.000 2.259 30 V HA 0.224 4.343 4.120 -0.002 0.000 0.267 30 V C -0.335 175.670 176.094 -0.148 0.000 1.051 30 V CA -0.949 61.229 62.300 -0.203 0.000 0.830 30 V CB -0.792 30.981 31.823 -0.083 0.000 1.080 30 V HN 0.732 nan 8.190 nan 0.000 0.467 31 Y N 3.751 124.078 120.300 0.046 0.000 2.709 31 Y HA 0.204 4.753 4.550 -0.002 0.000 0.348 31 Y C 1.239 177.181 175.900 0.069 0.000 1.267 31 Y CA 0.069 58.206 58.100 0.063 0.000 1.486 31 Y CB 0.347 38.852 38.460 0.075 0.000 1.356 31 Y HN 0.430 nan 8.280 nan 0.000 0.639 32 R N 1.602 122.272 120.500 0.284 0.000 2.598 32 R HA 0.447 4.786 4.340 -0.002 0.000 0.279 32 R C -0.311 176.118 176.300 0.215 0.000 0.984 32 R CA -0.902 55.317 56.100 0.197 0.000 0.999 32 R CB 0.922 31.326 30.300 0.174 0.000 1.114 32 R HN 0.653 nan 8.270 nan 0.000 0.493 33 R N 1.743 122.326 120.500 0.138 0.000 2.404 33 R HA 0.312 4.650 4.340 -0.002 0.000 0.291 33 R C -0.336 176.035 176.300 0.118 0.000 1.025 33 R CA -0.432 55.700 56.100 0.054 0.000 0.991 33 R CB 0.860 31.154 30.300 -0.010 0.000 1.053 33 R HN 0.600 nan 8.270 nan 0.000 0.479 34 Y N -1.862 118.501 120.300 0.104 0.000 2.753 34 Y HA 0.475 5.024 4.550 -0.002 0.000 0.324 34 Y C 0.175 176.161 175.900 0.143 0.000 1.147 34 Y CA -1.342 56.833 58.100 0.126 0.000 1.173 34 Y CB 0.449 39.004 38.460 0.159 0.000 1.361 34 Y HN 0.358 nan 8.280 nan 0.000 0.545 35 T N 1.863 116.661 114.554 0.406 0.000 2.794 35 T HA 0.169 4.518 4.350 -0.002 0.000 0.296 35 T C -0.277 174.705 174.700 0.470 0.000 0.949 35 T CA -0.513 61.777 62.100 0.316 0.000 1.101 35 T CB -0.536 68.496 68.868 0.275 0.000 0.905 35 T HN 0.740 nan 8.240 nan 0.000 0.516 36 N N 4.282 123.141 118.700 0.266 0.000 2.412 36 N HA 0.340 5.079 4.740 -0.002 0.000 0.258 36 N C -0.606 175.125 175.510 0.369 0.000 1.236 36 N CA 0.202 53.397 53.050 0.242 0.000 0.882 36 N CB -0.121 38.421 38.487 0.092 0.000 1.066 36 N HN 0.592 nan 8.380 nan 0.000 0.465 37 F N 0.674 120.739 119.950 0.192 0.000 2.789 37 F HA 0.873 5.399 4.527 -0.002 0.000 0.319 37 F C -1.568 174.328 175.800 0.160 0.000 1.168 37 F CA -1.237 56.863 58.000 0.167 0.000 0.934 37 F CB 0.785 39.874 39.000 0.148 0.000 1.375 37 F HN 0.499 nan 8.300 nan 0.000 0.480 38 A N 1.179 124.194 122.820 0.325 0.000 2.549 38 A HA 0.828 5.147 4.320 -0.002 0.000 0.297 38 A C -1.669 176.217 177.584 0.503 0.000 1.061 38 A CA -0.772 51.389 52.037 0.206 0.000 0.690 38 A CB 1.361 20.426 19.000 0.108 0.000 1.287 38 A HN 0.824 nan 8.150 nan 0.000 0.402 39 I N 0.382 121.176 120.570 0.374 0.000 2.797 39 I HA 0.705 4.874 4.170 -0.002 0.000 0.307 39 I C -0.162 176.172 176.117 0.363 0.000 1.033 39 I CA -0.515 61.023 61.300 0.396 0.000 1.071 39 I CB 2.183 40.363 38.000 0.301 0.000 1.255 39 I HN 0.747 nan 8.210 nan 0.000 0.445 40 E N 2.280 122.728 120.200 0.414 0.000 2.481 40 E HA 0.173 4.521 4.350 -0.002 0.000 0.301 40 E C -1.788 175.050 176.600 0.398 0.000 0.948 40 E CA -0.301 56.325 56.400 0.377 0.000 0.804 40 E CB 2.263 32.231 29.700 0.445 0.000 1.265 40 E HN 0.530 nan 8.360 nan 0.000 0.406 41 S N 4.554 120.453 115.700 0.331 0.000 2.465 41 S HA 0.539 5.008 4.470 -0.002 0.000 0.279 41 S C -0.340 174.592 174.600 0.552 0.000 1.201 41 S CA -0.328 58.116 58.200 0.408 0.000 1.053 41 S CB 0.060 63.437 63.200 0.296 0.000 0.953 41 S HN 0.359 nan 8.310 nan 0.000 0.488 42 I N 4.212 125.101 120.570 0.532 0.000 2.465 42 I HA 0.325 4.494 4.170 -0.002 0.000 0.291 42 I C 0.190 176.264 176.117 -0.073 0.000 1.014 42 I CA -0.698 60.769 61.300 0.278 0.000 1.093 42 I CB 1.941 40.041 38.000 0.167 0.000 1.267 42 I HN 0.572 nan 8.210 nan 0.000 0.431 43 Q N 4.073 123.384 119.800 -0.816 0.000 2.364 43 Q HA 0.109 4.448 4.340 -0.002 0.000 0.267 43 Q C -0.748 174.915 176.000 -0.562 0.000 0.999 43 Q CA -0.121 54.875 55.803 -1.345 0.000 0.886 43 Q CB 0.965 28.678 28.738 -1.708 0.000 1.243 43 Q HN 0.428 nan 8.270 nan 0.000 0.415 44 Q N 0.993 120.518 119.800 -0.459 0.000 2.205 44 Q HA 0.351 4.690 4.340 -0.002 0.000 0.249 44 Q C -1.132 174.740 176.000 -0.214 0.000 0.948 44 Q CA -0.126 55.543 55.803 -0.223 0.000 0.895 44 Q CB 2.084 30.749 28.738 -0.123 0.000 1.249 44 Q HN 0.603 nan 8.270 nan 0.000 0.458 45 T N 2.426 116.898 114.554 -0.138 0.000 2.729 45 T HA 0.422 4.770 4.350 -0.002 0.000 0.296 45 T C 0.153 174.793 174.700 -0.099 0.000 0.928 45 T CA -0.224 61.806 62.100 -0.117 0.000 1.045 45 T CB -0.099 68.717 68.868 -0.086 0.000 0.902 45 T HN 0.359 nan 8.240 nan 0.000 0.500 46 I N 4.588 125.091 120.570 -0.110 0.000 2.441 46 I HA 0.177 4.346 4.170 -0.002 0.000 0.287 46 I C 0.756 176.834 176.117 -0.066 0.000 1.049 46 I CA -0.460 60.782 61.300 -0.097 0.000 1.381 46 I CB 0.589 38.510 38.000 -0.132 0.000 1.409 46 I HN 0.525 nan 8.210 nan 0.000 0.523 47 N N 5.644 124.315 118.700 -0.049 0.000 2.424 47 N HA 0.549 5.287 4.740 -0.002 0.000 0.271 47 N C -0.348 175.152 175.510 -0.016 0.000 0.985 47 N CA 0.269 53.297 53.050 -0.036 0.000 0.921 47 N CB 1.703 40.163 38.487 -0.046 0.000 1.149 47 N HN 0.903 nan 8.380 nan 0.000 0.492 48 G N 1.295 110.089 108.800 -0.010 0.000 2.434 48 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.671 48 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.671 48 G C -1.443 173.457 174.900 -0.000 0.000 1.280 48 G CA -0.464 44.639 45.100 0.006 0.000 0.975 48 G HN 0.651 nan 8.290 nan 0.000 0.510 49 S N -0.691 115.015 115.700 0.010 0.000 2.422 49 S HA 0.556 5.025 4.470 -0.002 0.000 0.308 49 S C 0.441 175.042 174.600 0.002 0.000 1.097 49 S CA -0.308 57.895 58.200 0.004 0.000 1.099 49 S CB 0.781 63.989 63.200 0.013 0.000 0.976 49 S HN 1.363 nan 8.310 nan 0.000 0.471 50 V N 5.414 125.319 119.914 -0.016 0.000 2.521 50 V HA 0.624 4.742 4.120 -0.002 0.000 0.286 50 V C 1.093 177.157 176.094 -0.050 0.000 1.034 50 V CA 0.785 63.067 62.300 -0.030 0.000 1.045 50 V CB 0.236 32.033 31.823 -0.042 0.000 0.974 50 V HN 1.060 nan 8.190 nan 0.000 0.480 51 G N 3.840 112.596 108.800 -0.072 0.000 2.411 51 G HA2 0.441 4.400 3.960 -0.002 0.000 0.295 51 G HA3 0.441 4.400 3.960 -0.002 0.000 0.295 51 G C -1.134 173.710 174.900 -0.094 0.000 1.542 51 G CA -1.005 44.025 45.100 -0.116 0.000 0.814 51 G HN 0.292 nan 8.290 nan 0.000 0.557 52 F N 1.283 121.248 119.950 0.026 0.000 2.612 52 F HA 0.341 4.867 4.527 -0.002 0.000 0.389 52 F C 1.751 177.575 175.800 0.040 0.000 1.055 52 F CA 2.037 60.051 58.000 0.022 0.000 1.232 52 F CB 0.863 39.885 39.000 0.035 0.000 1.044 52 F HN 1.444 nan 8.300 nan 0.000 0.560 53 G N 1.963 110.893 108.800 0.217 0.000 2.176 53 G HA2 -0.299 3.659 3.960 -0.002 0.000 0.253 53 G HA3 -0.299 3.659 3.960 -0.002 0.000 0.253 53 G C 0.078 175.048 174.900 0.116 0.000 0.979 53 G CA -0.272 44.918 45.100 0.151 0.000 0.641 53 G HN 0.592 nan 8.290 nan 0.000 0.530 54 N N 0.673 119.434 118.700 0.102 0.000 2.508 54 N HA 0.556 5.295 4.740 -0.002 0.000 0.285 54 N C -0.029 175.543 175.510 0.104 0.000 1.144 54 N CA -0.144 52.959 53.050 0.087 0.000 0.978 54 N CB 0.900 39.424 38.487 0.062 0.000 1.180 54 N HN 0.318 nan 8.380 nan 0.000 0.484 55 K N 0.514 120.979 120.400 0.108 0.000 2.185 55 K HA 0.562 4.881 4.320 -0.002 0.000 0.269 55 K C -0.913 175.765 176.600 0.129 0.000 0.987 55 K CA -0.707 55.663 56.287 0.138 0.000 0.865 55 K CB 1.988 34.571 32.500 0.138 0.000 1.090 55 K HN 0.250 nan 8.250 nan 0.000 0.450 56 V N 1.178 121.193 119.914 0.168 0.000 3.040 56 V HA 0.696 4.815 4.120 -0.002 0.000 0.312 56 V C -1.195 175.002 176.094 0.172 0.000 1.115 56 V CA -0.310 62.069 62.300 0.131 0.000 0.998 56 V CB 2.233 34.106 31.823 0.085 0.000 1.042 56 V HN 1.004 nan 8.190 nan 0.000 0.433 57 S N 2.735 118.467 115.700 0.054 0.000 2.685 57 S HA 0.890 5.358 4.470 -0.002 0.000 0.282 57 S C -0.875 173.689 174.600 -0.060 0.000 1.159 57 S CA -0.573 57.573 58.200 -0.090 0.000 0.833 57 S CB 2.210 65.123 63.200 -0.479 0.000 1.151 57 S HN 1.080 nan 8.310 nan 0.000 0.485 58 T N 1.223 115.706 114.554 -0.119 0.000 3.041 58 T HA 0.438 4.787 4.350 -0.002 0.000 0.321 58 T C -1.710 172.924 174.700 -0.109 0.000 1.184 58 T CA -0.610 61.453 62.100 -0.060 0.000 1.050 58 T CB 1.806 70.706 68.868 0.054 0.000 1.159 58 T HN 0.681 nan 8.240 nan 0.000 0.469 59 Q N 2.987 122.738 119.800 -0.082 0.000 2.347 59 Q HA 0.342 4.681 4.340 -0.002 0.000 0.262 59 Q C -0.336 175.644 176.000 -0.033 0.000 0.980 59 Q CA -0.840 54.923 55.803 -0.067 0.000 0.867 59 Q CB 0.627 29.332 28.738 -0.055 0.000 1.242 59 Q HN 0.527 nan 8.270 nan 0.000 0.453 60 I N 3.418 123.974 120.570 -0.024 0.000 2.821 60 I HA -0.094 4.075 4.170 -0.002 0.000 0.294 60 I C 0.837 176.977 176.117 0.039 0.000 1.210 60 I CA 0.734 62.042 61.300 0.014 0.000 1.430 60 I CB -0.160 37.828 38.000 -0.020 0.000 1.356 60 I HN 0.561 nan 8.210 nan 0.000 0.563 61 S N 7.299 123.046 115.700 0.078 0.000 2.565 61 S HA 0.368 4.836 4.470 -0.002 0.000 0.274 61 S C 0.377 175.006 174.600 0.048 0.000 1.309 61 S CA -0.900 57.319 58.200 0.032 0.000 1.043 61 S CB 0.950 64.139 63.200 -0.018 0.000 0.939 61 S HN 0.518 nan 8.310 nan 0.000 0.504 62 R N 2.485 122.978 120.500 -0.012 0.000 3.710 62 R HA 0.194 4.533 4.340 -0.002 0.000 0.201 62 R C 0.296 176.516 176.300 -0.133 0.000 1.641 62 R CA -0.268 55.812 56.100 -0.033 0.000 1.390 62 R CB -0.513 29.768 30.300 -0.032 0.000 1.341 62 R HN 0.633 nan 8.270 nan 0.000 0.728 63 N N 0.225 118.719 118.700 -0.343 0.000 2.368 63 N HA -0.019 4.720 4.740 -0.002 0.000 0.178 63 N C 1.012 176.268 175.510 -0.424 0.000 1.021 63 N CA 0.658 53.445 53.050 -0.438 0.000 0.875 63 N CB 0.364 38.418 38.487 -0.722 0.000 1.020 63 N HN 0.380 nan 8.380 nan 0.000 0.433 64 G N 0.082 108.497 108.800 -0.642 0.000 2.597 64 G HA2 0.265 4.224 3.960 -0.002 0.000 0.317 64 G HA3 0.265 4.224 3.960 -0.002 0.000 0.317 64 G C -0.009 174.729 174.900 -0.270 0.000 1.230 64 G CA -0.333 44.371 45.100 -0.660 0.000 0.996 64 G HN -0.116 nan 8.290 nan 0.000 0.490 65 D N -0.893 119.306 120.400 -0.334 0.000 2.137 65 D HA 0.034 4.672 4.640 -0.002 0.000 0.202 65 D C 0.930 177.079 176.300 -0.251 0.000 0.970 65 D CA 1.024 54.889 54.000 -0.224 0.000 0.837 65 D CB 0.264 40.939 40.800 -0.209 0.000 0.981 65 D HN 0.117 nan 8.370 nan 0.000 0.475 66 L N 0.424 121.484 121.223 -0.272 0.000 2.309 66 L HA 0.545 4.884 4.340 -0.002 0.000 0.261 66 L C -0.334 176.389 176.870 -0.246 0.000 1.021 66 L CA -1.187 53.482 54.840 -0.285 0.000 0.823 66 L CB 2.612 44.467 42.059 -0.340 0.000 1.366 66 L HN -0.134 nan 8.230 nan 0.000 0.423 67 I N -2.175 118.231 120.570 -0.273 0.000 2.582 67 I HA 0.691 4.859 4.170 -0.002 0.000 0.292 67 I C 0.032 176.113 176.117 -0.062 0.000 1.066 67 I CA -0.280 60.841 61.300 -0.298 0.000 1.053 67 I CB 2.155 39.897 38.000 -0.431 0.000 1.241 67 I HN 0.770 nan 8.210 nan 0.000 0.421 68 T N 0.020 114.560 114.554 -0.022 0.000 3.257 68 T HA 0.255 4.604 4.350 -0.002 0.000 0.176 68 T C 0.266 174.957 174.700 -0.015 0.000 0.892 68 T CA -0.134 61.996 62.100 0.049 0.000 1.147 68 T CB -0.395 68.458 68.868 -0.026 0.000 1.840 68 T HN 0.581 nan 8.240 nan 0.000 0.375 69 D N 1.361 121.729 120.400 -0.053 0.000 2.372 69 D HA 0.463 5.102 4.640 -0.002 0.000 0.243 69 D C -0.476 175.812 176.300 -0.021 0.000 1.121 69 D CA 0.266 54.226 54.000 -0.067 0.000 0.898 69 D CB 1.071 41.849 40.800 -0.036 0.000 1.202 69 D HN 0.430 nan 8.370 nan 0.000 0.428 70 I N 1.356 121.920 120.570 -0.011 0.000 2.548 70 I HA 0.168 4.336 4.170 -0.002 0.000 0.287 70 I C -0.697 175.479 176.117 0.098 0.000 1.103 70 I CA -0.801 60.544 61.300 0.074 0.000 1.049 70 I CB 2.213 40.282 38.000 0.114 0.000 1.232 70 I HN -0.069 nan 8.210 nan 0.000 0.429 71 V N 6.717 126.721 119.914 0.150 0.000 2.555 71 V HA 0.458 4.577 4.120 -0.002 0.000 0.302 71 V C -0.225 175.952 176.094 0.139 0.000 1.038 71 V CA -0.755 61.636 62.300 0.151 0.000 0.887 71 V CB 2.446 34.364 31.823 0.158 0.000 0.991 71 V HN 0.373 nan 8.190 nan 0.000 0.434 72 V N 4.124 124.069 119.914 0.051 0.000 2.347 72 V HA 0.388 4.506 4.120 -0.002 0.000 0.280 72 V C 0.045 175.952 176.094 -0.312 0.000 1.021 72 V CA -0.603 61.588 62.300 -0.181 0.000 0.847 72 V CB 1.337 32.991 31.823 -0.283 0.000 0.990 72 V HN 0.903 nan 8.190 nan 0.000 0.444 73 E N 4.263 124.252 120.200 -0.352 0.000 2.249 73 E HA 0.596 4.945 4.350 -0.002 0.000 0.280 73 E C -1.327 174.946 176.600 -0.545 0.000 1.016 73 E CA -0.196 55.950 56.400 -0.422 0.000 0.830 73 E CB 1.663 31.188 29.700 -0.293 0.000 1.081 73 E HN 0.538 nan 8.360 nan 0.000 0.395 74 F N 1.022 120.875 119.950 -0.161 0.000 2.576 74 F HA 0.441 4.967 4.527 -0.002 0.000 0.313 74 F C -0.510 175.276 175.800 -0.023 0.000 1.078 74 F CA -1.120 56.839 58.000 -0.068 0.000 0.921 74 F CB 1.832 40.819 39.000 -0.023 0.000 1.232 74 F HN 0.114 nan 8.300 nan 0.000 0.459 75 V N 4.500 124.555 119.914 0.236 0.000 2.443 75 V HA 0.522 4.641 4.120 -0.002 0.000 0.293 75 V C -0.542 175.695 176.094 0.239 0.000 1.021 75 V CA -0.559 61.829 62.300 0.146 0.000 0.848 75 V CB 1.553 33.404 31.823 0.046 0.000 0.998 75 V HN 0.530 nan 8.190 nan 0.000 0.424 76 L N 3.195 124.658 121.223 0.399 0.000 2.309 76 L HA 0.806 5.145 4.340 -0.002 0.000 0.261 76 L C -0.227 177.004 176.870 0.601 0.000 1.021 76 L CA -0.613 54.500 54.840 0.455 0.000 0.823 76 L CB 2.718 45.042 42.059 0.442 0.000 1.366 76 L HN 0.446 nan 8.230 nan 0.000 0.423 77 T N 0.218 115.045 114.554 0.455 0.000 2.841 77 T HA 0.321 4.670 4.350 -0.002 0.000 0.285 77 T C -0.526 174.193 174.700 0.032 0.000 0.991 77 T CA -0.819 61.443 62.100 0.268 0.000 0.966 77 T CB 1.559 70.505 68.868 0.130 0.000 0.962 77 T HN 0.361 nan 8.240 nan 0.000 0.438 78 K N 1.278 121.445 120.400 -0.389 0.000 2.436 78 K HA 0.333 4.652 4.320 -0.002 0.000 0.275 78 K C 1.146 177.571 176.600 -0.292 0.000 0.999 78 K CA -0.146 55.762 56.287 -0.632 0.000 0.980 78 K CB 0.481 32.413 32.500 -0.947 0.000 0.919 78 K HN 0.762 nan 8.250 nan 0.000 0.484 79 G N 1.438 110.100 108.800 -0.230 0.000 3.453 79 G HA2 0.323 4.282 3.960 -0.002 0.000 0.263 79 G HA3 0.323 4.282 3.960 -0.002 0.000 0.263 79 G C 0.183 174.994 174.900 -0.149 0.000 1.060 79 G CA 0.023 45.030 45.100 -0.155 0.000 0.793 79 G HN 0.711 nan 8.290 nan 0.000 0.532 80 G N -0.518 108.173 108.800 -0.181 0.000 2.687 80 G HA2 0.450 4.409 3.960 -0.002 0.000 0.291 80 G HA3 0.450 4.409 3.960 -0.002 0.000 0.291 80 G C -0.671 174.142 174.900 -0.145 0.000 1.420 80 G CA -0.658 44.361 45.100 -0.135 0.000 0.796 80 G HN 0.002 nan 8.290 nan 0.000 0.485 81 N N -0.633 118.013 118.700 -0.089 0.000 2.483 81 N HA 0.324 5.063 4.740 -0.002 0.000 0.278 81 N C 0.944 176.421 175.510 -0.055 0.000 1.355 81 N CA 0.330 53.334 53.050 -0.076 0.000 0.896 81 N CB -0.445 38.017 38.487 -0.041 0.000 1.100 81 N HN 0.676 nan 8.380 nan 0.000 0.460 82 G N -2.004 106.787 108.800 -0.015 0.000 2.432 82 G HA2 0.396 4.355 3.960 -0.002 0.000 0.257 82 G HA3 0.396 4.355 3.960 -0.002 0.000 0.257 82 G C 0.749 175.681 174.900 0.054 0.000 1.238 82 G CA 0.207 45.319 45.100 0.020 0.000 0.838 82 G HN 0.740 nan 8.290 nan 0.000 0.547 83 G N 1.072 109.925 108.800 0.088 0.000 2.198 83 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.260 83 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.260 83 G C 0.867 175.871 174.900 0.174 0.000 1.025 83 G CA 0.866 46.042 45.100 0.127 0.000 0.769 83 G HN 0.982 nan 8.290 nan 0.000 0.507 84 T N -0.418 114.213 114.554 0.128 0.000 3.040 84 T HA 0.317 4.666 4.350 -0.002 0.000 0.250 84 T C 1.036 175.767 174.700 0.052 0.000 1.058 84 T CA 1.188 63.342 62.100 0.091 0.000 0.988 84 T CB 0.661 69.518 68.868 -0.019 0.000 0.993 84 T HN 0.381 nan 8.240 nan 0.000 0.519 85 T N 0.911 115.559 114.554 0.155 0.000 2.942 85 T HA 0.597 4.945 4.350 -0.002 0.000 0.289 85 T C -2.050 172.851 174.700 0.335 0.000 1.044 85 T CA -0.474 61.751 62.100 0.208 0.000 1.023 85 T CB 1.477 70.532 68.868 0.313 0.000 1.123 85 T HN 0.142 nan 8.240 nan 0.000 0.512 86 Y N 2.384 122.769 120.300 0.141 0.000 2.347 86 Y HA 0.301 4.849 4.550 -0.002 0.000 0.339 86 Y C -1.144 174.928 175.900 0.287 0.000 1.152 86 Y CA -1.246 56.977 58.100 0.206 0.000 1.321 86 Y CB -0.188 38.461 38.460 0.316 0.000 1.137 86 Y HN 0.825 nan 8.280 nan 0.000 0.486 87 Y N 4.478 124.631 120.300 -0.244 0.000 3.078 87 Y HA -0.264 4.285 4.550 -0.002 0.000 0.202 87 Y C -1.903 173.839 175.900 -0.263 0.000 1.322 87 Y CA 0.466 58.407 58.100 -0.264 0.000 1.118 87 Y CB -0.991 37.329 38.460 -0.234 0.000 1.343 87 Y HN 0.478 nan 8.280 nan 0.000 0.499 88 P HA -0.258 nan 4.420 nan 0.000 0.215 88 P C 1.601 178.632 177.300 -0.447 0.000 1.157 88 P CA 2.483 65.392 63.100 -0.319 0.000 0.868 88 P CB 0.129 31.647 31.700 -0.304 0.000 0.788 89 A N -0.262 122.196 122.820 -0.603 0.000 1.972 89 A HA -0.235 4.084 4.320 -0.002 0.000 0.219 89 A C 2.321 179.801 177.584 -0.173 0.000 1.169 89 A CA 1.676 53.436 52.037 -0.463 0.000 0.635 89 A CB -1.214 17.570 19.000 -0.359 0.000 0.810 89 A HN 0.207 nan 8.150 nan 0.000 0.446 90 E N -0.312 119.840 120.200 -0.079 0.000 2.046 90 E HA -0.223 4.125 4.350 -0.002 0.000 0.190 90 E C 2.026 178.596 176.600 -0.051 0.000 0.982 90 E CA 1.210 57.664 56.400 0.091 0.000 0.800 90 E CB -0.183 29.675 29.700 0.264 0.000 0.756 90 E HN 0.745 nan 8.360 nan 0.000 0.449 91 E N 0.616 120.644 120.200 -0.286 0.000 2.110 91 E HA -0.183 4.166 4.350 -0.002 0.000 0.193 91 E C 2.355 178.780 176.600 -0.293 0.000 0.988 91 E CA 0.553 56.622 56.400 -0.550 0.000 0.804 91 E CB -0.098 28.994 29.700 -1.012 0.000 0.745 91 E HN 0.327 nan 8.360 nan 0.000 0.458 92 L N 0.804 121.846 121.223 -0.302 0.000 2.043 92 L HA -0.142 4.197 4.340 -0.002 0.000 0.212 92 L C 1.354 178.128 176.870 -0.160 0.000 1.075 92 L CA 0.893 55.548 54.840 -0.308 0.000 0.752 92 L CB -0.064 41.555 42.059 -0.734 0.000 0.891 92 L HN 0.253 nan 8.230 nan 0.000 0.432 93 L N 0.679 121.857 121.223 -0.075 0.000 2.376 93 L HA -0.059 4.280 4.340 -0.002 0.000 0.250 93 L C 1.490 178.345 176.870 -0.026 0.000 1.335 93 L CA 0.009 54.886 54.840 0.063 0.000 1.214 93 L CB 0.334 42.464 42.059 0.119 0.000 1.395 93 L HN 0.371 nan 8.230 nan 0.000 0.424 94 Q N 1.578 121.398 119.800 0.033 0.000 2.152 94 Q HA -0.184 4.155 4.340 -0.002 0.000 0.206 94 Q C -0.439 175.606 176.000 0.076 0.000 0.985 94 Q CA 2.063 57.911 55.803 0.075 0.000 0.863 94 Q CB 0.292 29.098 28.738 0.115 0.000 0.904 94 Q HN 0.866 nan 8.270 nan 0.000 0.422 95 D N -3.421 116.996 120.400 0.027 0.000 2.720 95 D HA 0.419 5.058 4.640 -0.002 0.000 0.239 95 D C -1.485 174.776 176.300 -0.064 0.000 1.218 95 D CA -0.821 53.124 54.000 -0.090 0.000 0.748 95 D CB 1.350 42.060 40.800 -0.149 0.000 1.387 95 D HN -0.076 nan 8.370 nan 0.000 0.438 96 V N -0.038 119.813 119.914 -0.105 0.000 2.709 96 V HA 0.662 4.780 4.120 -0.002 0.000 0.308 96 V C -0.723 175.361 176.094 -0.017 0.000 1.062 96 V CA -0.732 61.509 62.300 -0.099 0.000 0.901 96 V CB 1.669 33.514 31.823 0.038 0.000 1.003 96 V HN 0.760 nan 8.190 nan 0.000 0.425 97 E N 3.368 123.510 120.200 -0.096 0.000 2.191 97 E HA 0.527 4.876 4.350 -0.002 0.000 0.263 97 E C -1.593 174.905 176.600 -0.170 0.000 0.881 97 E CA -0.638 55.703 56.400 -0.099 0.000 0.757 97 E CB 2.069 31.710 29.700 -0.099 0.000 1.147 97 E HN 0.712 nan 8.360 nan 0.000 0.414 98 L N 4.423 125.411 121.223 -0.392 0.000 2.276 98 L HA 0.430 4.769 4.340 -0.002 0.000 0.286 98 L C -0.667 176.083 176.870 -0.201 0.000 1.061 98 L CA -0.168 54.403 54.840 -0.448 0.000 0.807 98 L CB 1.033 42.564 42.059 -0.879 0.000 1.177 98 L HN 0.700 nan 8.230 nan 0.000 0.429 99 E N 5.929 126.078 120.200 -0.084 0.000 2.256 99 E HA 0.471 4.820 4.350 -0.002 0.000 0.268 99 E C -1.617 174.959 176.600 -0.039 0.000 0.877 99 E CA -0.656 55.721 56.400 -0.038 0.000 0.757 99 E CB 2.048 31.770 29.700 0.035 0.000 1.183 99 E HN 0.585 nan 8.360 nan 0.000 0.418 100 I N 3.236 123.779 120.570 -0.044 0.000 2.436 100 I HA 0.345 4.513 4.170 -0.002 0.000 0.289 100 I C 0.754 176.803 176.117 -0.113 0.000 1.010 100 I CA -0.608 60.674 61.300 -0.031 0.000 1.098 100 I CB 1.948 39.968 38.000 0.034 0.000 1.266 100 I HN 0.930 nan 8.210 nan 0.000 0.434 101 G N 4.308 112.935 108.800 -0.288 0.000 2.356 101 G HA2 -0.157 3.801 3.960 -0.002 0.000 0.296 101 G HA3 -0.157 3.801 3.960 -0.002 0.000 0.296 101 G C 1.039 175.696 174.900 -0.406 0.000 1.022 101 G CA 0.804 45.421 45.100 -0.804 0.000 0.961 101 G HN 1.497 nan 8.290 nan 0.000 0.510 102 G N -1.738 106.949 108.800 -0.189 0.000 2.267 102 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.257 102 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.257 102 G C 0.455 175.299 174.900 -0.093 0.000 0.998 102 G CA 1.245 46.279 45.100 -0.110 0.000 0.620 102 G HN 1.317 nan 8.290 nan 0.000 0.529 103 Q N 0.571 120.316 119.800 -0.091 0.000 2.243 103 Q HA 0.453 4.792 4.340 -0.002 0.000 0.252 103 Q C 0.395 176.364 176.000 -0.050 0.000 0.909 103 Q CA -0.722 55.050 55.803 -0.051 0.000 0.922 103 Q CB 0.762 29.491 28.738 -0.014 0.000 1.215 103 Q HN 0.492 nan 8.270 nan 0.000 0.427 104 R N 4.579 125.047 120.500 -0.053 0.000 2.267 104 R HA 0.101 4.439 4.340 -0.002 0.000 0.319 104 R C 0.545 176.828 176.300 -0.028 0.000 1.067 104 R CA -0.204 55.860 56.100 -0.060 0.000 0.936 104 R CB 0.394 30.654 30.300 -0.067 0.000 1.006 104 R HN 0.632 nan 8.270 nan 0.000 0.452 105 I N 1.838 122.386 120.570 -0.036 0.000 2.628 105 I HA 0.180 4.349 4.170 -0.002 0.000 0.255 105 I C 0.365 176.497 176.117 0.025 0.000 1.119 105 I CA 0.768 62.072 61.300 0.007 0.000 1.448 105 I CB -0.789 37.248 38.000 0.061 0.000 1.133 105 I HN 0.664 nan 8.210 nan 0.000 0.438 106 D N -0.212 120.166 120.400 -0.037 0.000 2.653 106 D HA 0.353 4.992 4.640 -0.002 0.000 0.258 106 D C -1.214 175.077 176.300 -0.015 0.000 1.252 106 D CA -0.529 53.489 54.000 0.029 0.000 0.777 106 D CB 2.163 43.049 40.800 0.143 0.000 1.339 106 D HN -0.095 nan 8.370 nan 0.000 0.422 107 K N 1.377 121.839 120.400 0.104 0.000 2.565 107 K HA 0.424 4.743 4.320 -0.002 0.000 0.251 107 K C -1.517 175.155 176.600 0.120 0.000 0.956 107 K CA -0.601 55.712 56.287 0.043 0.000 0.809 107 K CB 0.900 33.379 32.500 -0.036 0.000 1.267 107 K HN 0.403 nan 8.250 nan 0.000 0.438 108 H N 1.462 120.536 119.070 0.007 0.000 2.595 108 H HA 0.497 5.052 4.556 -0.002 0.000 0.346 108 H C -0.896 174.229 175.328 -0.338 0.000 1.181 108 H CA -0.290 55.784 56.048 0.043 0.000 1.242 108 H CB 0.829 30.828 29.762 0.395 0.000 1.652 108 H HN 0.453 nan 8.280 nan 0.000 0.548 109 Y N -0.717 119.778 120.300 0.325 0.000 2.634 109 Y HA 0.176 4.724 4.550 -0.002 0.000 0.340 109 Y C 1.523 177.435 175.900 0.020 0.000 1.058 109 Y CA -0.961 57.219 58.100 0.134 0.000 1.081 109 Y CB 0.680 39.223 38.460 0.137 0.000 1.295 109 Y HN 0.421 nan 8.280 nan 0.000 0.487 110 N N 0.763 119.586 118.700 0.205 0.000 2.011 110 N HA -0.234 4.504 4.740 -0.002 0.000 0.199 110 N C 1.264 176.951 175.510 0.294 0.000 1.047 110 N CA 2.263 55.436 53.050 0.205 0.000 0.863 110 N CB -0.366 38.329 38.487 0.347 0.000 1.056 110 N HN 0.879 nan 8.380 nan 0.000 0.427 111 D N -0.014 120.560 120.400 0.290 0.000 2.221 111 D HA -0.154 4.485 4.640 -0.002 0.000 0.204 111 D C 1.830 178.219 176.300 0.149 0.000 0.982 111 D CA 0.706 54.839 54.000 0.222 0.000 0.857 111 D CB -0.131 40.827 40.800 0.263 0.000 0.934 111 D HN 0.456 nan 8.370 nan 0.000 0.475 112 W N -0.139 121.132 121.300 -0.049 0.000 2.378 112 W HA -0.241 4.418 4.660 -0.002 0.000 0.313 112 W C 1.326 177.849 176.519 0.005 0.000 1.197 112 W CA 0.449 57.612 57.345 -0.303 0.000 1.304 112 W CB -0.439 28.934 29.460 -0.146 0.000 1.148 112 W HN -0.089 nan 8.180 nan 0.000 0.494 113 F N 1.359 121.092 119.950 -0.361 0.000 2.154 113 F HA -0.219 4.307 4.527 -0.002 0.000 0.301 113 F C 2.675 178.271 175.800 -0.340 0.000 1.087 113 F CA 2.049 59.810 58.000 -0.398 0.000 1.274 113 F CB -1.504 37.452 39.000 -0.074 0.000 1.009 113 F HN -0.090 nan 8.300 nan 0.000 0.485 114 R N 0.015 120.507 120.500 -0.013 0.000 2.066 114 R HA -0.107 4.232 4.340 -0.002 0.000 0.232 114 R C 2.163 178.356 176.300 -0.179 0.000 1.131 114 R CA 2.107 58.138 56.100 -0.115 0.000 0.955 114 R CB -0.972 29.271 30.300 -0.095 0.000 0.851 114 R HN 0.154 nan 8.270 nan 0.000 0.432 115 T N -0.177 114.238 114.554 -0.231 0.000 2.777 115 T HA -0.161 4.188 4.350 -0.002 0.000 0.266 115 T C 1.318 175.719 174.700 -0.497 0.000 1.040 115 T CA 1.504 63.412 62.100 -0.320 0.000 1.141 115 T CB -0.487 68.208 68.868 -0.289 0.000 0.868 115 T HN 0.357 nan 8.240 nan 0.000 0.444 116 Y N 1.894 121.612 120.300 -0.970 0.000 2.224 116 Y HA -0.146 4.403 4.550 -0.002 0.000 0.289 116 Y C 2.176 177.764 175.900 -0.519 0.000 1.146 116 Y CA 1.608 59.163 58.100 -0.909 0.000 1.182 116 Y CB -0.346 37.286 38.460 -1.379 0.000 0.983 116 Y HN 0.185 nan 8.280 nan 0.000 0.524 117 D N -0.233 119.880 120.400 -0.480 0.000 2.117 117 D HA -0.143 4.496 4.640 -0.002 0.000 0.198 117 D C 2.196 178.266 176.300 -0.383 0.000 0.982 117 D CA 1.383 55.096 54.000 -0.479 0.000 0.828 117 D CB -0.297 40.232 40.800 -0.452 0.000 0.967 117 D HN 0.397 nan 8.370 nan 0.000 0.464 118 A N -0.312 122.314 122.820 -0.323 0.000 1.969 118 A HA -0.037 4.282 4.320 -0.002 0.000 0.218 118 A C 2.246 179.624 177.584 -0.342 0.000 1.169 118 A CA 0.914 52.804 52.037 -0.246 0.000 0.635 118 A CB -0.464 18.432 19.000 -0.174 0.000 0.810 118 A HN 0.360 nan 8.150 nan 0.000 0.445 119 L N -3.036 117.885 121.223 -0.505 0.000 2.262 119 L HA 0.155 4.494 4.340 -0.002 0.000 0.197 119 L C 1.676 177.959 176.870 -0.979 0.000 1.073 119 L CA 0.704 55.086 54.840 -0.764 0.000 0.800 119 L CB -0.054 41.434 42.059 -0.951 0.000 0.987 119 L HN 0.402 nan 8.230 nan 0.000 0.470 120 F N -0.812 118.714 119.950 -0.707 0.000 2.695 120 F HA 0.232 4.757 4.527 -0.002 0.000 0.303 120 F C 1.089 176.520 175.800 -0.616 0.000 1.091 120 F CA -0.307 57.260 58.000 -0.722 0.000 1.300 120 F CB 0.279 38.695 39.000 -0.973 0.000 1.071 120 F HN -0.130 nan 8.300 nan 0.000 0.578 121 R N 1.936 122.178 120.500 -0.430 0.000 2.589 121 R HA 0.726 5.065 4.340 -0.002 0.000 0.293 121 R C -0.657 175.538 176.300 -0.174 0.000 0.963 121 R CA -0.506 55.432 56.100 -0.270 0.000 0.905 121 R CB 1.256 31.376 30.300 -0.300 0.000 1.144 121 R HN 0.188 nan 8.270 nan 0.000 0.459 122 M N 0.878 120.420 119.600 -0.096 0.000 2.721 122 M HA 0.477 4.956 4.480 -0.002 0.000 0.271 122 M C -0.639 175.658 176.300 -0.006 0.000 1.259 122 M CA -0.791 54.475 55.300 -0.056 0.000 0.835 122 M CB 1.998 34.546 32.600 -0.087 0.000 1.689 122 M HN 0.828 nan 8.290 nan 0.000 0.470 123 N N -0.021 118.684 118.700 0.009 0.000 1.191 123 N HA -0.243 4.495 4.740 -0.002 0.000 0.120 123 N C -0.269 175.289 175.510 0.080 0.000 0.826 123 N CA 1.556 54.623 53.050 0.027 0.000 0.876 123 N CB -0.986 37.502 38.487 0.003 0.000 1.050 123 N HN 0.881 nan 8.380 nan 0.000 0.603 124 D N -0.081 120.365 120.400 0.077 0.000 2.219 124 D HA -0.076 4.562 4.640 -0.002 0.000 0.205 124 D C 1.344 177.730 176.300 0.143 0.000 0.970 124 D CA 1.250 55.331 54.000 0.134 0.000 0.851 124 D CB -0.576 40.280 40.800 0.094 0.000 0.943 124 D HN 0.400 nan 8.370 nan 0.000 0.488 125 D N 0.343 120.794 120.400 0.085 0.000 2.144 125 D HA -0.133 4.506 4.640 -0.002 0.000 0.200 125 D C 1.976 178.341 176.300 0.107 0.000 0.978 125 D CA 0.795 54.836 54.000 0.069 0.000 0.833 125 D CB 0.123 40.940 40.800 0.028 0.000 0.961 125 D HN 0.017 nan 8.370 nan 0.000 0.470 126 R N -1.292 119.276 120.500 0.114 0.000 2.115 126 R HA -0.161 4.178 4.340 -0.002 0.000 0.226 126 R C 1.975 178.434 176.300 0.264 0.000 1.100 126 R CA 0.831 57.024 56.100 0.156 0.000 0.980 126 R CB -0.362 29.997 30.300 0.098 0.000 0.875 126 R HN 0.311 nan 8.270 nan 0.000 0.445 127 Y N 1.235 121.606 120.300 0.117 0.000 2.286 127 Y HA -0.074 4.475 4.550 -0.002 0.000 0.293 127 Y C 1.869 177.823 175.900 0.091 0.000 1.124 127 Y CA 1.600 59.762 58.100 0.103 0.000 1.178 127 Y CB -0.545 37.954 38.460 0.065 0.000 1.010 127 Y HN 0.127 nan 8.280 nan 0.000 0.536 128 N N -1.077 117.587 118.700 -0.060 0.000 2.120 128 N HA -0.287 4.452 4.740 -0.002 0.000 0.188 128 N C 1.953 177.406 175.510 -0.095 0.000 1.024 128 N CA 1.239 54.197 53.050 -0.153 0.000 0.852 128 N CB -0.490 37.983 38.487 -0.023 0.000 1.003 128 N HN 0.484 nan 8.380 nan 0.000 0.424 129 Y N 1.893 122.157 120.300 -0.060 0.000 2.207 129 Y HA -0.160 4.389 4.550 -0.002 0.000 0.287 129 Y C 2.559 178.472 175.900 0.022 0.000 1.156 129 Y CA 1.591 59.695 58.100 0.006 0.000 1.182 129 Y CB -0.334 38.159 38.460 0.056 0.000 0.979 129 Y HN -0.032 nan 8.280 nan 0.000 0.521 130 R N 0.045 120.513 120.500 -0.054 0.000 2.148 130 R HA -0.079 4.260 4.340 -0.002 0.000 0.223 130 R C 2.314 178.408 176.300 -0.344 0.000 1.088 130 R CA 1.001 56.956 56.100 -0.241 0.000 0.985 130 R CB -0.068 30.131 30.300 -0.169 0.000 0.880 130 R HN 0.338 nan 8.270 nan 0.000 0.451 131 R N -0.347 119.929 120.500 -0.372 0.000 2.075 131 R HA -0.044 4.295 4.340 -0.002 0.000 0.232 131 R C 2.182 178.365 176.300 -0.195 0.000 1.126 131 R CA 1.722 57.631 56.100 -0.318 0.000 0.963 131 R CB -0.151 29.925 30.300 -0.374 0.000 0.858 131 R HN 0.239 nan 8.270 nan 0.000 0.435 132 M N -0.657 118.837 119.600 -0.176 0.000 2.394 132 M HA -0.064 4.415 4.480 -0.002 0.000 0.264 132 M C 1.389 177.687 176.300 -0.004 0.000 1.073 132 M CA 1.282 56.553 55.300 -0.049 0.000 1.111 132 M CB 0.293 32.864 32.600 -0.048 0.000 1.401 132 M HN 0.020 nan 8.290 nan 0.000 0.448 133 T N -0.120 114.316 114.554 -0.197 0.000 3.014 133 T HA 0.055 4.404 4.350 -0.002 0.000 0.250 133 T C -0.105 174.396 174.700 -0.332 0.000 1.060 133 T CA 0.329 62.287 62.100 -0.238 0.000 1.040 133 T CB 0.127 68.758 68.868 -0.395 0.000 0.971 133 T HN 0.505 nan 8.240 nan 0.000 0.497 134 D N -1.526 118.742 120.400 -0.220 0.000 2.792 134 D HA 0.024 4.663 4.640 -0.002 0.000 0.335 134 D C -1.348 174.911 176.300 -0.068 0.000 1.353 134 D CA -0.868 52.974 54.000 -0.263 0.000 0.839 134 D CB 0.036 40.639 40.800 -0.328 0.000 1.396 134 D HN -0.002 nan 8.370 nan 0.000 0.479 135 W N 0.830 122.223 121.300 0.155 0.000 2.304 135 W HA 0.375 5.034 4.660 -0.002 0.000 0.313 135 W C 1.125 177.664 176.519 0.032 0.000 1.323 135 W CA -0.531 56.877 57.345 0.106 0.000 1.223 135 W CB 1.219 30.743 29.460 0.106 0.000 1.237 135 W HN 0.350 nan 8.180 nan 0.000 0.535 136 V N 0.141 120.174 119.914 0.198 0.000 3.346 136 V HA 0.227 4.346 4.120 -0.002 0.000 0.309 136 V C 0.338 176.534 176.094 0.169 0.000 1.457 136 V CA 0.117 62.510 62.300 0.155 0.000 1.069 136 V CB -0.145 31.740 31.823 0.103 0.000 0.944 136 V HN 0.556 nan 8.190 nan 0.000 0.449 137 N N 2.631 121.434 118.700 0.173 0.000 2.338 137 N HA 0.204 4.943 4.740 -0.002 0.000 0.251 137 N C -0.326 175.248 175.510 0.107 0.000 1.199 137 N CA 0.175 53.304 53.050 0.132 0.000 0.879 137 N CB 0.281 38.838 38.487 0.117 0.000 1.159 137 N HN 0.549 nan 8.380 nan 0.000 0.514 138 N N 1.364 120.130 118.700 0.110 0.000 2.754 138 N HA -0.132 4.607 4.740 -0.002 0.000 0.248 138 N C -0.462 175.069 175.510 0.035 0.000 1.093 138 N CA 0.818 53.910 53.050 0.069 0.000 0.699 138 N CB -1.105 37.413 38.487 0.052 0.000 1.016 138 N HN 0.488 nan 8.380 nan 0.000 0.552 139 E N 0.616 120.837 120.200 0.035 0.000 2.418 139 E HA 0.232 4.581 4.350 -0.002 0.000 0.261 139 E C 1.068 177.593 176.600 -0.125 0.000 1.070 139 E CA 0.112 56.483 56.400 -0.049 0.000 0.931 139 E CB 1.161 30.797 29.700 -0.107 0.000 0.954 139 E HN 0.343 nan 8.360 nan 0.000 0.439 140 L N 0.238 121.383 121.223 -0.130 0.000 2.347 140 L HA 0.345 4.683 4.340 -0.002 0.000 0.268 140 L C 0.319 177.080 176.870 -0.182 0.000 1.019 140 L CA -1.503 53.260 54.840 -0.128 0.000 0.806 140 L CB 0.802 42.816 42.059 -0.075 0.000 1.339 140 L HN 0.213 nan 8.230 nan 0.000 0.463 141 V N 1.061 120.885 119.914 -0.149 0.000 2.953 141 V HA 0.024 4.143 4.120 -0.002 0.000 0.304 141 V C 1.323 177.336 176.094 -0.135 0.000 1.138 141 V CA 1.803 64.012 62.300 -0.153 0.000 1.266 141 V CB 0.218 31.980 31.823 -0.103 0.000 0.923 141 V HN 1.067 nan 8.190 nan 0.000 0.505 142 G N 2.717 111.437 108.800 -0.134 0.000 2.212 142 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.266 142 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.266 142 G C 0.434 175.293 174.900 -0.068 0.000 0.978 142 G CA 0.265 45.316 45.100 -0.082 0.000 0.632 142 G HN 1.777 nan 8.290 nan 0.000 0.537 143 A N 0.201 122.941 122.820 -0.133 0.000 2.454 143 A HA 0.607 4.926 4.320 -0.002 0.000 0.260 143 A C 0.453 178.090 177.584 0.088 0.000 1.106 143 A CA 0.873 52.873 52.037 -0.062 0.000 0.780 143 A CB 0.462 19.367 19.000 -0.159 0.000 1.044 143 A HN 0.703 nan 8.150 nan 0.000 0.498 144 Q N 2.028 121.939 119.800 0.187 0.000 2.293 144 Q HA 0.543 4.881 4.340 -0.002 0.000 0.261 144 Q C -0.758 175.395 176.000 0.255 0.000 0.960 144 Q CA -0.515 55.450 55.803 0.270 0.000 0.882 144 Q CB 1.017 29.837 28.738 0.138 0.000 1.275 144 Q HN 0.747 nan 8.270 nan 0.000 0.445 145 K N 2.492 123.020 120.400 0.214 0.000 2.435 145 K HA 0.434 4.753 4.320 -0.002 0.000 0.251 145 K C -1.097 175.069 176.600 -0.722 0.000 0.954 145 K CA -0.877 55.210 56.287 -0.333 0.000 0.820 145 K CB 1.595 33.650 32.500 -0.742 0.000 1.292 145 K HN 0.436 nan 8.250 nan 0.000 0.436 146 R N 2.973 123.033 120.500 -0.733 0.000 2.202 146 R HA 0.296 4.635 4.340 -0.002 0.000 0.334 146 R C -1.206 174.528 176.300 -0.944 0.000 1.036 146 R CA -0.185 55.523 56.100 -0.655 0.000 0.878 146 R CB -0.193 29.877 30.300 -0.384 0.000 1.067 146 R HN 0.425 nan 8.270 nan 0.000 0.457 147 F N 3.405 123.105 119.950 -0.417 0.000 2.458 147 F HA 0.396 4.922 4.527 -0.002 0.000 0.330 147 F C -0.207 175.297 175.800 -0.493 0.000 1.082 147 F CA -0.768 57.025 58.000 -0.346 0.000 0.995 147 F CB 1.251 40.122 39.000 -0.215 0.000 1.170 147 F HN 0.320 nan 8.300 nan 0.000 0.478 148 Y N 1.441 121.778 120.300 0.062 0.000 2.363 148 Y HA 0.530 5.078 4.550 -0.002 0.000 0.325 148 Y C -0.727 175.197 175.900 0.040 0.000 0.984 148 Y CA -1.187 56.916 58.100 0.005 0.000 1.248 148 Y CB 1.475 39.896 38.460 -0.064 0.000 1.116 148 Y HN 0.206 nan 8.280 nan 0.000 0.470 149 V N 6.202 126.235 119.914 0.199 0.000 2.333 149 V HA 0.369 4.488 4.120 -0.002 0.000 0.274 149 V C -2.204 174.029 176.094 0.231 0.000 1.028 149 V CA -2.008 60.439 62.300 0.244 0.000 0.851 149 V CB 1.123 33.144 31.823 0.329 0.000 1.000 149 V HN 0.500 nan 8.190 nan 0.000 0.456 150 P HA 0.353 nan 4.420 nan 0.000 0.286 150 P C -0.551 176.753 177.300 0.007 0.000 1.269 150 P CA -0.320 62.837 63.100 0.095 0.000 0.787 150 P CB 1.447 33.184 31.700 0.060 0.000 0.920 151 L N 4.315 125.521 121.223 -0.029 0.000 2.418 151 L HA 0.352 4.691 4.340 -0.002 0.000 0.265 151 L C 1.486 178.109 176.870 -0.412 0.000 1.143 151 L CA -0.539 54.204 54.840 -0.162 0.000 0.809 151 L CB 0.486 42.503 42.059 -0.070 0.000 1.124 151 L HN 0.400 nan 8.230 nan 0.000 0.456 152 I N -1.774 118.428 120.570 -0.614 0.000 3.283 152 I HA 0.310 4.479 4.170 -0.002 0.000 0.342 152 I C -0.366 175.528 176.117 -0.371 0.000 1.510 152 I CA -0.398 60.556 61.300 -0.576 0.000 1.006 152 I CB -0.166 37.299 38.000 -0.891 0.000 1.596 152 I HN 0.241 nan 8.210 nan 0.000 0.509 153 F N 1.027 120.811 119.950 -0.278 0.000 2.375 153 F HA 0.275 4.801 4.527 -0.002 0.000 0.313 153 F C 1.686 177.261 175.800 -0.376 0.000 1.176 153 F CA -0.856 56.955 58.000 -0.316 0.000 1.142 153 F CB 0.505 39.153 39.000 -0.586 0.000 1.275 153 F HN 0.232 nan 8.300 nan 0.000 0.544 154 F N 0.351 120.392 119.950 0.152 0.000 2.115 154 F HA -0.296 4.230 4.527 -0.002 0.000 0.300 154 F C 1.711 177.566 175.800 0.092 0.000 1.092 154 F CA 1.165 59.234 58.000 0.115 0.000 1.245 154 F CB -1.736 37.369 39.000 0.174 0.000 0.995 154 F HN 0.331 nan 8.300 nan 0.000 0.481 155 F N -0.193 119.371 119.950 -0.643 0.000 2.780 155 F HA 0.309 4.835 4.527 -0.002 0.000 0.299 155 F C 1.469 177.147 175.800 -0.202 0.000 1.146 155 F CA 0.082 57.870 58.000 -0.353 0.000 1.428 155 F CB -1.026 37.637 39.000 -0.561 0.000 1.115 155 F HN -0.096 nan 8.300 nan 0.000 0.583 156 N N 0.749 119.004 118.700 -0.743 0.000 2.405 156 N HA -0.040 4.699 4.740 -0.002 0.000 0.175 156 N C 1.310 176.667 175.510 -0.254 0.000 1.051 156 N CA 0.679 53.421 53.050 -0.514 0.000 0.899 156 N CB -0.174 37.972 38.487 -0.568 0.000 1.000 156 N HN 0.576 nan 8.380 nan 0.000 0.451 157 Q N -0.235 119.456 119.800 -0.181 0.000 2.392 157 Q HA 0.155 4.494 4.340 -0.002 0.000 0.203 157 Q C -0.320 175.667 176.000 -0.022 0.000 0.917 157 Q CA 0.592 56.341 55.803 -0.090 0.000 0.939 157 Q CB 0.775 29.475 28.738 -0.063 0.000 1.063 157 Q HN 0.055 nan 8.270 nan 0.000 0.516 158 T N 0.954 115.511 114.554 0.005 0.000 3.295 158 T HA 0.142 4.491 4.350 -0.002 0.000 0.331 158 T C -2.440 172.286 174.700 0.043 0.000 1.142 158 T CA -0.942 61.180 62.100 0.038 0.000 1.078 158 T CB 2.189 71.110 68.868 0.089 0.000 1.150 158 T HN -0.163 nan 8.240 nan 0.000 0.465 159 P HA 0.006 nan 4.420 nan 0.000 0.226 159 P C 1.503 178.822 177.300 0.032 0.000 1.153 159 P CA 0.595 63.686 63.100 -0.016 0.000 0.777 159 P CB -0.079 31.572 31.700 -0.082 0.000 0.794 160 G N 0.002 108.845 108.800 0.072 0.000 2.598 160 G HA2 -0.073 3.886 3.960 -0.002 0.000 0.215 160 G HA3 -0.073 3.886 3.960 -0.002 0.000 0.215 160 G C 1.223 176.262 174.900 0.232 0.000 1.131 160 G CA 0.148 45.322 45.100 0.123 0.000 0.785 160 G HN 0.277 nan 8.290 nan 0.000 0.539 161 L N 0.824 122.197 121.223 0.250 0.000 3.066 161 L HA 0.422 4.760 4.340 -0.002 0.000 0.265 161 L C 1.196 178.215 176.870 0.247 0.000 1.232 161 L CA -0.741 54.324 54.840 0.375 0.000 1.031 161 L CB 0.514 42.835 42.059 0.436 0.000 1.379 161 L HN 0.117 nan 8.230 nan 0.000 0.563 162 A N 1.294 124.206 122.820 0.153 0.000 2.566 162 A HA 0.031 4.350 4.320 -0.002 0.000 0.245 162 A C 0.249 177.761 177.584 -0.120 0.000 1.056 162 A CA 0.073 52.126 52.037 0.027 0.000 0.757 162 A CB 0.137 19.111 19.000 -0.044 0.000 0.979 162 A HN 0.268 nan 8.150 nan 0.000 0.508 163 L N 6.323 127.402 121.223 -0.241 0.000 2.385 163 L HA 0.246 4.584 4.340 -0.002 0.000 0.281 163 L C -1.931 174.737 176.870 -0.337 0.000 1.106 163 L CA -1.497 53.091 54.840 -0.420 0.000 0.856 163 L CB 1.092 42.683 42.059 -0.780 0.000 1.186 163 L HN 0.457 nan 8.230 nan 0.000 0.453 164 P HA 0.073 nan 4.420 nan 0.000 0.271 164 P C 0.812 178.032 177.300 -0.134 0.000 1.380 164 P CA -0.225 62.762 63.100 -0.189 0.000 0.992 164 P CB 0.578 32.301 31.700 0.038 0.000 1.230 165 L N 3.800 124.925 121.223 -0.164 0.000 2.141 165 L HA -0.135 4.204 4.340 -0.002 0.000 0.209 165 L C 2.370 179.193 176.870 -0.078 0.000 1.094 165 L CA 1.278 56.051 54.840 -0.113 0.000 0.763 165 L CB -0.631 41.375 42.059 -0.088 0.000 0.908 165 L HN 0.314 nan 8.230 nan 0.000 0.437 166 I N -3.078 117.448 120.570 -0.073 0.000 3.001 166 I HA -0.030 4.138 4.170 -0.002 0.000 0.268 166 I C 2.042 178.162 176.117 0.004 0.000 1.267 166 I CA 1.004 62.282 61.300 -0.036 0.000 1.472 166 I CB -0.411 37.579 38.000 -0.017 0.000 1.089 166 I HN 0.057 nan 8.210 nan 0.000 0.468 167 A N 1.023 123.871 122.820 0.047 0.000 2.348 167 A HA 0.483 4.802 4.320 -0.002 0.000 0.224 167 A C 1.435 179.023 177.584 0.007 0.000 1.227 167 A CA -0.077 52.022 52.037 0.104 0.000 0.885 167 A CB -0.087 19.101 19.000 0.313 0.000 0.933 167 A HN 0.471 nan 8.150 nan 0.000 0.506 168 L N -0.169 121.024 121.223 -0.050 0.000 3.209 168 L HA 0.185 4.524 4.340 -0.002 0.000 0.279 168 L C 1.625 178.424 176.870 -0.118 0.000 1.301 168 L CA -0.020 54.781 54.840 -0.065 0.000 1.004 168 L CB 0.324 42.370 42.059 -0.021 0.000 1.402 168 L HN 0.553 nan 8.230 nan 0.000 0.577 169 Q N 0.292 119.926 119.800 -0.276 0.000 2.389 169 Q HA -0.205 4.134 4.340 -0.002 0.000 0.213 169 Q C 0.772 176.504 176.000 -0.445 0.000 0.989 169 Q CA 2.047 57.589 55.803 -0.436 0.000 0.891 169 Q CB 0.088 28.411 28.738 -0.692 0.000 0.923 169 Q HN 0.678 nan 8.270 nan 0.000 0.455 170 Y N -2.515 117.824 120.300 0.064 0.000 2.453 170 Y HA 0.221 4.770 4.550 -0.002 0.000 0.247 170 Y C -0.066 175.974 175.900 0.232 0.000 1.124 170 Y CA -0.870 57.296 58.100 0.110 0.000 1.243 170 Y CB 0.785 39.300 38.460 0.091 0.000 1.213 170 Y HN 0.058 nan 8.280 nan 0.000 0.523 171 H N 1.690 120.809 119.070 0.081 0.000 2.504 171 H HA 0.244 4.798 4.556 -0.002 0.000 0.322 171 H C -0.572 174.758 175.328 0.005 0.000 1.055 171 H CA -1.592 54.482 56.048 0.044 0.000 1.231 171 H CB 0.785 30.562 29.762 0.025 0.000 1.417 171 H HN 0.218 nan 8.280 nan 0.000 0.472 172 E N 1.843 122.061 120.200 0.029 0.000 2.259 172 E HA 0.388 4.736 4.350 -0.002 0.000 0.281 172 E C -0.868 175.716 176.600 -0.025 0.000 1.037 172 E CA -0.757 55.642 56.400 -0.001 0.000 0.854 172 E CB 0.883 30.577 29.700 -0.010 0.000 1.051 172 E HN 0.129 nan 8.360 nan 0.000 0.409 173 V N 4.217 124.106 119.914 -0.040 0.000 2.383 173 V HA 0.313 4.432 4.120 -0.002 0.000 0.275 173 V C 0.159 176.214 176.094 -0.066 0.000 1.036 173 V CA -0.551 61.703 62.300 -0.076 0.000 0.889 173 V CB 0.477 32.217 31.823 -0.138 0.000 0.985 173 V HN 0.641 nan 8.190 nan 0.000 0.459 174 K N 4.607 124.977 120.400 -0.048 0.000 2.400 174 K HA 0.814 5.133 4.320 -0.002 0.000 0.246 174 K C -1.471 175.081 176.600 -0.081 0.000 0.995 174 K CA -0.917 55.326 56.287 -0.074 0.000 0.840 174 K CB 2.773 35.245 32.500 -0.047 0.000 1.293 174 K HN 0.406 nan 8.250 nan 0.000 0.445 175 L N 1.976 123.074 121.223 -0.208 0.000 2.436 175 L HA 0.446 4.785 4.340 -0.002 0.000 0.268 175 L C -1.637 174.966 176.870 -0.444 0.000 0.974 175 L CA -0.883 53.807 54.840 -0.250 0.000 0.826 175 L CB 1.413 43.340 42.059 -0.220 0.000 1.291 175 L HN 0.551 nan 8.230 nan 0.000 0.406 176 Y N 2.671 122.735 120.300 -0.392 0.000 2.338 176 Y HA 0.504 5.053 4.550 -0.002 0.000 0.328 176 Y C -0.460 175.239 175.900 -0.336 0.000 0.965 176 Y CA -0.702 57.260 58.100 -0.231 0.000 1.208 176 Y CB 1.098 39.490 38.460 -0.113 0.000 1.132 176 Y HN 0.232 nan 8.280 nan 0.000 0.469 177 F N 0.917 120.943 119.950 0.127 0.000 2.432 177 F HA 0.672 5.198 4.527 -0.002 0.000 0.329 177 F C 0.339 176.203 175.800 0.107 0.000 1.076 177 F CA -0.810 57.254 58.000 0.108 0.000 1.018 177 F CB 1.755 40.808 39.000 0.088 0.000 1.201 177 F HN 0.178 nan 8.300 nan 0.000 0.489 178 T N 3.843 118.560 114.554 0.272 0.000 2.930 178 T HA 0.443 4.792 4.350 -0.002 0.000 0.313 178 T C -0.442 174.361 174.700 0.172 0.000 1.019 178 T CA -0.597 61.619 62.100 0.193 0.000 1.004 178 T CB 0.410 69.370 68.868 0.153 0.000 0.987 178 T HN 0.304 nan 8.240 nan 0.000 0.456 179 L N 2.442 123.754 121.223 0.148 0.000 2.397 179 L HA 0.605 4.943 4.340 -0.002 0.000 0.271 179 L C 1.110 178.040 176.870 0.101 0.000 1.148 179 L CA -0.952 53.944 54.840 0.094 0.000 0.825 179 L CB 0.451 42.531 42.059 0.035 0.000 1.117 179 L HN 0.640 nan 8.230 nan 0.000 0.456 180 A N 1.908 124.774 122.820 0.076 0.000 2.483 180 A HA 0.221 4.540 4.320 -0.002 0.000 0.238 180 A C 1.117 178.811 177.584 0.183 0.000 1.070 180 A CA 0.183 52.273 52.037 0.089 0.000 0.770 180 A CB 0.341 19.349 19.000 0.013 0.000 1.008 180 A HN 0.903 nan 8.150 nan 0.000 0.497 181 S N 0.747 116.515 115.700 0.114 0.000 2.501 181 S HA 0.097 4.566 4.470 -0.002 0.000 0.220 181 S C 0.398 174.978 174.600 -0.033 0.000 0.997 181 S CA 0.373 58.645 58.200 0.120 0.000 0.919 181 S CB -0.024 63.221 63.200 0.074 0.000 0.778 181 S HN 0.732 nan 8.310 nan 0.000 0.523 182 Q N 1.143 120.867 119.800 -0.126 0.000 2.350 182 Q HA 0.531 4.869 4.340 -0.002 0.000 0.255 182 Q C -1.906 173.987 176.000 -0.178 0.000 0.951 182 Q CA -0.428 55.216 55.803 -0.265 0.000 0.751 182 Q CB 2.468 30.827 28.738 -0.632 0.000 1.296 182 Q HN 0.117 nan 8.270 nan 0.000 0.453 183 V N 2.427 122.246 119.914 -0.158 0.000 2.357 183 V HA 0.167 4.286 4.120 -0.002 0.000 0.284 183 V C 0.029 176.070 176.094 -0.088 0.000 1.018 183 V CA -0.750 61.483 62.300 -0.112 0.000 0.841 183 V CB 1.537 33.330 31.823 -0.050 0.000 0.991 183 V HN 0.681 nan 8.190 nan 0.000 0.437 184 Q N 3.754 123.498 119.800 -0.094 0.000 2.286 184 Q HA 0.378 4.717 4.340 -0.002 0.000 0.290 184 Q C 1.138 177.055 176.000 -0.139 0.000 1.049 184 Q CA 1.455 57.170 55.803 -0.147 0.000 0.923 184 Q CB 0.445 29.055 28.738 -0.213 0.000 1.183 184 Q HN 1.248 nan 8.270 nan 0.000 0.383 185 G N 1.954 110.650 108.800 -0.173 0.000 2.159 185 G HA2 -0.232 3.726 3.960 -0.002 0.000 0.256 185 G HA3 -0.232 3.726 3.960 -0.002 0.000 0.256 185 G C 0.240 175.082 174.900 -0.096 0.000 0.977 185 G CA 0.263 45.277 45.100 -0.142 0.000 0.652 185 G HN 0.622 nan 8.290 nan 0.000 0.531 186 V N -0.783 119.096 119.914 -0.057 0.000 3.658 186 V HA 0.235 4.354 4.120 -0.002 0.000 0.197 186 V C 1.944 177.993 176.094 -0.075 0.000 1.295 186 V CA 1.333 63.632 62.300 -0.000 0.000 1.298 186 V CB -0.141 31.756 31.823 0.123 0.000 1.347 186 V HN 0.215 nan 8.190 nan 0.000 0.548 187 N N -1.265 117.336 118.700 -0.165 0.000 2.197 187 N HA 0.049 4.787 4.740 -0.002 0.000 0.184 187 N C 0.047 175.395 175.510 -0.271 0.000 1.030 187 N CA 1.275 54.117 53.050 -0.347 0.000 0.851 187 N CB 0.097 38.216 38.487 -0.614 0.000 1.003 187 N HN 0.457 nan 8.380 nan 0.000 0.430 188 Y N -1.457 118.697 120.300 -0.244 0.000 2.773 188 Y HA 0.473 5.022 4.550 -0.002 0.000 0.323 188 Y C -0.531 175.266 175.900 -0.173 0.000 1.183 188 Y CA -1.308 56.684 58.100 -0.180 0.000 1.144 188 Y CB 0.999 39.364 38.460 -0.159 0.000 1.340 188 Y HN -0.120 nan 8.280 nan 0.000 0.531 189 N N 0.307 119.032 118.700 0.041 0.000 2.707 189 N HA 0.455 5.194 4.740 -0.002 0.000 0.249 189 N C -0.211 175.302 175.510 0.005 0.000 1.299 189 N CA 0.640 53.656 53.050 -0.057 0.000 0.769 189 N CB 0.492 38.942 38.487 -0.062 0.000 1.236 189 N HN 0.990 nan 8.380 nan 0.000 0.524 190 G N 1.451 110.248 108.800 -0.006 0.000 2.520 190 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.248 190 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.248 190 G C 0.691 175.629 174.900 0.062 0.000 1.161 190 G CA 0.292 45.428 45.100 0.060 0.000 0.946 190 G HN 0.999 nan 8.290 nan 0.000 0.565 191 S N -0.398 115.346 115.700 0.074 0.000 2.548 191 S HA 0.466 4.935 4.470 -0.002 0.000 0.215 191 S C 0.934 175.663 174.600 0.214 0.000 0.976 191 S CA 1.155 59.399 58.200 0.074 0.000 0.908 191 S CB 0.340 63.566 63.200 0.042 0.000 0.781 191 S HN 1.153 nan 8.310 nan 0.000 0.519 192 S N 2.534 118.347 115.700 0.188 0.000 2.465 192 S HA 0.671 5.140 4.470 -0.002 0.000 0.279 192 S C 0.269 174.901 174.600 0.052 0.000 1.201 192 S CA -0.678 57.599 58.200 0.127 0.000 1.053 192 S CB 1.027 64.250 63.200 0.037 0.000 0.953 192 S HN 0.628 nan 8.310 nan 0.000 0.488 193 A N 3.921 126.615 122.820 -0.209 0.000 2.440 193 A HA 0.411 4.730 4.320 -0.002 0.000 0.251 193 A C 0.120 177.450 177.584 -0.423 0.000 1.089 193 A CA -0.352 51.187 52.037 -0.830 0.000 0.779 193 A CB -0.179 18.309 19.000 -0.853 0.000 1.022 193 A HN 0.859 nan 8.150 nan 0.000 0.492 194 I N 2.553 122.870 120.570 -0.422 0.000 2.337 194 I HA 0.269 4.437 4.170 -0.002 0.000 0.291 194 I C 1.046 177.040 176.117 -0.206 0.000 1.046 194 I CA -0.052 61.105 61.300 -0.238 0.000 1.324 194 I CB 0.963 38.847 38.000 -0.194 0.000 1.409 194 I HN 0.753 nan 8.210 nan 0.000 0.494 195 A N 4.773 127.506 122.820 -0.145 0.000 2.498 195 A HA 0.452 4.770 4.320 -0.002 0.000 0.239 195 A C 1.363 178.898 177.584 -0.082 0.000 1.068 195 A CA 0.585 52.557 52.037 -0.108 0.000 0.766 195 A CB -0.020 18.933 19.000 -0.078 0.000 1.003 195 A HN 1.182 nan 8.150 nan 0.000 0.497 196 G N 0.579 109.342 108.800 -0.062 0.000 2.245 196 G HA2 0.086 4.045 3.960 -0.002 0.000 0.264 196 G HA3 0.086 4.045 3.960 -0.002 0.000 0.264 196 G C 0.780 175.665 174.900 -0.025 0.000 0.985 196 G CA 0.625 45.703 45.100 -0.036 0.000 0.625 196 G HN 2.387 nan 8.290 nan 0.000 0.536 197 A N 0.577 123.368 122.820 -0.049 0.000 2.572 197 A HA 0.524 4.842 4.320 -0.002 0.000 0.256 197 A C 1.191 178.810 177.584 0.059 0.000 1.041 197 A CA 1.463 53.488 52.037 -0.021 0.000 0.790 197 A CB -0.244 18.698 19.000 -0.098 0.000 0.947 197 A HN 2.189 nan 8.150 nan 0.000 0.518 198 A N 3.713 126.588 122.820 0.093 0.000 2.386 198 A HA 0.514 4.833 4.320 -0.002 0.000 0.248 198 A C 0.778 178.486 177.584 0.208 0.000 1.082 198 A CA -0.362 51.745 52.037 0.117 0.000 0.789 198 A CB 0.181 19.236 19.000 0.092 0.000 1.025 198 A HN 1.073 nan 8.150 nan 0.000 0.490 199 Q N 1.861 121.745 119.800 0.140 0.000 2.368 199 Q HA 0.455 4.794 4.340 -0.002 0.000 0.237 199 Q C -2.668 173.281 176.000 -0.085 0.000 0.987 199 Q CA -1.861 53.978 55.803 0.060 0.000 0.896 199 Q CB -0.289 28.458 28.738 0.016 0.000 1.241 199 Q HN 0.509 nan 8.270 nan 0.000 0.485 200 P HA 0.189 nan 4.420 nan 0.000 0.282 200 P C -0.776 176.484 177.300 -0.068 0.000 1.249 200 P CA -0.309 62.651 63.100 -0.234 0.000 0.806 200 P CB 0.965 32.356 31.700 -0.514 0.000 0.984 201 T N 3.173 117.751 114.554 0.040 0.000 2.837 201 T HA 0.548 4.897 4.350 -0.002 0.000 0.285 201 T C -0.032 174.715 174.700 0.077 0.000 0.984 201 T CA -0.250 61.872 62.100 0.036 0.000 1.049 201 T CB 0.351 69.235 68.868 0.027 0.000 0.947 201 T HN 0.426 nan 8.240 nan 0.000 0.472 202 M N 2.629 122.213 119.600 -0.026 0.000 2.518 202 M HA 0.669 5.147 4.480 -0.002 0.000 0.300 202 M C -1.193 174.978 176.300 -0.215 0.000 1.175 202 M CA -0.482 54.703 55.300 -0.191 0.000 0.890 202 M CB 2.025 34.508 32.600 -0.195 0.000 1.710 202 M HN 0.592 nan 8.290 nan 0.000 0.453 203 S N 2.517 118.043 115.700 -0.290 0.000 2.546 203 S HA 0.753 5.221 4.470 -0.002 0.000 0.272 203 S C -1.898 172.605 174.600 -0.161 0.000 1.140 203 S CA -0.587 57.524 58.200 -0.148 0.000 0.920 203 S CB 1.841 65.088 63.200 0.079 0.000 1.083 203 S HN 0.561 nan 8.310 nan 0.000 0.476 204 V N 4.381 124.171 119.914 -0.207 0.000 2.409 204 V HA 0.601 4.720 4.120 -0.002 0.000 0.291 204 V C -1.215 174.783 176.094 -0.159 0.000 1.020 204 V CA -0.475 61.745 62.300 -0.134 0.000 0.848 204 V CB 1.176 32.906 31.823 -0.156 0.000 0.990 204 V HN 0.883 nan 8.190 nan 0.000 0.430 205 W N 3.225 124.516 121.300 -0.016 0.000 2.702 205 W HA 0.764 5.423 4.660 -0.002 0.000 0.331 205 W C -0.703 175.837 176.519 0.036 0.000 1.049 205 W CA -0.665 56.698 57.345 0.031 0.000 1.230 205 W CB 2.069 31.552 29.460 0.039 0.000 1.408 205 W HN 0.297 nan 8.180 nan 0.000 0.492 206 V N 3.114 123.168 119.914 0.234 0.000 2.540 206 V HA 0.298 4.417 4.120 -0.002 0.000 0.302 206 V C -0.765 175.338 176.094 0.016 0.000 1.035 206 V CA -0.963 61.361 62.300 0.040 0.000 0.873 206 V CB 1.784 33.511 31.823 -0.159 0.000 0.992 206 V HN 0.318 nan 8.190 nan 0.000 0.428 207 D N 3.284 123.648 120.400 -0.061 0.000 2.280 207 D HA 0.458 5.096 4.640 -0.002 0.000 0.243 207 D C -0.889 175.312 176.300 -0.164 0.000 1.129 207 D CA 0.290 54.297 54.000 0.013 0.000 0.848 207 D CB 0.828 41.649 40.800 0.036 0.000 1.107 207 D HN 0.404 nan 8.370 nan 0.000 0.471 208 Y N 1.330 121.636 120.300 0.010 0.000 2.377 208 Y HA 0.467 5.016 4.550 -0.002 0.000 0.339 208 Y C 0.054 175.841 175.900 -0.189 0.000 1.011 208 Y CA -1.101 56.896 58.100 -0.171 0.000 1.093 208 Y CB 1.089 39.335 38.460 -0.356 0.000 1.201 208 Y HN 0.160 nan 8.280 nan 0.000 0.455 209 I N 3.753 124.252 120.570 -0.119 0.000 2.354 209 I HA 0.268 4.437 4.170 -0.002 0.000 0.292 209 I C -1.017 174.988 176.117 -0.188 0.000 0.989 209 I CA -0.623 60.659 61.300 -0.029 0.000 1.188 209 I CB 0.246 38.199 38.000 -0.080 0.000 1.342 209 I HN 0.308 nan 8.210 nan 0.000 0.457 210 F N 6.482 126.519 119.950 0.146 0.000 2.385 210 F HA 0.512 5.038 4.527 -0.002 0.000 0.360 210 F C 0.192 176.068 175.800 0.126 0.000 1.122 210 F CA -0.467 57.592 58.000 0.098 0.000 1.090 210 F CB 0.591 39.640 39.000 0.081 0.000 1.150 210 F HN 0.172 nan 8.300 nan 0.000 0.472 211 L N 1.669 123.007 121.223 0.191 0.000 2.400 211 L HA 0.432 4.771 4.340 -0.002 0.000 0.264 211 L C -0.130 176.847 176.870 0.180 0.000 1.061 211 L CA -0.939 54.009 54.840 0.179 0.000 0.799 211 L CB 1.080 43.189 42.059 0.083 0.000 1.240 211 L HN 0.467 nan 8.230 nan 0.000 0.461 212 D N -1.003 119.501 120.400 0.174 0.000 2.312 212 D HA 0.119 4.758 4.640 -0.002 0.000 0.248 212 D C 0.942 177.315 176.300 0.122 0.000 1.086 212 D CA -0.191 53.891 54.000 0.137 0.000 0.948 212 D CB 1.524 42.402 40.800 0.129 0.000 1.162 212 D HN 0.514 nan 8.370 nan 0.000 0.446 213 T N 1.111 115.722 114.554 0.096 0.000 2.594 213 T HA -0.313 4.036 4.350 -0.002 0.000 0.266 213 T C 1.567 176.324 174.700 0.095 0.000 1.070 213 T CA 2.036 64.187 62.100 0.086 0.000 1.166 213 T CB -0.443 68.464 68.868 0.064 0.000 0.862 213 T HN 0.473 nan 8.240 nan 0.000 0.436 214 Q N 0.903 120.757 119.800 0.091 0.000 2.012 214 Q HA -0.185 4.154 4.340 -0.002 0.000 0.211 214 Q C 2.161 178.233 176.000 0.119 0.000 1.009 214 Q CA 2.363 58.220 55.803 0.090 0.000 0.866 214 Q CB -0.379 28.408 28.738 0.082 0.000 0.945 214 Q HN 0.688 nan 8.270 nan 0.000 0.414 215 E N -1.022 119.273 120.200 0.158 0.000 2.274 215 E HA -0.144 4.205 4.350 -0.002 0.000 0.194 215 E C 1.849 178.639 176.600 0.317 0.000 0.996 215 E CA 0.401 56.943 56.400 0.236 0.000 0.840 215 E CB 0.096 29.965 29.700 0.281 0.000 0.772 215 E HN 0.263 nan 8.360 nan 0.000 0.491 216 R N -0.511 120.121 120.500 0.220 0.000 2.075 216 R HA -0.046 4.293 4.340 -0.002 0.000 0.232 216 R C 2.320 178.737 176.300 0.195 0.000 1.126 216 R CA 1.721 57.939 56.100 0.197 0.000 0.963 216 R CB -0.311 30.064 30.300 0.124 0.000 0.858 216 R HN 0.097 nan 8.270 nan 0.000 0.435 217 T N 0.794 115.435 114.554 0.145 0.000 2.833 217 T HA -0.081 4.268 4.350 -0.002 0.000 0.269 217 T C 1.715 176.482 174.700 0.112 0.000 1.054 217 T CA 1.162 63.327 62.100 0.109 0.000 1.135 217 T CB -0.053 68.861 68.868 0.077 0.000 0.869 217 T HN 0.290 nan 8.240 nan 0.000 0.466 218 R N -0.209 120.369 120.500 0.130 0.000 2.093 218 R HA 0.126 4.465 4.340 -0.002 0.000 0.224 218 R C 1.986 178.360 176.300 0.124 0.000 1.101 218 R CA 0.894 57.041 56.100 0.079 0.000 0.979 218 R CB -0.395 29.927 30.300 0.036 0.000 0.877 218 R HN 0.339 nan 8.270 nan 0.000 0.441 219 F N 0.672 120.726 119.950 0.173 0.000 2.502 219 F HA -0.041 4.485 4.527 -0.002 0.000 0.298 219 F C 2.228 178.189 175.800 0.268 0.000 1.111 219 F CA 0.990 59.162 58.000 0.286 0.000 1.445 219 F CB 0.168 39.233 39.000 0.109 0.000 1.081 219 F HN 0.070 nan 8.300 nan 0.000 0.558 220 A N -1.618 121.374 122.820 0.288 0.000 2.197 220 A HA 0.049 4.368 4.320 -0.002 0.000 0.210 220 A C 2.032 179.661 177.584 0.076 0.000 1.180 220 A CA 0.230 52.362 52.037 0.159 0.000 0.846 220 A CB 0.010 19.076 19.000 0.110 0.000 0.884 220 A HN 0.178 nan 8.150 nan 0.000 0.487 221 Q N -0.209 119.622 119.800 0.052 0.000 2.178 221 Q HA 0.236 4.575 4.340 -0.002 0.000 0.195 221 Q C 0.535 176.489 176.000 -0.077 0.000 0.960 221 Q CA 0.551 56.351 55.803 -0.005 0.000 0.843 221 Q CB -0.148 28.591 28.738 0.001 0.000 0.927 221 Q HN 0.601 nan 8.270 nan 0.000 0.487 222 L N 1.944 123.077 121.223 -0.151 0.000 2.439 222 L HA 0.313 4.652 4.340 -0.002 0.000 0.261 222 L C -2.105 174.450 176.870 -0.526 0.000 1.153 222 L CA -1.949 52.722 54.840 -0.281 0.000 0.808 222 L CB -0.237 41.660 42.059 -0.271 0.000 1.126 222 L HN -0.071 nan 8.230 nan 0.000 0.460 223 P HA 0.253 nan 4.420 nan 0.000 0.278 223 P C -1.172 175.830 177.300 -0.498 0.000 1.238 223 P CA -0.119 62.767 63.100 -0.357 0.000 0.794 223 P CB 0.671 32.264 31.700 -0.177 0.000 0.955 224 H N 0.904 119.955 119.070 -0.033 0.000 2.637 224 H HA 0.433 4.988 4.556 -0.002 0.000 0.363 224 H C -0.469 174.825 175.328 -0.056 0.000 1.131 224 H CA -0.409 55.592 56.048 -0.077 0.000 1.183 224 H CB 2.031 31.839 29.762 0.076 0.000 1.637 224 H HN 0.437 nan 8.280 nan 0.000 0.531 225 E N 2.250 122.408 120.200 -0.068 0.000 2.244 225 E HA 0.258 4.607 4.350 -0.002 0.000 0.260 225 E C -1.179 175.303 176.600 -0.196 0.000 0.884 225 E CA -0.518 55.854 56.400 -0.047 0.000 0.777 225 E CB 1.896 31.566 29.700 -0.051 0.000 1.197 225 E HN 0.389 nan 8.360 nan 0.000 0.416 226 Y N 1.554 121.860 120.300 0.010 0.000 2.377 226 Y HA 0.264 4.813 4.550 -0.002 0.000 0.339 226 Y C -0.051 175.829 175.900 -0.034 0.000 1.011 226 Y CA -0.943 57.154 58.100 -0.004 0.000 1.093 226 Y CB 1.370 39.822 38.460 -0.014 0.000 1.201 226 Y HN 0.346 nan 8.280 nan 0.000 0.455 227 L N 6.993 128.288 121.223 0.119 0.000 2.270 227 L HA 0.378 4.717 4.340 -0.002 0.000 0.286 227 L C -0.699 176.255 176.870 0.140 0.000 1.059 227 L CA -0.336 54.560 54.840 0.094 0.000 0.839 227 L CB -0.519 41.564 42.059 0.039 0.000 1.221 227 L HN 0.654 nan 8.230 nan 0.000 0.431 228 I N 1.997 122.587 120.570 0.033 0.000 3.205 228 I HA 0.594 4.762 4.170 -0.002 0.000 0.310 228 I C -0.464 175.676 176.117 0.039 0.000 1.089 228 I CA -0.693 60.570 61.300 -0.062 0.000 1.023 228 I CB 1.785 39.343 38.000 -0.737 0.000 1.269 228 I HN 0.505 nan 8.210 nan 0.000 0.512 229 E N 0.694 120.911 120.200 0.029 0.000 2.249 229 E HA 0.620 4.969 4.350 -0.002 0.000 0.263 229 E C -1.143 175.471 176.600 0.024 0.000 0.950 229 E CA -0.716 55.641 56.400 -0.073 0.000 0.827 229 E CB 2.203 31.812 29.700 -0.151 0.000 1.220 229 E HN 0.539 nan 8.360 nan 0.000 0.411 230 Q N 0.661 120.437 119.800 -0.041 0.000 2.456 230 Q HA 0.460 4.799 4.340 -0.002 0.000 0.284 230 Q C -1.501 174.471 176.000 -0.047 0.000 1.061 230 Q CA -0.870 54.954 55.803 0.036 0.000 0.799 230 Q CB 2.381 31.133 28.738 0.024 0.000 1.445 230 Q HN 0.266 nan 8.270 nan 0.000 0.411 231 L N 1.323 122.556 121.223 0.017 0.000 2.334 231 L HA 0.533 4.872 4.340 -0.002 0.000 0.276 231 L C -1.322 175.557 176.870 0.016 0.000 1.014 231 L CA -0.289 54.472 54.840 -0.132 0.000 0.815 231 L CB 1.793 43.713 42.059 -0.232 0.000 1.268 231 L HN 0.784 nan 8.230 nan 0.000 0.428 232 Q N 3.969 123.752 119.800 -0.028 0.000 2.356 232 Q HA 0.552 4.890 4.340 -0.002 0.000 0.270 232 Q C -1.732 174.448 176.000 0.298 0.000 1.058 232 Q CA -0.485 55.398 55.803 0.133 0.000 0.802 232 Q CB 3.271 32.034 28.738 0.042 0.000 1.303 232 Q HN 0.521 nan 8.270 nan 0.000 0.444 233 F N -0.054 119.987 119.950 0.152 0.000 2.686 233 F HA 0.700 5.226 4.527 -0.002 0.000 0.311 233 F C -1.653 174.117 175.800 -0.050 0.000 1.128 233 F CA -0.318 57.685 58.000 0.006 0.000 0.946 233 F CB 2.321 41.256 39.000 -0.108 0.000 1.336 233 F HN 0.443 nan 8.300 nan 0.000 0.457 234 T N 1.839 115.437 114.554 -1.594 0.000 3.486 234 T HA 0.505 4.854 4.350 -0.002 0.000 0.375 234 T C -0.892 173.035 174.700 -1.288 0.000 1.459 234 T CA -0.372 60.958 62.100 -1.283 0.000 1.151 234 T CB 1.360 69.883 68.868 -0.574 0.000 1.336 234 T HN 0.976 nan 8.240 nan 0.000 0.477 235 G N 1.920 110.180 108.800 -0.900 0.000 2.338 235 G HA2 0.534 4.493 3.960 -0.002 0.000 0.295 235 G HA3 0.534 4.493 3.960 -0.002 0.000 0.295 235 G C -0.236 174.569 174.900 -0.159 0.000 1.132 235 G CA -0.220 44.690 45.100 -0.316 0.000 0.922 235 G HN 0.635 nan 8.290 nan 0.000 0.427 236 S N 1.013 116.663 115.700 -0.083 0.000 2.681 236 S HA 0.485 4.954 4.470 -0.002 0.000 0.299 236 S C -0.436 174.184 174.600 0.034 0.000 1.113 236 S CA -0.738 57.437 58.200 -0.041 0.000 1.013 236 S CB 1.812 64.981 63.200 -0.052 0.000 1.076 236 S HN 0.563 nan 8.310 nan 0.000 0.534 237 E N 2.086 122.311 120.200 0.041 0.000 2.113 237 E HA 0.311 4.660 4.350 -0.002 0.000 0.273 237 E C -0.396 176.263 176.600 0.099 0.000 0.924 237 E CA -0.236 56.204 56.400 0.067 0.000 0.764 237 E CB 1.388 31.110 29.700 0.037 0.000 1.104 237 E HN 0.450 nan 8.360 nan 0.000 0.406 238 T N 1.497 116.135 114.554 0.139 0.000 2.813 238 T HA 0.408 4.757 4.350 -0.002 0.000 0.297 238 T C 0.120 174.786 174.700 -0.057 0.000 1.036 238 T CA -0.233 61.943 62.100 0.125 0.000 1.044 238 T CB 0.731 69.712 68.868 0.189 0.000 0.993 238 T HN 0.452 nan 8.240 nan 0.000 0.535 239 A N 2.147 124.821 122.820 -0.243 0.000 3.266 239 A HA 0.500 4.818 4.320 -0.002 0.000 0.310 239 A C 0.456 177.769 177.584 -0.452 0.000 1.066 239 A CA -0.864 51.037 52.037 -0.225 0.000 0.839 239 A CB 0.009 18.979 19.000 -0.050 0.000 1.192 239 A HN 0.831 nan 8.150 nan 0.000 0.496 240 T N 0.713 114.912 114.554 -0.591 0.000 2.884 240 T HA 0.508 4.857 4.350 -0.002 0.000 0.298 240 T C -2.186 172.395 174.700 -0.199 0.000 0.998 240 T CA -1.529 60.245 62.100 -0.543 0.000 1.124 240 T CB 0.643 69.238 68.868 -0.454 0.000 0.931 240 T HN 0.359 nan 8.240 nan 0.000 0.531 241 P HA 0.169 nan 4.420 nan 0.000 0.269 241 P C 0.701 177.986 177.300 -0.025 0.000 1.252 241 P CA -0.268 62.818 63.100 -0.024 0.000 0.780 241 P CB 0.756 32.470 31.700 0.024 0.000 0.829 242 S N 2.345 118.029 115.700 -0.027 0.000 2.440 242 S HA 0.049 4.518 4.470 -0.002 0.000 0.240 242 S C 1.052 175.647 174.600 -0.009 0.000 1.014 242 S CA 1.419 59.607 58.200 -0.020 0.000 0.980 242 S CB -0.331 62.859 63.200 -0.017 0.000 0.775 242 S HN 0.892 nan 8.310 nan 0.000 0.499 243 A N -1.392 121.426 122.820 -0.003 0.000 2.395 243 A HA 0.468 4.787 4.320 -0.002 0.000 0.297 243 A C 0.759 178.346 177.584 0.006 0.000 0.966 243 A CA -0.166 51.873 52.037 0.003 0.000 0.570 243 A CB -0.844 18.157 19.000 0.001 0.000 1.447 243 A HN 0.258 nan 8.150 nan 0.000 0.511 244 T N -1.113 113.445 114.554 0.007 0.000 8.545 244 T HA -0.212 4.137 4.350 -0.002 0.000 0.372 244 T C 0.581 175.288 174.700 0.011 0.000 1.696 244 T CA 2.842 64.947 62.100 0.008 0.000 2.567 244 T CB -1.442 67.430 68.868 0.006 0.000 2.873 244 T HN 2.170 nan 8.240 nan 0.000 1.271 245 T N 0.093 114.655 114.554 0.014 0.000 2.868 245 T HA 0.499 4.848 4.350 -0.002 0.000 0.306 245 T C -2.021 172.697 174.700 0.030 0.000 1.224 245 T CA -0.747 61.364 62.100 0.019 0.000 1.012 245 T CB 1.871 70.749 68.868 0.017 0.000 1.221 245 T HN 0.161 nan 8.240 nan 0.000 0.499 246 Q N 1.967 121.790 119.800 0.038 0.000 2.357 246 Q HA 0.644 4.983 4.340 -0.002 0.000 0.266 246 Q C -0.232 175.815 176.000 0.078 0.000 1.021 246 Q CA -0.789 55.050 55.803 0.059 0.000 0.784 246 Q CB 1.857 30.621 28.738 0.043 0.000 1.243 246 Q HN 0.802 nan 8.270 nan 0.000 0.465 247 A N 2.336 125.236 122.820 0.134 0.000 2.310 247 A HA 0.659 4.978 4.320 -0.002 0.000 0.260 247 A C 0.142 177.846 177.584 0.200 0.000 1.112 247 A CA -0.022 52.117 52.037 0.170 0.000 0.804 247 A CB 0.622 19.732 19.000 0.183 0.000 1.081 247 A HN 0.764 nan 8.150 nan 0.000 0.499 248 S N -1.129 114.664 115.700 0.155 0.000 2.588 248 S HA 0.708 5.176 4.470 -0.002 0.000 0.269 248 S C -1.065 173.570 174.600 0.058 0.000 1.157 248 S CA -0.765 57.449 58.200 0.023 0.000 0.824 248 S CB 1.331 64.513 63.200 -0.030 0.000 1.126 248 S HN 0.863 nan 8.310 nan 0.000 0.464 249 Q N 0.300 120.086 119.800 -0.023 0.000 2.707 249 Q HA 0.552 4.891 4.340 -0.002 0.000 0.307 249 Q C -1.701 174.264 176.000 -0.058 0.000 0.934 249 Q CA -1.171 54.636 55.803 0.006 0.000 0.753 249 Q CB 1.593 30.384 28.738 0.089 0.000 1.478 249 Q HN 0.715 nan 8.270 nan 0.000 0.458 250 N N 1.078 119.746 118.700 -0.053 0.000 2.710 250 N HA 0.275 5.014 4.740 -0.002 0.000 0.244 250 N C -1.534 173.924 175.510 -0.086 0.000 1.321 250 N CA -0.142 52.857 53.050 -0.085 0.000 0.758 250 N CB 1.033 39.474 38.487 -0.077 0.000 1.284 250 N HN 0.426 nan 8.380 nan 0.000 0.530 251 I N 1.565 122.072 120.570 -0.105 0.000 2.436 251 I HA 0.065 4.234 4.170 -0.002 0.000 0.289 251 I C 1.147 177.181 176.117 -0.138 0.000 1.083 251 I CA -0.179 61.051 61.300 -0.117 0.000 1.372 251 I CB 0.116 38.036 38.000 -0.134 0.000 1.408 251 I HN 0.082 nan 8.210 nan 0.000 0.516 252 R N 7.344 127.766 120.500 -0.130 0.000 2.309 252 R HA 0.282 4.621 4.340 -0.002 0.000 0.331 252 R C -0.865 175.319 176.300 -0.194 0.000 1.116 252 R CA -0.006 56.014 56.100 -0.134 0.000 0.970 252 R CB -0.373 29.859 30.300 -0.113 0.000 1.024 252 R HN 0.572 nan 8.270 nan 0.000 0.472 253 L N 3.607 124.709 121.223 -0.201 0.000 2.456 253 L HA 0.159 4.497 4.340 -0.002 0.000 0.272 253 L C 0.861 177.487 176.870 -0.406 0.000 1.189 253 L CA 0.079 54.687 54.840 -0.387 0.000 0.846 253 L CB 0.420 42.371 42.059 -0.179 0.000 1.111 253 L HN 0.656 nan 8.230 nan 0.000 0.475 254 N N 3.535 121.812 118.700 -0.705 0.000 2.844 254 N HA 0.339 5.078 4.740 -0.002 0.000 0.268 254 N C -1.208 174.055 175.510 -0.413 0.000 1.574 254 N CA -0.156 52.647 53.050 -0.412 0.000 0.838 254 N CB 0.372 38.680 38.487 -0.299 0.000 1.177 254 N HN 0.382 nan 8.380 nan 0.000 0.495 255 F N 0.210 120.153 119.950 -0.013 0.000 2.572 255 F HA 0.542 5.068 4.527 -0.002 0.000 0.342 255 F C 0.675 176.453 175.800 -0.037 0.000 1.064 255 F CA -0.975 56.948 58.000 -0.129 0.000 1.008 255 F CB 1.576 40.279 39.000 -0.496 0.000 1.303 255 F HN 0.075 nan 8.300 nan 0.000 0.492 256 N N -1.417 117.341 118.700 0.097 0.000 2.972 256 N HA 0.356 5.095 4.740 -0.002 0.000 0.262 256 N C -1.447 174.022 175.510 -0.069 0.000 1.478 256 N CA -0.694 52.308 53.050 -0.080 0.000 0.841 256 N CB 1.299 39.521 38.487 -0.443 0.000 1.512 256 N HN 0.626 nan 8.380 nan 0.000 0.548 257 H N -2.252 116.882 119.070 0.107 0.000 4.396 257 H HA -0.110 4.445 4.556 -0.002 0.000 0.255 257 H C -2.712 172.665 175.328 0.082 0.000 0.574 257 H CA 0.105 56.183 56.048 0.049 0.000 0.744 257 H CB -1.968 27.812 29.762 0.029 0.000 0.934 257 H HN 0.394 nan 8.280 nan 0.000 0.417 258 P HA 0.096 nan 4.420 nan 0.000 0.265 258 P C -0.337 177.075 177.300 0.187 0.000 1.222 258 P CA 0.562 63.765 63.100 0.173 0.000 0.767 258 P CB 0.423 32.212 31.700 0.148 0.000 0.801 259 T N 4.019 118.672 114.554 0.166 0.000 2.771 259 T HA 0.197 4.546 4.350 -0.002 0.000 0.281 259 T C 1.220 176.072 174.700 0.254 0.000 0.982 259 T CA -0.635 61.514 62.100 0.082 0.000 0.978 259 T CB 1.413 70.238 68.868 -0.071 0.000 0.930 259 T HN 0.261 nan 8.240 nan 0.000 0.447 260 K N 1.817 122.303 120.400 0.143 0.000 2.116 260 K HA 0.088 4.407 4.320 -0.002 0.000 0.203 260 K C 0.085 176.980 176.600 0.492 0.000 1.052 260 K CA 0.984 57.447 56.287 0.294 0.000 0.952 260 K CB 0.073 32.648 32.500 0.124 0.000 0.729 260 K HN 0.773 nan 8.250 nan 0.000 0.446 261 Y N -2.172 118.341 120.300 0.356 0.000 2.779 261 Y HA 0.493 5.042 4.550 -0.002 0.000 0.340 261 Y C -1.826 174.217 175.900 0.238 0.000 1.252 261 Y CA -1.751 56.484 58.100 0.224 0.000 1.072 261 Y CB 0.865 39.409 38.460 0.140 0.000 1.343 261 Y HN -0.299 nan 8.280 nan 0.000 0.450 262 L N 2.106 123.650 121.223 0.535 0.000 2.362 262 L HA 0.983 5.322 4.340 -0.002 0.000 0.271 262 L C -0.629 176.676 176.870 0.726 0.000 1.002 262 L CA -1.275 53.885 54.840 0.534 0.000 0.818 262 L CB 2.080 44.489 42.059 0.583 0.000 1.298 262 L HN 0.980 nan 8.230 nan 0.000 0.420 263 A N 2.538 125.787 122.820 0.714 0.000 2.422 263 A HA 0.838 5.157 4.320 -0.002 0.000 0.302 263 A C -1.799 176.206 177.584 0.701 0.000 1.041 263 A CA -0.395 51.992 52.037 0.583 0.000 0.708 263 A CB 1.306 20.686 19.000 0.634 0.000 1.257 263 A HN 0.794 nan 8.150 nan 0.000 0.414 264 W N 2.042 123.506 121.300 0.274 0.000 3.075 264 W HA 0.749 5.408 4.660 -0.002 0.000 0.334 264 W C -1.115 175.438 176.519 0.056 0.000 1.243 264 W CA -0.478 56.959 57.345 0.153 0.000 1.170 264 W CB 1.041 30.507 29.460 0.010 0.000 1.452 264 W HN 0.903 nan 8.180 nan 0.000 0.572 265 N N 0.232 118.969 118.700 0.061 0.000 2.484 265 N HA 0.511 5.250 4.740 -0.002 0.000 0.269 265 N C -2.186 173.236 175.510 -0.146 0.000 1.237 265 N CA -0.812 52.155 53.050 -0.138 0.000 0.838 265 N CB 2.142 40.249 38.487 -0.632 0.000 1.593 265 N HN 0.394 nan 8.380 nan 0.000 0.485 266 F N 0.959 121.083 119.950 0.290 0.000 2.402 266 F HA 0.402 4.927 4.527 -0.002 0.000 0.355 266 F C 0.575 176.562 175.800 0.312 0.000 1.123 266 F CA -0.762 57.416 58.000 0.297 0.000 1.021 266 F CB 1.209 40.395 39.000 0.310 0.000 1.160 266 F HN 0.488 nan 8.300 nan 0.000 0.451 267 N N 2.715 121.671 118.700 0.427 0.000 2.292 267 N HA 0.194 4.933 4.740 -0.002 0.000 0.303 267 N C -1.496 174.160 175.510 0.243 0.000 1.140 267 N CA -0.615 52.669 53.050 0.392 0.000 0.788 267 N CB 1.937 40.692 38.487 0.448 0.000 1.361 267 N HN 0.784 nan 8.380 nan 0.000 0.489 268 N N 2.935 121.735 118.700 0.166 0.000 2.469 268 N HA 0.194 4.933 4.740 -0.002 0.000 0.239 268 N C -1.822 173.752 175.510 0.107 0.000 1.053 268 N CA -1.821 51.297 53.050 0.112 0.000 0.937 268 N CB 1.060 39.589 38.487 0.070 0.000 1.163 268 N HN 0.376 nan 8.380 nan 0.000 0.509 269 P HA -0.222 nan 4.420 nan 0.000 0.219 269 P C 1.010 178.372 177.300 0.103 0.000 1.153 269 P CA 1.562 64.732 63.100 0.117 0.000 0.865 269 P CB 0.200 31.961 31.700 0.102 0.000 0.788 270 T N -1.132 113.471 114.554 0.082 0.000 2.665 270 T HA -0.107 4.241 4.350 -0.002 0.000 0.268 270 T C 0.836 175.599 174.700 0.105 0.000 1.035 270 T CA 1.262 63.407 62.100 0.075 0.000 1.151 270 T CB -0.659 68.246 68.868 0.062 0.000 0.862 270 T HN 0.155 nan 8.240 nan 0.000 0.438 271 N N 0.548 119.314 118.700 0.109 0.000 2.408 271 N HA 0.225 4.964 4.740 -0.002 0.000 0.280 271 N C 0.164 175.766 175.510 0.152 0.000 1.002 271 N CA -0.454 52.682 53.050 0.144 0.000 0.907 271 N CB 1.464 39.998 38.487 0.078 0.000 1.161 271 N HN 0.063 nan 8.380 nan 0.000 0.488 272 Y N 3.194 123.547 120.300 0.088 0.000 1.885 272 Y HA -0.246 4.303 4.550 -0.002 0.000 0.233 272 Y C 1.801 177.709 175.900 0.014 0.000 1.104 272 Y CA 2.352 60.508 58.100 0.094 0.000 1.045 272 Y CB -0.666 37.896 38.460 0.170 0.000 0.906 272 Y HN 0.608 nan 8.280 nan 0.000 0.508 273 G N 0.550 109.139 108.800 -0.352 0.000 3.591 273 G HA2 0.074 4.033 3.960 -0.002 0.000 0.282 273 G HA3 0.074 4.033 3.960 -0.002 0.000 0.282 273 G C -0.151 174.244 174.900 -0.842 0.000 1.238 273 G CA -0.326 44.312 45.100 -0.770 0.000 0.993 273 G HN 0.426 nan 8.290 nan 0.000 0.542 274 Q N 0.578 120.089 119.800 -0.481 0.000 2.369 274 Q HA 0.195 4.534 4.340 -0.002 0.000 0.247 274 Q C -0.415 175.489 176.000 -0.160 0.000 1.083 274 Q CA -0.271 55.355 55.803 -0.294 0.000 0.905 274 Q CB 0.306 28.971 28.738 -0.122 0.000 1.305 274 Q HN 0.670 nan 8.270 nan 0.000 0.465 275 Y N 1.457 121.762 120.300 0.009 0.000 2.531 275 Y HA 0.224 4.773 4.550 -0.002 0.000 0.249 275 Y C 0.529 176.479 175.900 0.083 0.000 1.168 275 Y CA -0.519 57.623 58.100 0.070 0.000 1.226 275 Y CB 1.611 40.091 38.460 0.033 0.000 1.177 275 Y HN 0.356 nan 8.280 nan 0.000 0.527 276 T N 0.393 115.032 114.554 0.142 0.000 2.901 276 T HA 0.690 5.039 4.350 -0.002 0.000 0.293 276 T C -0.552 174.176 174.700 0.047 0.000 1.084 276 T CA -0.660 61.495 62.100 0.091 0.000 1.008 276 T CB 1.477 70.365 68.868 0.034 0.000 1.170 276 T HN 0.143 nan 8.240 nan 0.000 0.509 277 A N 2.069 124.913 122.820 0.039 0.000 2.388 277 A HA 0.653 4.972 4.320 -0.002 0.000 0.257 277 A C -0.133 177.444 177.584 -0.012 0.000 1.095 277 A CA -0.363 51.683 52.037 0.016 0.000 0.791 277 A CB -0.130 18.881 19.000 0.019 0.000 1.029 277 A HN 0.776 nan 8.150 nan 0.000 0.489 278 L N 1.439 122.646 121.223 -0.027 0.000 2.349 278 L HA 0.544 4.883 4.340 -0.002 0.000 0.275 278 L C 0.593 177.442 176.870 -0.034 0.000 1.115 278 L CA -0.050 54.761 54.840 -0.048 0.000 0.820 278 L CB 0.968 42.988 42.059 -0.064 0.000 1.135 278 L HN 0.837 nan 8.230 nan 0.000 0.445 279 A N 2.515 125.313 122.820 -0.037 0.000 2.566 279 A HA 0.393 4.712 4.320 -0.002 0.000 0.292 279 A C -0.501 177.066 177.584 -0.028 0.000 1.112 279 A CA -0.684 51.338 52.037 -0.025 0.000 0.707 279 A CB 1.349 20.340 19.000 -0.014 0.000 1.302 279 A HN 0.627 nan 8.150 nan 0.000 0.409 280 N N 1.076 119.764 118.700 -0.020 0.000 3.254 280 N HA 0.253 4.992 4.740 -0.002 0.000 0.308 280 N C -1.000 174.502 175.510 -0.014 0.000 1.281 280 N CA 0.434 53.473 53.050 -0.018 0.000 1.212 280 N CB -0.703 37.776 38.487 -0.013 0.000 1.478 280 N HN 0.515 nan 8.380 nan 0.000 0.548 281 I N 1.144 121.703 120.570 -0.018 0.000 2.582 281 I HA 0.312 4.481 4.170 -0.002 0.000 0.292 281 I C -2.277 173.831 176.117 -0.016 0.000 1.066 281 I CA -2.449 58.844 61.300 -0.012 0.000 1.053 281 I CB 2.694 40.689 38.000 -0.008 0.000 1.241 281 I HN -0.048 nan 8.210 nan 0.000 0.421 282 P HA -0.040 nan 4.420 nan 0.000 0.257 282 P C 0.765 178.056 177.300 -0.014 0.000 1.162 282 P CA 1.219 64.313 63.100 -0.009 0.000 0.762 282 P CB 0.252 31.951 31.700 -0.001 0.000 0.753 283 G N 3.407 112.192 108.800 -0.024 0.000 2.225 283 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.254 283 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.254 283 G C 0.948 175.811 174.900 -0.062 0.000 0.988 283 G CA 0.257 45.337 45.100 -0.034 0.000 0.625 283 G HN 0.700 nan 8.290 nan 0.000 0.527 284 A N -0.801 121.984 122.820 -0.058 0.000 2.275 284 A HA 0.621 4.940 4.320 -0.002 0.000 0.212 284 A C 1.315 178.844 177.584 -0.092 0.000 1.201 284 A CA 1.855 53.850 52.037 -0.071 0.000 0.843 284 A CB -0.484 18.489 19.000 -0.045 0.000 0.873 284 A HN 2.285 nan 8.150 nan 0.000 0.492 285 C N -3.558 115.684 119.300 -0.097 0.000 3.253 285 C HA 0.633 5.092 4.460 -0.002 0.000 0.342 285 C C 0.026 174.950 174.990 -0.110 0.000 1.306 285 C CA -0.348 58.600 59.018 -0.117 0.000 1.207 285 C CB 0.551 28.242 27.740 -0.082 0.000 1.479 285 C HN 0.358 nan 8.230 nan 0.000 0.469 286 S N 0.578 116.200 115.700 -0.130 0.000 2.515 286 S HA 0.436 4.905 4.470 -0.002 0.000 0.285 286 S C 1.482 176.055 174.600 -0.044 0.000 1.265 286 S CA 1.816 59.963 58.200 -0.089 0.000 1.079 286 S CB -0.595 62.556 63.200 -0.082 0.000 0.877 286 S HN 2.964 nan 8.310 nan 0.000 0.493 287 G N 3.211 111.995 108.800 -0.027 0.000 2.162 287 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.260 287 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.260 287 G C 0.366 175.256 174.900 -0.017 0.000 0.976 287 G CA 0.122 45.213 45.100 -0.015 0.000 0.655 287 G HN 1.571 nan 8.290 nan 0.000 0.533 288 A N -0.455 122.349 122.820 -0.026 0.000 2.587 288 A HA 0.542 4.861 4.320 -0.002 0.000 0.235 288 A C 2.210 179.786 177.584 -0.014 0.000 1.044 288 A CA 2.280 54.303 52.037 -0.023 0.000 0.754 288 A CB -0.236 18.745 19.000 -0.030 0.000 0.968 288 A HN 2.468 nan 8.150 nan 0.000 0.509 289 G N 0.835 109.629 108.800 -0.011 0.000 2.199 289 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.254 289 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.254 289 G C 0.593 175.491 174.900 -0.004 0.000 0.982 289 G CA 1.159 46.255 45.100 -0.006 0.000 0.632 289 G HN 1.584 nan 8.290 nan 0.000 0.529 290 T N -1.610 112.941 114.554 -0.005 0.000 2.724 290 T HA 0.721 5.070 4.350 -0.002 0.000 0.274 290 T C 1.624 176.322 174.700 -0.004 0.000 0.984 290 T CA 0.816 62.914 62.100 -0.003 0.000 1.024 290 T CB 1.212 70.079 68.868 -0.002 0.000 1.320 290 T HN 1.089 nan 8.240 nan 0.000 0.555 291 A N 0.053 122.872 122.820 -0.002 0.000 2.119 291 A HA 0.385 4.704 4.320 -0.002 0.000 0.217 291 A C 1.966 179.548 177.584 -0.002 0.000 1.153 291 A CA 1.501 53.537 52.037 -0.002 0.000 0.692 291 A CB -0.760 18.239 19.000 -0.001 0.000 0.799 291 A HN 0.854 nan 8.150 nan 0.000 0.458 292 A N -0.639 122.180 122.820 -0.002 0.000 2.275 292 A HA 0.620 4.939 4.320 -0.002 0.000 0.212 292 A C 1.225 178.806 177.584 -0.005 0.000 1.201 292 A CA 0.503 52.539 52.037 -0.002 0.000 0.843 292 A CB -0.727 18.274 19.000 0.000 0.000 0.873 292 A HN 0.942 nan 8.150 nan 0.000 0.492 293 A N 0.502 123.317 122.820 -0.008 0.000 2.566 293 A HA 0.431 4.750 4.320 -0.002 0.000 0.245 293 A C 0.239 177.814 177.584 -0.015 0.000 1.056 293 A CA 0.883 52.911 52.037 -0.014 0.000 0.757 293 A CB -0.350 18.642 19.000 -0.014 0.000 0.979 293 A HN 0.327 nan 8.150 nan 0.000 0.508 294 T N 3.051 117.591 114.554 -0.023 0.000 2.965 294 T HA 0.298 4.647 4.350 -0.002 0.000 0.306 294 T C 0.699 175.377 174.700 -0.035 0.000 0.991 294 T CA -0.477 61.610 62.100 -0.022 0.000 1.001 294 T CB 1.380 70.239 68.868 -0.016 0.000 0.984 294 T HN 0.377 nan 8.240 nan 0.000 0.446 295 V N 2.769 122.665 119.914 -0.029 0.000 3.444 295 V HA -0.061 4.058 4.120 -0.002 0.000 0.271 295 V C 2.137 178.209 176.094 -0.036 0.000 1.188 295 V CA 1.433 63.713 62.300 -0.035 0.000 1.168 295 V CB -0.833 30.976 31.823 -0.024 0.000 0.810 295 V HN 0.912 nan 8.190 nan 0.000 0.500 296 T N -0.726 113.810 114.554 -0.030 0.000 2.978 296 T HA 0.012 4.361 4.350 -0.002 0.000 0.262 296 T C 0.930 175.609 174.700 -0.035 0.000 1.063 296 T CA 0.901 62.988 62.100 -0.021 0.000 1.140 296 T CB 0.111 68.976 68.868 -0.005 0.000 0.886 296 T HN 0.491 nan 8.240 nan 0.000 0.470 297 T N 3.739 118.255 114.554 -0.063 0.000 2.856 297 T HA 0.458 4.807 4.350 -0.002 0.000 0.283 297 T C -2.683 171.866 174.700 -0.252 0.000 1.008 297 T CA -1.483 60.544 62.100 -0.122 0.000 0.997 297 T CB 2.362 71.193 68.868 -0.063 0.000 0.992 297 T HN -0.000 nan 8.240 nan 0.000 0.454 298 P HA 0.238 nan 4.420 nan 0.000 0.279 298 P C -0.834 176.072 177.300 -0.657 0.000 1.252 298 P CA -0.468 62.338 63.100 -0.489 0.000 0.811 298 P CB 0.876 32.291 31.700 -0.475 0.000 1.035 299 D N 1.072 121.241 120.400 -0.385 0.000 2.508 299 D HA 0.031 4.669 4.640 -0.002 0.000 0.224 299 D C 0.947 177.108 176.300 -0.232 0.000 1.171 299 D CA -0.377 53.474 54.000 -0.248 0.000 1.006 299 D CB -0.699 40.024 40.800 -0.128 0.000 1.073 299 D HN 0.195 nan 8.370 nan 0.000 0.513 300 Y N 1.653 121.924 120.300 -0.048 0.000 2.096 300 Y HA -0.301 4.248 4.550 -0.002 0.000 0.276 300 Y C 2.594 178.493 175.900 -0.002 0.000 1.209 300 Y CA 1.557 59.632 58.100 -0.042 0.000 1.137 300 Y CB -0.486 37.997 38.460 0.038 0.000 0.956 300 Y HN 0.468 nan 8.280 nan 0.000 0.506 301 G N -0.653 108.274 108.800 0.212 0.000 2.470 301 G HA2 -0.189 3.769 3.960 -0.002 0.000 0.220 301 G HA3 -0.189 3.769 3.960 -0.002 0.000 0.220 301 G C 0.781 175.790 174.900 0.182 0.000 1.121 301 G CA 0.885 46.122 45.100 0.228 0.000 0.766 301 G HN 0.325 nan 8.290 nan 0.000 0.553 302 N N 0.056 118.774 118.700 0.029 0.000 2.644 302 N HA 0.124 4.862 4.740 -0.002 0.000 0.313 302 N C 0.748 176.151 175.510 -0.178 0.000 1.863 302 N CA -0.114 52.926 53.050 -0.016 0.000 0.918 302 N CB 0.924 39.409 38.487 -0.003 0.000 1.320 302 N HN -0.076 nan 8.380 nan 0.000 0.490 303 T N -0.932 113.353 114.554 -0.448 0.000 2.962 303 T HA -0.025 4.324 4.350 -0.002 0.000 0.270 303 T C 1.231 175.712 174.700 -0.364 0.000 1.088 303 T CA 0.749 62.503 62.100 -0.576 0.000 1.127 303 T CB 0.118 68.319 68.868 -1.112 0.000 0.883 303 T HN 0.370 nan 8.240 nan 0.000 0.493 304 G N 0.321 108.991 108.800 -0.217 0.000 2.528 304 G HA2 0.553 4.512 3.960 -0.002 0.000 0.289 304 G HA3 0.553 4.512 3.960 -0.002 0.000 0.289 304 G C -0.658 174.130 174.900 -0.187 0.000 1.192 304 G CA -0.324 44.691 45.100 -0.142 0.000 0.921 304 G HN 0.246 nan 8.290 nan 0.000 0.512 305 T N -1.542 112.860 114.554 -0.253 0.000 2.792 305 T HA 0.332 4.681 4.350 -0.002 0.000 0.303 305 T C -0.650 173.825 174.700 -0.375 0.000 1.310 305 T CA -0.365 61.589 62.100 -0.244 0.000 1.007 305 T CB 1.452 70.263 68.868 -0.095 0.000 1.335 305 T HN 0.460 nan 8.240 nan 0.000 0.504 306 Y N -0.361 119.940 120.300 0.003 0.000 2.527 306 Y HA 0.329 4.878 4.550 -0.002 0.000 0.247 306 Y C 1.230 177.126 175.900 -0.006 0.000 1.138 306 Y CA -0.698 57.396 58.100 -0.010 0.000 1.228 306 Y CB 0.809 39.261 38.460 -0.012 0.000 1.252 306 Y HN 0.406 nan 8.280 nan 0.000 0.531 307 N N 2.227 120.991 118.700 0.107 0.000 2.402 307 N HA -0.066 4.673 4.740 -0.002 0.000 0.259 307 N C 1.036 176.586 175.510 0.066 0.000 1.167 307 N CA 0.405 53.500 53.050 0.076 0.000 0.949 307 N CB 0.920 39.435 38.487 0.048 0.000 1.212 307 N HN 0.289 nan 8.380 nan 0.000 0.493 308 E N 2.843 123.088 120.200 0.075 0.000 2.265 308 E HA -0.215 4.134 4.350 -0.002 0.000 0.196 308 E C 1.280 177.930 176.600 0.083 0.000 0.996 308 E CA 1.208 57.659 56.400 0.085 0.000 0.832 308 E CB 0.091 29.845 29.700 0.090 0.000 0.756 308 E HN 0.588 nan 8.360 nan 0.000 0.491 309 Q N -0.106 119.732 119.800 0.063 0.000 2.364 309 Q HA -0.011 4.328 4.340 -0.002 0.000 0.209 309 Q C 1.236 177.268 176.000 0.053 0.000 0.977 309 Q CA 1.136 56.972 55.803 0.055 0.000 0.885 309 Q CB -0.031 28.731 28.738 0.040 0.000 0.941 309 Q HN 0.474 nan 8.270 nan 0.000 0.464 310 L N -0.590 120.666 121.223 0.055 0.000 2.640 310 L HA 0.441 4.780 4.340 -0.002 0.000 0.230 310 L C 0.361 177.278 176.870 0.077 0.000 1.123 310 L CA -0.224 54.646 54.840 0.050 0.000 0.900 310 L CB 0.053 42.129 42.059 0.029 0.000 1.146 310 L HN 0.054 nan 8.230 nan 0.000 0.484 311 A N 0.276 123.162 122.820 0.109 0.000 2.293 311 A HA 0.437 4.756 4.320 -0.002 0.000 0.302 311 A C 1.043 178.721 177.584 0.156 0.000 1.119 311 A CA -0.223 51.916 52.037 0.171 0.000 0.823 311 A CB 1.207 20.344 19.000 0.229 0.000 1.097 311 A HN 0.045 nan 8.150 nan 0.000 0.491 312 V N 0.553 120.554 119.914 0.144 0.000 2.825 312 V HA 0.167 4.286 4.120 -0.002 0.000 0.246 312 V C 0.948 177.075 176.094 0.056 0.000 1.068 312 V CA 0.351 62.684 62.300 0.055 0.000 1.088 312 V CB -1.186 30.599 31.823 -0.064 0.000 0.733 312 V HN 0.639 nan 8.190 nan 0.000 0.468 313 L N 2.614 123.851 121.223 0.024 0.000 2.513 313 L HA 0.204 4.543 4.340 -0.002 0.000 0.272 313 L C 1.036 177.947 176.870 0.068 0.000 1.187 313 L CA 1.056 55.869 54.840 -0.045 0.000 0.895 313 L CB 0.601 42.595 42.059 -0.108 0.000 1.147 313 L HN 0.416 nan 8.230 nan 0.000 0.483 314 D N 1.250 121.661 120.400 0.018 0.000 2.414 314 D HA 0.082 4.721 4.640 -0.002 0.000 0.237 314 D C 0.178 176.536 176.300 0.097 0.000 0.975 314 D CA 1.129 55.167 54.000 0.064 0.000 0.917 314 D CB 0.517 41.338 40.800 0.035 0.000 1.061 314 D HN 0.607 nan 8.370 nan 0.000 0.480 315 S N -1.349 114.386 115.700 0.059 0.000 2.638 315 S HA 0.861 5.330 4.470 -0.002 0.000 0.274 315 S C -1.077 173.586 174.600 0.104 0.000 1.157 315 S CA -0.239 58.040 58.200 0.133 0.000 0.826 315 S CB 2.045 65.294 63.200 0.083 0.000 1.139 315 S HN 0.422 nan 8.310 nan 0.000 0.474 316 A N 0.768 123.731 122.820 0.238 0.000 2.608 316 A HA 0.901 5.219 4.320 -0.002 0.000 0.292 316 A C -1.456 176.247 177.584 0.198 0.000 1.066 316 A CA -0.796 51.296 52.037 0.091 0.000 0.676 316 A CB 1.446 20.395 19.000 -0.086 0.000 1.277 316 A HN 1.477 nan 8.150 nan 0.000 0.413 317 K N 0.452 120.814 120.400 -0.065 0.000 2.597 317 K HA 0.762 5.081 4.320 -0.002 0.000 0.282 317 K C -1.837 174.479 176.600 -0.472 0.000 0.975 317 K CA -0.763 55.352 56.287 -0.287 0.000 0.867 317 K CB 1.251 33.563 32.500 -0.313 0.000 1.465 317 K HN 0.563 nan 8.250 nan 0.000 0.417 318 I N 1.064 121.137 120.570 -0.828 0.000 2.648 318 I HA 0.323 4.492 4.170 -0.002 0.000 0.304 318 I C -0.775 175.096 176.117 -0.410 0.000 1.009 318 I CA -1.010 60.020 61.300 -0.451 0.000 1.114 318 I CB 2.257 40.138 38.000 -0.199 0.000 1.293 318 I HN 0.563 nan 8.210 nan 0.000 0.449 319 Q N 5.047 124.715 119.800 -0.220 0.000 2.305 319 Q HA 0.560 4.899 4.340 -0.002 0.000 0.271 319 Q C -1.564 174.367 176.000 -0.116 0.000 1.046 319 Q CA -0.638 55.061 55.803 -0.173 0.000 0.798 319 Q CB 3.135 31.779 28.738 -0.156 0.000 1.286 319 Q HN 0.469 nan 8.270 nan 0.000 0.435 320 L N 3.245 124.406 121.223 -0.103 0.000 2.265 320 L HA 0.409 4.748 4.340 -0.002 0.000 0.289 320 L C -0.229 176.590 176.870 -0.085 0.000 1.033 320 L CA -0.797 53.981 54.840 -0.103 0.000 0.814 320 L CB 0.801 42.799 42.059 -0.102 0.000 1.203 320 L HN 0.721 nan 8.230 nan 0.000 0.423 321 N N 3.398 122.049 118.700 -0.083 0.000 2.705 321 N HA -0.225 4.514 4.740 -0.002 0.000 0.255 321 N C 1.096 176.569 175.510 -0.061 0.000 1.008 321 N CA 1.069 54.078 53.050 -0.067 0.000 0.742 321 N CB -0.895 37.555 38.487 -0.060 0.000 0.906 321 N HN 1.145 nan 8.380 nan 0.000 0.541 322 G N -1.002 107.757 108.800 -0.068 0.000 2.220 322 G HA2 -0.374 3.585 3.960 -0.002 0.000 0.269 322 G HA3 -0.374 3.585 3.960 -0.002 0.000 0.269 322 G C 0.004 174.864 174.900 -0.067 0.000 0.977 322 G CA 0.949 46.010 45.100 -0.066 0.000 0.634 322 G HN 0.620 nan 8.290 nan 0.000 0.539 323 Q N 0.736 120.495 119.800 -0.067 0.000 2.235 323 Q HA 0.496 4.835 4.340 -0.002 0.000 0.250 323 Q C -1.045 174.904 176.000 -0.085 0.000 0.909 323 Q CA -0.731 55.035 55.803 -0.061 0.000 0.910 323 Q CB 1.015 29.726 28.738 -0.045 0.000 1.223 323 Q HN 0.258 nan 8.270 nan 0.000 0.432 324 D N 1.447 121.793 120.400 -0.089 0.000 2.371 324 D HA 0.013 4.652 4.640 -0.002 0.000 0.256 324 D C 0.782 177.013 176.300 -0.115 0.000 1.193 324 D CA 0.022 53.938 54.000 -0.140 0.000 0.881 324 D CB 0.907 41.634 40.800 -0.121 0.000 1.143 324 D HN 0.366 nan 8.370 nan 0.000 0.473 325 R N 2.875 123.261 120.500 -0.191 0.000 2.148 325 R HA 0.055 4.394 4.340 -0.002 0.000 0.227 325 R C -0.397 176.006 176.300 0.173 0.000 1.103 325 R CA 1.073 57.169 56.100 -0.006 0.000 0.983 325 R CB -0.171 30.159 30.300 0.050 0.000 0.874 325 R HN 0.528 nan 8.270 nan 0.000 0.451 326 F N -4.882 115.088 119.950 0.034 0.000 2.744 326 F HA 0.646 5.172 4.527 -0.002 0.000 0.311 326 F C -0.882 174.926 175.800 0.014 0.000 1.144 326 F CA -1.604 56.422 58.000 0.044 0.000 0.938 326 F CB 0.278 39.330 39.000 0.086 0.000 1.292 326 F HN -0.100 nan 8.300 nan 0.000 0.444 327 A N 0.814 123.759 122.820 0.209 0.000 2.448 327 A HA 0.518 4.837 4.320 -0.002 0.000 0.239 327 A C 0.204 177.880 177.584 0.153 0.000 1.080 327 A CA 0.105 52.200 52.037 0.096 0.000 0.779 327 A CB -0.257 18.780 19.000 0.063 0.000 1.026 327 A HN 0.813 nan 8.150 nan 0.000 0.499 328 T N 3.146 117.741 114.554 0.068 0.000 2.888 328 T HA 0.368 4.716 4.350 -0.002 0.000 0.301 328 T C 0.199 174.954 174.700 0.091 0.000 1.001 328 T CA 0.183 62.346 62.100 0.106 0.000 1.147 328 T CB -0.042 68.853 68.868 0.046 0.000 0.931 328 T HN 0.566 nan 8.240 nan 0.000 0.541 329 R N 2.288 122.890 120.500 0.171 0.000 2.807 329 R HA 0.465 4.804 4.340 -0.002 0.000 0.276 329 R C -0.200 176.225 176.300 0.209 0.000 0.979 329 R CA -1.138 54.949 56.100 -0.022 0.000 0.928 329 R CB 1.003 30.945 30.300 -0.597 0.000 1.191 329 R HN 0.423 nan 8.270 nan 0.000 0.471 330 K N 0.330 120.814 120.400 0.140 0.000 2.230 330 K HA 0.131 4.450 4.320 -0.002 0.000 0.253 330 K C 1.542 178.381 176.600 0.398 0.000 1.008 330 K CA 0.172 56.592 56.287 0.222 0.000 0.910 330 K CB 0.391 32.981 32.500 0.149 0.000 0.994 330 K HN 0.840 nan 8.250 nan 0.000 0.495 331 G N 0.493 109.530 108.800 0.395 0.000 2.432 331 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.219 331 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.219 331 G C 1.371 176.628 174.900 0.594 0.000 1.135 331 G CA 1.124 46.554 45.100 0.549 0.000 0.767 331 G HN 0.597 nan 8.290 nan 0.000 0.550 332 S N -0.502 115.413 115.700 0.359 0.000 2.474 332 S HA -0.126 4.343 4.470 -0.002 0.000 0.235 332 S C 2.006 176.707 174.600 0.168 0.000 0.997 332 S CA 1.121 59.460 58.200 0.231 0.000 0.949 332 S CB -0.460 62.828 63.200 0.147 0.000 0.766 332 S HN 0.562 nan 8.310 nan 0.000 0.517 333 Y N 1.931 122.251 120.300 0.033 0.000 2.220 333 Y HA 0.126 4.675 4.550 -0.002 0.000 0.291 333 Y C 1.474 177.273 175.900 -0.168 0.000 1.129 333 Y CA 0.895 58.897 58.100 -0.164 0.000 1.161 333 Y CB -0.519 37.711 38.460 -0.384 0.000 0.997 333 Y HN 0.237 nan 8.280 nan 0.000 0.522 334 F N 0.352 120.332 119.950 0.050 0.000 2.558 334 F HA -0.037 4.489 4.527 -0.002 0.000 0.298 334 F C 2.371 178.089 175.800 -0.136 0.000 1.119 334 F CA 1.137 59.094 58.000 -0.071 0.000 1.451 334 F CB -0.400 38.731 39.000 0.218 0.000 1.091 334 F HN 0.253 nan 8.300 nan 0.000 0.563 335 N N 0.350 119.101 118.700 0.085 0.000 2.387 335 N HA -0.054 4.684 4.740 -0.002 0.000 0.176 335 N C 1.585 177.020 175.510 -0.125 0.000 1.022 335 N CA 0.729 53.714 53.050 -0.107 0.000 0.883 335 N CB 0.290 38.711 38.487 -0.110 0.000 1.019 335 N HN 0.262 nan 8.380 nan 0.000 0.435 336 K N 0.083 120.423 120.400 -0.099 0.000 2.225 336 K HA 0.129 4.448 4.320 -0.002 0.000 0.204 336 K C 2.073 178.597 176.600 -0.126 0.000 1.047 336 K CA 0.343 56.569 56.287 -0.102 0.000 0.970 336 K CB 0.205 32.660 32.500 -0.074 0.000 0.939 336 K HN -0.081 nan 8.250 nan 0.000 0.472 337 V N 2.086 121.879 119.914 -0.202 0.000 2.323 337 V HA -0.196 3.923 4.120 -0.002 0.000 0.244 337 V C 2.365 178.295 176.094 -0.274 0.000 1.041 337 V CA 1.537 63.709 62.300 -0.214 0.000 1.025 337 V CB -0.428 31.268 31.823 -0.210 0.000 0.656 337 V HN 0.290 nan 8.190 nan 0.000 0.451 338 Q N -0.481 119.006 119.800 -0.520 0.000 2.061 338 Q HA -0.178 4.161 4.340 -0.002 0.000 0.204 338 Q C 0.432 176.272 176.000 -0.267 0.000 0.984 338 Q CA 2.317 57.873 55.803 -0.410 0.000 0.846 338 Q CB -1.659 26.843 28.738 -0.394 0.000 0.902 338 Q HN 0.501 nan 8.270 nan 0.000 0.421 339 P HA -0.163 nan 4.420 nan 0.000 0.215 339 P C 1.246 178.436 177.300 -0.183 0.000 1.157 339 P CA 1.045 63.989 63.100 -0.259 0.000 0.863 339 P CB -0.382 31.160 31.700 -0.264 0.000 0.787 340 Y N 0.799 120.971 120.300 -0.215 0.000 2.256 340 Y HA -0.240 4.308 4.550 -0.002 0.000 0.288 340 Y C 2.043 177.859 175.900 -0.140 0.000 1.155 340 Y CA 1.702 59.703 58.100 -0.164 0.000 1.203 340 Y CB -0.596 37.779 38.460 -0.141 0.000 0.980 340 Y HN 0.021 nan 8.280 nan 0.000 0.530 341 Q N -1.150 118.600 119.800 -0.083 0.000 2.331 341 Q HA -0.026 4.312 4.340 -0.002 0.000 0.203 341 Q C 1.839 177.740 176.000 -0.165 0.000 0.944 341 Q CA 1.233 56.966 55.803 -0.117 0.000 0.892 341 Q CB 0.180 28.906 28.738 -0.021 0.000 0.983 341 Q HN 0.562 nan 8.270 nan 0.000 0.482 342 S N -1.794 113.798 115.700 -0.180 0.000 2.687 342 S HA 0.253 4.721 4.470 -0.002 0.000 0.247 342 S C 1.352 175.858 174.600 -0.158 0.000 1.050 342 S CA -0.325 57.786 58.200 -0.149 0.000 1.063 342 S CB 0.351 63.471 63.200 -0.133 0.000 1.039 342 S HN 0.177 nan 8.310 nan 0.000 0.580 343 I N 0.646 121.085 120.570 -0.220 0.000 3.873 343 I HA 0.402 4.571 4.170 -0.002 0.000 0.284 343 I C 1.605 177.593 176.117 -0.215 0.000 1.186 343 I CA 0.442 61.608 61.300 -0.225 0.000 1.362 343 I CB 0.217 38.000 38.000 -0.360 0.000 1.432 343 I HN 0.429 nan 8.210 nan 0.000 0.454 344 G N 1.608 110.255 108.800 -0.256 0.000 2.171 344 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.238 344 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.238 344 G C 0.243 175.034 174.900 -0.182 0.000 1.039 344 G CA 0.097 45.045 45.100 -0.253 0.000 0.759 344 G HN 0.634 nan 8.290 nan 0.000 0.501 345 G N -1.981 106.712 108.800 -0.179 0.000 3.286 345 G HA2 0.817 4.775 3.960 -0.002 0.000 0.166 345 G HA3 0.817 4.775 3.960 -0.002 0.000 0.166 345 G C -0.549 174.270 174.900 -0.135 0.000 1.155 345 G CA 0.181 45.192 45.100 -0.150 0.000 0.871 345 G HN 1.446 nan 8.290 nan 0.000 0.637 346 V N 0.150 119.983 119.914 -0.134 0.000 2.752 346 V HA 0.622 4.741 4.120 -0.002 0.000 0.302 346 V C -1.101 174.971 176.094 -0.037 0.000 1.133 346 V CA -0.419 61.803 62.300 -0.130 0.000 0.919 346 V CB 1.838 33.517 31.823 -0.241 0.000 1.026 346 V HN 0.757 nan 8.190 nan 0.000 0.429 347 T N 9.018 123.555 114.554 -0.028 0.000 2.794 347 T HA 0.550 4.898 4.350 -0.002 0.000 0.280 347 T C -2.764 172.027 174.700 0.153 0.000 0.987 347 T CA -1.180 60.912 62.100 -0.013 0.000 0.993 347 T CB 1.758 70.511 68.868 -0.192 0.000 0.939 347 T HN 0.527 nan 8.240 nan 0.000 0.449 348 P HA 0.257 nan 4.420 nan 0.000 0.269 348 P C -0.542 176.717 177.300 -0.069 0.000 1.215 348 P CA -0.379 62.667 63.100 -0.089 0.000 0.780 348 P CB 0.345 31.888 31.700 -0.262 0.000 0.898 349 A N 2.115 124.907 122.820 -0.046 0.000 2.520 349 A HA 0.425 4.744 4.320 -0.002 0.000 0.235 349 A C 1.482 179.010 177.584 -0.095 0.000 1.065 349 A CA 0.875 52.877 52.037 -0.059 0.000 0.764 349 A CB -1.299 17.709 19.000 0.014 0.000 1.002 349 A HN 0.859 nan 8.150 nan 0.000 0.502 350 G N 0.030 108.697 108.800 -0.222 0.000 2.195 350 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.224 350 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.224 350 G C 0.041 174.658 174.900 -0.473 0.000 0.990 350 G CA 0.073 45.092 45.100 -0.135 0.000 0.639 350 G HN 1.556 nan 8.290 nan 0.000 0.514 351 V N 1.203 120.686 119.914 -0.719 0.000 2.448 351 V HA 0.751 4.870 4.120 -0.002 0.000 0.295 351 V C -0.450 175.053 176.094 -0.984 0.000 1.025 351 V CA -0.962 60.912 62.300 -0.709 0.000 0.859 351 V CB 1.207 32.763 31.823 -0.446 0.000 0.988 351 V HN 0.271 nan 8.190 nan 0.000 0.431 352 Y N 4.314 124.236 120.300 -0.629 0.000 2.485 352 Y HA 0.753 5.302 4.550 -0.002 0.000 0.345 352 Y C -0.209 175.150 175.900 -0.901 0.000 0.998 352 Y CA -1.019 56.557 58.100 -0.873 0.000 1.059 352 Y CB 1.956 39.488 38.460 -1.546 0.000 1.234 352 Y HN 0.430 nan 8.280 nan 0.000 0.461 353 L N 3.051 124.030 121.223 -0.407 0.000 2.409 353 L HA 0.570 4.909 4.340 -0.002 0.000 0.262 353 L C -2.286 174.671 176.870 0.145 0.000 0.992 353 L CA -0.883 53.853 54.840 -0.174 0.000 0.817 353 L CB 2.506 44.408 42.059 -0.261 0.000 1.350 353 L HN 0.851 nan 8.230 nan 0.000 0.411 354 Y N 2.890 123.292 120.300 0.171 0.000 2.301 354 Y HA 0.389 4.937 4.550 -0.002 0.000 0.325 354 Y C -0.760 175.091 175.900 -0.082 0.000 1.103 354 Y CA -0.325 57.876 58.100 0.167 0.000 1.182 354 Y CB 1.628 40.317 38.460 0.381 0.000 1.139 354 Y HN 0.658 nan 8.280 nan 0.000 0.443 355 S N 4.646 119.934 115.700 -0.687 0.000 2.554 355 S HA 0.434 4.903 4.470 -0.002 0.000 0.278 355 S C 0.091 174.316 174.600 -0.625 0.000 1.242 355 S CA -0.368 57.559 58.200 -0.455 0.000 1.051 355 S CB 0.386 63.472 63.200 -0.189 0.000 0.986 355 S HN 0.645 nan 8.310 nan 0.000 0.502 356 F N 2.241 122.233 119.950 0.070 0.000 2.695 356 F HA 0.442 4.967 4.527 -0.002 0.000 0.303 356 F C 1.050 176.920 175.800 0.116 0.000 1.091 356 F CA -0.197 57.875 58.000 0.121 0.000 1.300 356 F CB 0.339 39.486 39.000 0.245 0.000 1.071 356 F HN 0.570 nan 8.300 nan 0.000 0.578 357 A N 0.138 123.095 122.820 0.228 0.000 2.354 357 A HA 0.614 4.933 4.320 -0.002 0.000 0.321 357 A C 0.685 178.329 177.584 0.100 0.000 1.125 357 A CA -0.526 51.628 52.037 0.194 0.000 0.799 357 A CB 1.021 20.174 19.000 0.254 0.000 1.293 357 A HN 0.240 nan 8.150 nan 0.000 0.452 358 L N -0.303 120.974 121.223 0.090 0.000 2.179 358 L HA 0.122 4.460 4.340 -0.002 0.000 0.208 358 L C 1.339 178.230 176.870 0.036 0.000 1.096 358 L CA 1.215 56.082 54.840 0.046 0.000 0.779 358 L CB -0.001 42.086 42.059 0.046 0.000 0.922 358 L HN 0.711 nan 8.230 nan 0.000 0.443 359 K N 0.389 120.832 120.400 0.072 0.000 2.827 359 K HA 0.199 4.518 4.320 -0.002 0.000 0.186 359 K C -1.941 174.737 176.600 0.131 0.000 1.093 359 K CA -1.336 54.994 56.287 0.071 0.000 0.993 359 K CB 1.262 33.798 32.500 0.060 0.000 1.199 359 K HN -0.209 nan 8.250 nan 0.000 0.598 360 P HA -0.163 nan 4.420 nan 0.000 0.221 360 P C 0.706 178.138 177.300 0.220 0.000 1.145 360 P CA 0.996 64.255 63.100 0.265 0.000 0.795 360 P CB 0.314 32.154 31.700 0.233 0.000 0.775 361 A N -0.319 122.626 122.820 0.208 0.000 2.275 361 A HA 0.399 4.718 4.320 -0.002 0.000 0.212 361 A C 1.305 178.929 177.584 0.067 0.000 1.201 361 A CA 0.191 52.297 52.037 0.115 0.000 0.843 361 A CB -0.703 18.450 19.000 0.256 0.000 0.873 361 A HN 0.295 nan 8.150 nan 0.000 0.492 362 G N -1.204 107.654 108.800 0.097 0.000 2.367 362 G HA2 0.441 4.400 3.960 -0.002 0.000 0.314 362 G HA3 0.441 4.400 3.960 -0.002 0.000 0.314 362 G C 0.600 175.580 174.900 0.133 0.000 1.130 362 G CA -0.564 44.594 45.100 0.096 0.000 0.864 362 G HN 0.074 nan 8.290 nan 0.000 0.486 363 R N 0.162 120.738 120.500 0.126 0.000 2.066 363 R HA 0.009 4.348 4.340 -0.002 0.000 0.232 363 R C 1.380 177.822 176.300 0.237 0.000 1.131 363 R CA 0.475 56.681 56.100 0.178 0.000 0.955 363 R CB -0.509 29.878 30.300 0.146 0.000 0.851 363 R HN 0.545 nan 8.270 nan 0.000 0.432 364 Q N 2.764 122.655 119.800 0.151 0.000 2.300 364 Q HA 0.066 4.404 4.340 -0.002 0.000 0.280 364 Q C -2.040 174.028 176.000 0.114 0.000 1.033 364 Q CA -1.505 54.358 55.803 0.100 0.000 0.903 364 Q CB 0.790 29.565 28.738 0.061 0.000 1.195 364 Q HN 0.086 nan 8.270 nan 0.000 0.386 365 P HA -0.018 nan 4.420 nan 0.000 0.266 365 P C -0.712 176.611 177.300 0.040 0.000 1.195 365 P CA 0.240 63.315 63.100 -0.042 0.000 0.768 365 P CB 0.543 32.005 31.700 -0.396 0.000 0.838 366 S N 0.831 116.597 115.700 0.111 0.000 2.745 366 S HA 0.538 5.006 4.470 -0.002 0.000 0.232 366 S C 0.016 174.691 174.600 0.125 0.000 0.804 366 S CA -0.073 58.184 58.200 0.096 0.000 1.071 366 S CB -0.650 62.607 63.200 0.095 0.000 1.480 366 S HN 0.893 nan 8.310 nan 0.000 0.467 367 G N 0.357 109.242 108.800 0.142 0.000 2.873 367 G HA2 0.343 4.301 3.960 -0.002 0.000 0.507 367 G HA3 0.343 4.301 3.960 -0.002 0.000 0.507 367 G C -0.850 174.201 174.900 0.250 0.000 1.440 367 G CA -0.173 45.033 45.100 0.178 0.000 1.016 367 G HN 0.562 nan 8.290 nan 0.000 0.615 368 T N 0.398 115.084 114.554 0.219 0.000 2.889 368 T HA 0.660 5.009 4.350 -0.002 0.000 0.315 368 T C -1.055 173.709 174.700 0.107 0.000 1.291 368 T CA 0.123 62.358 62.100 0.224 0.000 1.028 368 T CB 1.951 70.937 68.868 0.198 0.000 1.235 368 T HN 1.664 nan 8.240 nan 0.000 0.491 369 C N 3.468 122.764 119.300 -0.006 0.000 2.396 369 C HA 0.642 5.101 4.460 -0.002 0.000 0.321 369 C C -0.003 174.973 174.990 -0.023 0.000 1.233 369 C CA -0.776 58.134 59.018 -0.180 0.000 1.440 369 C CB -0.231 27.094 27.740 -0.691 0.000 2.110 369 C HN 1.016 nan 8.230 nan 0.000 0.473 370 N N 3.929 122.604 118.700 -0.043 0.000 2.439 370 N HA 0.284 5.022 4.740 -0.002 0.000 0.243 370 N C 0.216 175.727 175.510 0.002 0.000 1.088 370 N CA -0.323 52.746 53.050 0.033 0.000 0.940 370 N CB 0.321 38.805 38.487 -0.006 0.000 1.180 370 N HN 0.714 nan 8.380 nan 0.000 0.505 371 F N 1.141 121.054 119.950 -0.061 0.000 2.748 371 F HA 0.049 4.575 4.527 -0.002 0.000 0.299 371 F C 2.147 177.915 175.800 -0.053 0.000 1.154 371 F CA 0.247 58.226 58.000 -0.035 0.000 1.446 371 F CB 0.292 39.315 39.000 0.037 0.000 1.112 371 F HN 0.471 nan 8.300 nan 0.000 0.584 372 S N -0.704 115.042 115.700 0.077 0.000 2.607 372 S HA 0.022 4.490 4.470 -0.002 0.000 0.224 372 S C 1.917 176.510 174.600 -0.012 0.000 0.969 372 S CA 0.437 58.635 58.200 -0.003 0.000 0.927 372 S CB -0.064 63.119 63.200 -0.029 0.000 0.772 372 S HN 0.250 nan 8.310 nan 0.000 0.533 373 R N 0.195 120.678 120.500 -0.028 0.000 2.446 373 R HA 0.349 4.688 4.340 -0.002 0.000 0.254 373 R C -0.186 176.069 176.300 -0.075 0.000 0.918 373 R CA 0.081 56.152 56.100 -0.048 0.000 1.069 373 R CB 0.324 30.593 30.300 -0.052 0.000 1.194 373 R HN 0.352 nan 8.270 nan 0.000 0.534 374 I N 2.275 122.781 120.570 -0.106 0.000 2.287 374 I HA 0.049 4.217 4.170 -0.002 0.000 0.290 374 I C 0.838 176.907 176.117 -0.080 0.000 1.069 374 I CA -0.204 61.013 61.300 -0.137 0.000 1.237 374 I CB 1.173 39.007 38.000 -0.278 0.000 1.418 374 I HN -0.165 nan 8.210 nan 0.000 0.481 375 D N 3.697 124.059 120.400 -0.064 0.000 2.133 375 D HA -0.180 4.459 4.640 -0.002 0.000 0.195 375 D C 0.762 177.033 176.300 -0.049 0.000 0.997 375 D CA 1.671 55.642 54.000 -0.047 0.000 0.840 375 D CB 0.168 40.942 40.800 -0.044 0.000 0.947 375 D HN 0.494 nan 8.370 nan 0.000 0.452 376 N N -0.130 118.534 118.700 -0.062 0.000 2.461 376 N HA 0.355 5.094 4.740 -0.002 0.000 0.284 376 N C -1.840 173.628 175.510 -0.069 0.000 1.049 376 N CA -0.224 52.789 53.050 -0.061 0.000 0.889 376 N CB 1.825 40.276 38.487 -0.061 0.000 1.365 376 N HN -0.154 nan 8.380 nan 0.000 0.499 377 A N 2.633 125.427 122.820 -0.043 0.000 2.318 377 A HA 0.738 5.057 4.320 -0.002 0.000 0.317 377 A C -0.591 176.979 177.584 -0.024 0.000 1.159 377 A CA -0.350 51.680 52.037 -0.013 0.000 0.799 377 A CB 1.074 20.151 19.000 0.130 0.000 1.194 377 A HN 0.535 nan 8.150 nan 0.000 0.479 378 T N 2.215 116.739 114.554 -0.049 0.000 2.909 378 T HA 0.503 4.852 4.350 -0.002 0.000 0.299 378 T C -1.092 173.533 174.700 -0.125 0.000 1.073 378 T CA -0.383 61.663 62.100 -0.090 0.000 0.999 378 T CB 1.384 70.191 68.868 -0.101 0.000 1.098 378 T HN 0.581 nan 8.240 nan 0.000 0.477 379 L N 2.606 123.729 121.223 -0.168 0.000 2.295 379 L HA 0.573 4.912 4.340 -0.002 0.000 0.281 379 L C -0.056 176.670 176.870 -0.239 0.000 1.018 379 L CA -0.433 54.252 54.840 -0.258 0.000 0.841 379 L CB 1.163 43.002 42.059 -0.367 0.000 1.218 379 L HN 0.637 nan 8.230 nan 0.000 0.424 380 S N 5.871 121.432 115.700 -0.232 0.000 2.439 380 S HA 0.540 5.008 4.470 -0.002 0.000 0.282 380 S C -0.464 174.007 174.600 -0.216 0.000 1.170 380 S CA -0.483 57.602 58.200 -0.192 0.000 1.054 380 S CB 0.094 63.194 63.200 -0.167 0.000 0.956 380 S HN 0.534 nan 8.310 nan 0.000 0.490 381 L N 4.339 125.423 121.223 -0.233 0.000 2.346 381 L HA 0.589 4.928 4.340 -0.002 0.000 0.274 381 L C -0.081 176.532 176.870 -0.429 0.000 1.007 381 L CA -0.641 53.993 54.840 -0.343 0.000 0.818 381 L CB 2.397 44.214 42.059 -0.402 0.000 1.284 381 L HN 0.487 nan 8.230 nan 0.000 0.424 382 T N 0.861 115.144 114.554 -0.453 0.000 2.879 382 T HA 0.537 4.886 4.350 -0.002 0.000 0.290 382 T C -0.956 173.493 174.700 -0.418 0.000 0.993 382 T CA -0.492 61.401 62.100 -0.344 0.000 0.975 382 T CB 0.854 69.640 68.868 -0.137 0.000 0.981 382 T HN 0.156 nan 8.240 nan 0.000 0.439 383 Y N 1.259 121.523 120.300 -0.061 0.000 2.432 383 Y HA 0.536 5.085 4.550 -0.002 0.000 0.322 383 Y C 1.063 176.935 175.900 -0.046 0.000 1.246 383 Y CA -1.168 56.876 58.100 -0.092 0.000 1.268 383 Y CB 1.014 39.397 38.460 -0.129 0.000 1.276 383 Y HN 0.347 nan 8.280 nan 0.000 0.499 384 K N 0.022 120.501 120.400 0.131 0.000 2.138 384 K HA 0.282 4.601 4.320 -0.002 0.000 0.251 384 K C -0.595 176.046 176.600 0.068 0.000 1.015 384 K CA -0.519 55.815 56.287 0.079 0.000 0.917 384 K CB 0.410 32.950 32.500 0.068 0.000 1.021 384 K HN 0.533 nan 8.250 nan 0.000 0.485 385 T N 1.534 116.116 114.554 0.046 0.000 2.723 385 T HA 0.080 4.429 4.350 -0.002 0.000 0.297 385 T C -0.095 174.618 174.700 0.021 0.000 0.925 385 T CA -0.465 61.654 62.100 0.031 0.000 1.030 385 T CB -0.298 68.585 68.868 0.025 0.000 0.905 385 T HN 0.521 nan 8.240 nan 0.000 0.502 386 C N 4.347 123.653 119.300 0.010 0.000 2.645 386 C HA 0.186 4.644 4.460 -0.002 0.000 0.451 386 C C 2.031 177.023 174.990 0.003 0.000 1.018 386 C CA -0.652 58.368 59.018 0.004 0.000 1.180 386 C CB -2.416 25.317 27.740 -0.011 0.000 1.563 386 C HN 1.015 nan 8.230 nan 0.000 0.551 387 S N 0.147 115.852 115.700 0.008 0.000 2.512 387 S HA 0.232 4.701 4.470 -0.002 0.000 0.216 387 S C 0.317 174.921 174.600 0.006 0.000 1.006 387 S CA -0.086 58.118 58.200 0.006 0.000 0.915 387 S CB -0.110 63.095 63.200 0.008 0.000 0.824 387 S HN 0.655 nan 8.310 nan 0.000 0.497 388 I N 3.380 123.955 120.570 0.008 0.000 2.618 388 I HA 0.111 4.280 4.170 -0.002 0.000 0.284 388 I C 0.146 176.266 176.117 0.004 0.000 1.146 388 I CA -0.164 61.141 61.300 0.008 0.000 1.425 388 I CB 0.277 38.283 38.000 0.011 0.000 1.383 388 I HN 0.137 nan 8.210 nan 0.000 0.562 389 D N 5.621 126.023 120.400 0.003 0.000 2.342 389 D HA 0.184 4.822 4.640 -0.002 0.000 0.260 389 D C 0.970 177.270 176.300 -0.000 0.000 1.278 389 D CA -0.006 53.995 54.000 0.001 0.000 0.910 389 D CB 1.319 42.120 40.800 0.001 0.000 1.079 389 D HN 0.603 nan 8.370 nan 0.000 0.496 390 A N 3.107 125.926 122.820 -0.002 0.000 2.024 390 A HA -0.186 4.132 4.320 -0.002 0.000 0.220 390 A C 2.077 179.657 177.584 -0.007 0.000 1.164 390 A CA 2.022 54.056 52.037 -0.005 0.000 0.643 390 A CB -0.834 18.161 19.000 -0.008 0.000 0.806 390 A HN 0.682 nan 8.150 nan 0.000 0.451 391 T N -3.335 111.215 114.554 -0.007 0.000 3.085 391 T HA 0.123 4.472 4.350 -0.002 0.000 0.263 391 T C 0.893 175.590 174.700 -0.005 0.000 1.127 391 T CA 0.850 62.946 62.100 -0.007 0.000 1.103 391 T CB -0.302 68.562 68.868 -0.006 0.000 0.921 391 T HN 0.276 nan 8.240 nan 0.000 0.510 392 S N 2.131 117.829 115.700 -0.003 0.000 2.422 392 S HA 0.419 4.888 4.470 -0.002 0.000 0.298 392 S C -1.875 172.725 174.600 -0.001 0.000 1.118 392 S CA -1.677 56.523 58.200 -0.001 0.000 1.083 392 S CB 1.312 64.512 63.200 0.000 0.000 0.971 392 S HN 0.015 nan 8.310 nan 0.000 0.478 393 P HA -0.013 nan 4.420 nan 0.000 0.215 393 P C 1.428 178.729 177.300 0.002 0.000 1.157 393 P CA 1.286 64.386 63.100 0.000 0.000 0.863 393 P CB 0.047 31.747 31.700 -0.000 0.000 0.787 394 A N -0.086 122.736 122.820 0.002 0.000 1.940 394 A HA -0.181 4.138 4.320 -0.002 0.000 0.219 394 A C 2.279 179.866 177.584 0.005 0.000 1.176 394 A CA 2.293 54.332 52.037 0.004 0.000 0.631 394 A CB -1.594 17.408 19.000 0.003 0.000 0.814 394 A HN 0.212 nan 8.150 nan 0.000 0.446 395 A N -0.737 122.086 122.820 0.004 0.000 1.872 395 A HA 0.097 4.415 4.320 -0.002 0.000 0.214 395 A C 2.197 179.786 177.584 0.008 0.000 1.187 395 A CA 1.552 53.592 52.037 0.006 0.000 0.614 395 A CB -0.854 18.149 19.000 0.005 0.000 0.826 395 A HN 0.411 nan 8.150 nan 0.000 0.442 396 V N 0.236 120.154 119.914 0.007 0.000 2.407 396 V HA -0.196 3.922 4.120 -0.002 0.000 0.248 396 V C 2.310 178.411 176.094 0.012 0.000 1.055 396 V CA 1.706 64.012 62.300 0.010 0.000 1.049 396 V CB -0.758 31.069 31.823 0.007 0.000 0.662 396 V HN 0.530 nan 8.190 nan 0.000 0.455 397 L N 0.138 121.367 121.223 0.010 0.000 2.554 397 L HA 0.248 4.587 4.340 -0.002 0.000 0.226 397 L C 1.311 178.188 176.870 0.011 0.000 1.137 397 L CA 0.772 55.619 54.840 0.011 0.000 0.863 397 L CB -0.224 41.840 42.059 0.009 0.000 0.985 397 L HN 0.455 nan 8.230 nan 0.000 0.451 398 G N -0.163 108.643 108.800 0.010 0.000 4.332 398 G HA2 0.285 4.244 3.960 -0.002 0.000 0.321 398 G HA3 0.285 4.244 3.960 -0.002 0.000 0.321 398 G C -0.781 174.125 174.900 0.011 0.000 1.439 398 G CA -0.270 44.836 45.100 0.010 0.000 0.900 398 G HN -0.064 nan 8.290 nan 0.000 0.515 399 N N -0.357 118.351 118.700 0.014 0.000 2.831 399 N HA 0.512 5.250 4.740 -0.002 0.000 0.276 399 N C -0.316 175.206 175.510 0.019 0.000 1.416 399 N CA -0.364 52.696 53.050 0.016 0.000 0.799 399 N CB 2.098 40.596 38.487 0.018 0.000 1.554 399 N HN 0.090 nan 8.380 nan 0.000 0.541 400 T N 0.366 114.932 114.554 0.020 0.000 2.828 400 T HA 0.056 4.405 4.350 -0.002 0.000 0.290 400 T C 1.408 176.125 174.700 0.030 0.000 1.019 400 T CA -0.178 61.935 62.100 0.022 0.000 1.031 400 T CB 0.830 69.710 68.868 0.020 0.000 1.001 400 T HN 0.513 nan 8.240 nan 0.000 0.531 401 E N 0.316 120.535 120.200 0.032 0.000 2.347 401 E HA -0.107 4.242 4.350 -0.002 0.000 0.196 401 E C 1.338 177.967 176.600 0.049 0.000 1.008 401 E CA 1.011 57.436 56.400 0.042 0.000 0.852 401 E CB 0.072 29.796 29.700 0.041 0.000 0.783 401 E HN 0.762 nan 8.360 nan 0.000 0.505 402 T N -1.515 113.063 114.554 0.041 0.000 3.105 402 T HA 0.204 4.553 4.350 -0.002 0.000 0.253 402 T C 0.390 175.115 174.700 0.042 0.000 1.047 402 T CA 0.013 62.139 62.100 0.043 0.000 0.944 402 T CB 0.214 69.102 68.868 0.035 0.000 1.016 402 T HN 0.038 nan 8.240 nan 0.000 0.544 403 V N -1.925 118.013 119.914 0.040 0.000 3.001 403 V HA 0.926 5.045 4.120 -0.002 0.000 0.314 403 V C -0.606 175.511 176.094 0.038 0.000 1.099 403 V CA -0.767 61.554 62.300 0.035 0.000 0.989 403 V CB 1.849 33.688 31.823 0.026 0.000 1.040 403 V HN 0.260 nan 8.190 nan 0.000 0.434 404 T N 0.603 115.177 114.554 0.032 0.000 2.645 404 T HA 0.865 5.213 4.350 -0.002 0.000 0.273 404 T C -0.029 174.682 174.700 0.019 0.000 0.960 404 T CA -0.206 61.913 62.100 0.031 0.000 1.051 404 T CB 1.474 70.363 68.868 0.035 0.000 1.366 404 T HN 1.435 nan 8.240 nan 0.000 0.536 405 A N 1.098 123.928 122.820 0.015 0.000 2.327 405 A HA 0.473 4.792 4.320 -0.002 0.000 0.283 405 A C 1.137 178.722 177.584 0.002 0.000 1.127 405 A CA -0.709 51.332 52.037 0.007 0.000 0.810 405 A CB -0.070 18.932 19.000 0.005 0.000 1.066 405 A HN 0.865 nan 8.150 nan 0.000 0.492 406 N N 1.538 120.237 118.700 -0.001 0.000 2.417 406 N HA -0.156 4.583 4.740 -0.002 0.000 0.187 406 N C 0.950 176.454 175.510 -0.009 0.000 1.027 406 N CA 2.070 55.116 53.050 -0.006 0.000 0.891 406 N CB -0.959 37.524 38.487 -0.006 0.000 0.956 406 N HN 0.533 nan 8.380 nan 0.000 0.442 407 T N -0.445 114.105 114.554 -0.006 0.000 3.025 407 T HA 0.050 4.399 4.350 -0.002 0.000 0.270 407 T C 1.761 176.458 174.700 -0.004 0.000 1.126 407 T CA 0.956 63.052 62.100 -0.007 0.000 1.105 407 T CB -0.387 68.475 68.868 -0.009 0.000 0.884 407 T HN 0.562 nan 8.240 nan 0.000 0.522 408 A N 1.592 124.409 122.820 -0.006 0.000 2.172 408 A HA -0.054 4.265 4.320 -0.002 0.000 0.216 408 A C 2.433 179.997 177.584 -0.034 0.000 1.154 408 A CA 1.481 53.513 52.037 -0.009 0.000 0.701 408 A CB -0.908 18.085 19.000 -0.011 0.000 0.789 408 A HN 0.568 nan 8.150 nan 0.000 0.465 409 T N 0.056 114.589 114.554 -0.036 0.000 2.833 409 T HA -0.084 4.264 4.350 -0.002 0.000 0.269 409 T C 1.627 176.310 174.700 -0.029 0.000 1.054 409 T CA 1.222 63.293 62.100 -0.050 0.000 1.135 409 T CB -0.441 68.406 68.868 -0.035 0.000 0.869 409 T HN 0.425 nan 8.240 nan 0.000 0.466 410 L N 0.212 121.433 121.223 -0.004 0.000 2.376 410 L HA 0.165 4.503 4.340 -0.002 0.000 0.219 410 L C 0.886 177.784 176.870 0.047 0.000 1.133 410 L CA 0.540 55.391 54.840 0.018 0.000 0.816 410 L CB -0.738 41.333 42.059 0.021 0.000 0.933 410 L HN 0.285 nan 8.230 nan 0.000 0.449 411 L N 1.585 122.842 121.223 0.055 0.000 2.415 411 L HA 0.037 4.376 4.340 -0.002 0.000 0.269 411 L C 1.218 178.165 176.870 0.129 0.000 1.244 411 L CA -0.070 54.848 54.840 0.129 0.000 1.113 411 L CB -0.300 41.855 42.059 0.161 0.000 1.352 411 L HN 0.175 nan 8.230 nan 0.000 0.433 412 T N -2.889 111.740 114.554 0.125 0.000 3.044 412 T HA 0.324 4.672 4.350 -0.002 0.000 0.260 412 T C 0.603 175.395 174.700 0.155 0.000 1.019 412 T CA -0.016 62.150 62.100 0.110 0.000 0.921 412 T CB 0.598 69.498 68.868 0.053 0.000 1.053 412 T HN 0.368 nan 8.240 nan 0.000 0.533 413 A N 1.984 124.921 122.820 0.196 0.000 2.444 413 A HA 0.664 4.983 4.320 -0.002 0.000 0.332 413 A C -0.152 177.556 177.584 0.207 0.000 1.430 413 A CA -0.676 51.472 52.037 0.186 0.000 0.975 413 A CB -0.037 19.075 19.000 0.187 0.000 1.147 413 A HN 0.617 nan 8.150 nan 0.000 0.524 414 L N 3.690 125.010 121.223 0.163 0.000 2.283 414 L HA 0.232 4.570 4.340 -0.002 0.000 0.287 414 L C -0.731 176.172 176.870 0.054 0.000 1.073 414 L CA -0.368 54.505 54.840 0.054 0.000 0.822 414 L CB 0.339 42.431 42.059 0.055 0.000 1.186 414 L HN 0.629 nan 8.230 nan 0.000 0.436 415 N N 6.950 125.698 118.700 0.079 0.000 2.444 415 N HA 0.446 5.185 4.740 -0.002 0.000 0.262 415 N C -0.833 174.707 175.510 0.050 0.000 0.974 415 N CA -0.273 52.875 53.050 0.163 0.000 0.933 415 N CB 2.235 40.836 38.487 0.191 0.000 1.137 415 N HN 0.485 nan 8.380 nan 0.000 0.498 416 I N 3.042 123.616 120.570 0.007 0.000 2.389 416 I HA 0.322 4.491 4.170 -0.002 0.000 0.288 416 I C -0.828 175.339 176.117 0.082 0.000 0.999 416 I CA -0.703 60.679 61.300 0.137 0.000 1.129 416 I CB 0.734 38.828 38.000 0.158 0.000 1.288 416 I HN 0.307 nan 8.210 nan 0.000 0.444 417 Y N 4.420 124.952 120.300 0.385 0.000 2.487 417 Y HA 0.804 5.353 4.550 -0.002 0.000 0.337 417 Y C 0.234 176.026 175.900 -0.181 0.000 1.076 417 Y CA -0.983 57.199 58.100 0.137 0.000 1.115 417 Y CB 1.973 40.488 38.460 0.092 0.000 1.235 417 Y HN 0.542 nan 8.280 nan 0.000 0.468 418 A N 2.318 124.887 122.820 -0.419 0.000 2.408 418 A HA 0.696 5.015 4.320 -0.002 0.000 0.295 418 A C -1.478 175.732 177.584 -0.623 0.000 1.040 418 A CA -0.932 50.649 52.037 -0.759 0.000 0.707 418 A CB 1.330 19.310 19.000 -1.700 0.000 1.235 418 A HN 0.565 nan 8.150 nan 0.000 0.418 419 K N 2.396 122.357 120.400 -0.731 0.000 2.235 419 K HA 0.460 4.779 4.320 -0.002 0.000 0.266 419 K C -0.284 176.009 176.600 -0.511 0.000 0.980 419 K CA -0.317 55.576 56.287 -0.656 0.000 0.849 419 K CB 0.623 32.584 32.500 -0.899 0.000 1.098 419 K HN 0.901 nan 8.250 nan 0.000 0.445 420 N N 2.141 120.630 118.700 -0.351 0.000 2.469 420 N HA 0.284 5.023 4.740 -0.002 0.000 0.286 420 N C -0.998 174.352 175.510 -0.267 0.000 1.275 420 N CA -0.563 52.343 53.050 -0.240 0.000 0.790 420 N CB 0.727 39.177 38.487 -0.062 0.000 1.446 420 N HN 0.230 nan 8.380 nan 0.000 0.501 421 Y N -0.598 119.682 120.300 -0.034 0.000 2.453 421 Y HA 0.492 5.040 4.550 -0.002 0.000 0.326 421 Y C 0.679 176.523 175.900 -0.092 0.000 1.186 421 Y CA -0.265 57.811 58.100 -0.040 0.000 1.200 421 Y CB 1.205 39.656 38.460 -0.014 0.000 1.247 421 Y HN 0.605 nan 8.280 nan 0.000 0.482 422 N N -0.681 118.080 118.700 0.103 0.000 3.116 422 N HA 0.467 5.206 4.740 -0.002 0.000 0.244 422 N C -2.265 173.285 175.510 0.067 0.000 1.485 422 N CA -0.371 52.690 53.050 0.018 0.000 0.884 422 N CB 2.088 40.508 38.487 -0.112 0.000 1.415 422 N HN 0.315 nan 8.380 nan 0.000 0.524 423 V N 1.825 121.806 119.914 0.111 0.000 2.495 423 V HA 0.506 4.625 4.120 -0.002 0.000 0.298 423 V C -0.076 176.021 176.094 0.005 0.000 1.031 423 V CA -0.752 61.592 62.300 0.074 0.000 0.871 423 V CB 1.658 33.562 31.823 0.136 0.000 0.988 423 V HN 0.519 nan 8.190 nan 0.000 0.432 424 L N 6.969 128.194 121.223 0.003 0.000 2.277 424 L HA 0.604 4.942 4.340 -0.002 0.000 0.284 424 L C 0.354 177.286 176.870 0.104 0.000 1.028 424 L CA -0.571 54.270 54.840 0.001 0.000 0.835 424 L CB 0.570 42.570 42.059 -0.097 0.000 1.215 424 L HN 0.780 nan 8.230 nan 0.000 0.425 425 R N 5.339 125.871 120.500 0.053 0.000 2.297 425 R HA 0.640 4.979 4.340 -0.002 0.000 0.308 425 R C -1.270 175.074 176.300 0.073 0.000 1.029 425 R CA -0.616 55.522 56.100 0.063 0.000 0.929 425 R CB 1.396 31.694 30.300 -0.004 0.000 1.046 425 R HN 0.527 nan 8.270 nan 0.000 0.461 426 I N 4.403 125.051 120.570 0.130 0.000 2.498 426 I HA 0.493 4.661 4.170 -0.002 0.000 0.290 426 I C -0.352 175.796 176.117 0.053 0.000 1.032 426 I CA -0.885 60.483 61.300 0.113 0.000 1.073 426 I CB 2.016 40.163 38.000 0.245 0.000 1.251 426 I HN 0.688 nan 8.210 nan 0.000 0.426 427 M N 3.930 123.528 119.600 -0.004 0.000 2.569 427 M HA 0.184 4.663 4.480 -0.002 0.000 0.287 427 M C -0.602 175.688 176.300 -0.016 0.000 1.130 427 M CA -0.137 55.143 55.300 -0.033 0.000 0.885 427 M CB 2.061 34.630 32.600 -0.052 0.000 1.759 427 M HN 0.566 nan 8.290 nan 0.000 0.515 428 S N 2.011 117.713 115.700 0.003 0.000 3.581 428 S HA -0.144 4.325 4.470 -0.002 0.000 0.354 428 S C 0.764 175.450 174.600 0.143 0.000 1.059 428 S CA 1.835 60.074 58.200 0.064 0.000 1.060 428 S CB -2.005 61.226 63.200 0.052 0.000 0.908 428 S HN 1.886 nan 8.310 nan 0.000 0.475 429 G N -0.079 108.737 108.800 0.026 0.000 2.162 429 G HA2 -0.321 3.637 3.960 -0.002 0.000 0.260 429 G HA3 -0.321 3.637 3.960 -0.002 0.000 0.260 429 G C -0.095 174.764 174.900 -0.068 0.000 0.976 429 G CA 0.711 45.746 45.100 -0.109 0.000 0.655 429 G HN 1.245 nan 8.290 nan 0.000 0.533 430 M N -1.805 117.710 119.600 -0.141 0.000 2.622 430 M HA 0.780 5.259 4.480 -0.002 0.000 0.276 430 M C -0.062 175.994 176.300 -0.407 0.000 1.265 430 M CA -0.356 54.618 55.300 -0.543 0.000 0.850 430 M CB 1.692 33.792 32.600 -0.833 0.000 1.720 430 M HN 0.930 nan 8.290 nan 0.000 0.465 431 G N -0.710 107.798 108.800 -0.486 0.000 2.642 431 G HA2 0.869 4.828 3.960 -0.002 0.000 0.293 431 G HA3 0.869 4.828 3.960 -0.002 0.000 0.293 431 G C -1.435 173.477 174.900 0.021 0.000 1.341 431 G CA -0.563 44.474 45.100 -0.106 0.000 0.916 431 G HN 1.141 nan 8.290 nan 0.000 0.474 432 G N -0.805 108.009 108.800 0.023 0.000 2.667 432 G HA2 0.512 4.471 3.960 -0.002 0.000 0.294 432 G HA3 0.512 4.471 3.960 -0.002 0.000 0.294 432 G C -0.951 173.943 174.900 -0.010 0.000 1.467 432 G CA -0.893 44.229 45.100 0.035 0.000 0.852 432 G HN 0.652 nan 8.290 nan 0.000 0.521 433 L N 1.194 122.406 121.223 -0.018 0.000 2.426 433 L HA 0.345 4.684 4.340 -0.002 0.000 0.271 433 L C 1.844 178.650 176.870 -0.106 0.000 1.169 433 L CA -0.183 54.628 54.840 -0.049 0.000 0.836 433 L CB 1.471 43.511 42.059 -0.032 0.000 1.112 433 L HN 0.777 nan 8.230 nan 0.000 0.465 434 A N 3.461 126.174 122.820 -0.179 0.000 2.067 434 A HA 0.008 4.327 4.320 -0.002 0.000 0.217 434 A C 0.122 177.206 177.584 -0.833 0.000 1.156 434 A CA 1.003 52.749 52.037 -0.486 0.000 0.683 434 A CB -0.073 18.595 19.000 -0.552 0.000 0.808 434 A HN 0.610 nan 8.150 nan 0.000 0.455 435 Y N -1.789 118.503 120.300 -0.014 0.000 2.421 435 Y HA 0.621 5.170 4.550 -0.002 0.000 0.339 435 Y C 0.274 176.227 175.900 0.087 0.000 0.996 435 Y CA -0.757 57.369 58.100 0.043 0.000 1.046 435 Y CB 1.493 39.989 38.460 0.059 0.000 1.226 435 Y HN 0.163 nan 8.280 nan 0.000 0.445 436 A N 2.640 125.636 122.820 0.293 0.000 2.261 436 A HA 0.929 5.248 4.320 -0.002 0.000 0.323 436 A C -0.409 177.389 177.584 0.356 0.000 1.107 436 A CA -0.351 51.839 52.037 0.256 0.000 0.883 436 A CB 0.956 20.037 19.000 0.135 0.000 1.251 436 A HN 0.864 nan 8.150 nan 0.000 0.502 437 N N 0.000 118.841 118.700 0.235 0.000 1.763 437 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 437 N CA 0.000 53.099 53.050 0.082 0.000 0.885 437 N CB 0.000 38.367 38.487 -0.201 0.000 1.341 437 N HN 0.000 nan 8.380 nan 0.000 0.667