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 3l75_1_O DATA FIRST_RESID 18 DATA SEQUENCE CPGAEDLEIT KLPNGLIIAS LENFSPASRI GVFIKAGSRY ETTANLGTAH DATA SEQUENCE LLRLASPLTT KGASSFRITR GIEAVGGSLS VYSTREKMTY CVECLRDHVD DATA SEQUENCE TVMEYLLNVT TAPEFRPWEV TDLQPQLKVD KAVAFQSPQV GVLENLHAAA DATA SEQUENCE YKTALANPLY CPDYRIGKIT SEQLHHFVQN NFTSARMALV GIGVKHSDLK DATA SEQUENCE QVAEQFLNIR SGAGTSSAKA TYWGGEIREQ NGHSLVHAAV VTEGAAVGSA DATA SEQUENCE EANAFSVLQH VLGAGPLIKR GSSVTSKLYQ GVAKATTQPF DASAFNVNYS DATA SEQUENCE DSGLFGFYTI SQAAHAGEVI RAAMNQLKAA AQGGVTEEDV TKAKNQLKAT DATA SEQUENCE YLMSVETAQG LLNEIGSEAL LSGTHTAPSV VAQKIDSVTS ADVVNAAKKF DATA SEQUENCE VSGKKSMAAS GDLGSTPFLD EL 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 18 C HA 0.000 nan 4.460 nan 0.000 0.325 18 C C 0.000 174.840 174.990 -0.250 0.000 1.270 18 C CA 0.000 58.924 59.018 -0.157 0.000 1.963 18 C CB 0.000 27.678 27.740 -0.103 0.000 2.134 19 P HA 0.430 nan 4.420 nan 0.000 0.267 19 P C 0.421 177.361 177.300 -0.599 0.000 1.195 19 P CA 0.688 63.240 63.100 -0.913 0.000 0.773 19 P CB 0.846 31.334 31.700 -2.020 0.000 0.837 20 G N -0.497 108.055 108.800 -0.413 0.000 3.190 20 G HA2 0.568 4.528 3.960 0.000 0.000 0.191 20 G HA3 0.568 4.528 3.960 0.000 0.000 0.191 20 G C -0.385 174.610 174.900 0.157 0.000 1.523 20 G CA 0.202 45.255 45.100 -0.078 0.000 0.842 20 G HN 0.809 nan 8.290 nan 0.000 0.782 21 A N -0.995 121.916 122.820 0.152 0.000 2.388 21 A HA 0.808 5.128 4.320 0.000 0.000 0.280 21 A C -0.039 177.662 177.584 0.195 0.000 1.377 21 A CA 0.445 52.575 52.037 0.154 0.000 0.863 21 A CB 1.064 20.111 19.000 0.078 0.000 1.416 21 A HN 0.706 nan 8.150 nan 0.000 0.517 22 E N -2.160 118.091 120.200 0.085 0.000 2.398 22 E HA 0.333 4.683 4.350 0.000 0.000 0.280 22 E C -2.209 174.377 176.600 -0.024 0.000 1.122 22 E CA -0.501 55.913 56.400 0.024 0.000 0.873 22 E CB 1.085 30.752 29.700 -0.056 0.000 1.294 22 E HN 0.548 nan 8.360 nan 0.000 0.435 23 D N 0.806 121.175 120.400 -0.052 0.000 2.268 23 D HA 0.309 4.949 4.640 0.000 0.000 0.249 23 D C -0.568 175.662 176.300 -0.116 0.000 1.008 23 D CA -0.459 53.495 54.000 -0.076 0.000 0.939 23 D CB 1.511 42.265 40.800 -0.076 0.000 1.170 23 D HN 0.267 nan 8.370 nan 0.000 0.468 24 L N 1.999 123.134 121.223 -0.147 0.000 2.556 24 L HA 0.222 4.562 4.340 0.000 0.000 0.245 24 L C 0.301 177.051 176.870 -0.199 0.000 1.174 24 L CA -0.227 54.495 54.840 -0.197 0.000 1.117 24 L CB -0.514 41.347 42.059 -0.330 0.000 1.409 24 L HN 0.223 nan 8.230 nan 0.000 0.411 25 E N 2.918 122.981 120.200 -0.229 0.000 2.470 25 E HA 0.184 4.535 4.350 0.000 0.000 0.258 25 E C -0.173 176.240 176.600 -0.311 0.000 1.295 25 E CA 0.124 56.286 56.400 -0.396 0.000 1.032 25 E CB 1.110 30.328 29.700 -0.802 0.000 0.980 25 E HN 0.575 nan 8.360 nan 0.000 0.500 26 I N 0.648 121.023 120.570 -0.326 0.000 2.426 26 I HA 0.023 4.194 4.170 0.000 0.000 0.238 26 I C -0.858 175.287 176.117 0.046 0.000 1.375 26 I CA -0.062 61.235 61.300 -0.004 0.000 1.312 26 I CB 0.280 38.270 38.000 -0.017 0.000 1.702 26 I HN 0.409 nan 8.210 nan 0.000 0.421 27 T N 4.287 118.972 114.554 0.219 0.000 2.729 27 T HA 0.272 4.622 4.350 0.000 0.000 0.298 27 T C 0.037 174.787 174.700 0.082 0.000 1.013 27 T CA -0.400 61.795 62.100 0.159 0.000 0.957 27 T CB 0.767 69.779 68.868 0.239 0.000 1.130 27 T HN 0.551 nan 8.240 nan 0.000 0.526 28 K N 1.124 121.553 120.400 0.050 0.000 2.956 28 K HA 0.240 4.560 4.320 0.000 0.000 0.239 28 K C -0.582 176.028 176.600 0.018 0.000 1.253 28 K CA -0.245 56.059 56.287 0.028 0.000 0.963 28 K CB -0.150 32.363 32.500 0.022 0.000 1.297 28 K HN 0.488 nan 8.250 nan 0.000 0.566 29 L N 2.828 124.058 121.223 0.011 0.000 2.557 29 L HA -0.102 4.238 4.340 0.000 0.000 0.308 29 L C -0.848 176.026 176.870 0.006 0.000 1.283 29 L CA -0.638 54.204 54.840 0.004 0.000 0.847 29 L CB 0.047 42.104 42.059 -0.004 0.000 1.088 29 L HN 0.469 nan 8.230 nan 0.000 0.537 30 P HA -0.204 nan 4.420 nan 0.000 0.215 30 P C 0.771 178.074 177.300 0.006 0.000 1.153 30 P CA 2.055 65.158 63.100 0.005 0.000 0.853 30 P CB -0.334 31.368 31.700 0.003 0.000 0.788 31 N N -1.056 117.647 118.700 0.005 0.000 2.609 31 N HA -0.020 4.720 4.740 0.000 0.000 0.190 31 N C 1.262 176.777 175.510 0.009 0.000 1.157 31 N CA 0.769 53.824 53.050 0.007 0.000 0.918 31 N CB -0.511 37.981 38.487 0.008 0.000 0.978 31 N HN 0.193 nan 8.380 nan 0.000 0.448 32 G N 0.212 109.017 108.800 0.009 0.000 2.176 32 G HA2 -0.250 3.710 3.960 0.000 0.000 0.232 32 G HA3 -0.250 3.710 3.960 0.000 0.000 0.232 32 G C -0.180 174.726 174.900 0.010 0.000 0.986 32 G CA 0.045 45.152 45.100 0.010 0.000 0.643 32 G HN 0.350 nan 8.290 nan 0.000 0.522 33 L N 2.141 123.368 121.223 0.008 0.000 2.418 33 L HA 0.634 4.974 4.340 0.000 0.000 0.274 33 L C 0.530 177.405 176.870 0.008 0.000 1.135 33 L CA -0.348 54.496 54.840 0.007 0.000 0.870 33 L CB 0.303 42.363 42.059 0.003 0.000 1.154 33 L HN 0.194 nan 8.230 nan 0.000 0.462 34 I N 6.507 127.084 120.570 0.011 0.000 2.396 34 I HA 0.288 4.458 4.170 0.000 0.000 0.292 34 I C -0.249 175.877 176.117 0.015 0.000 0.999 34 I CA -0.213 61.096 61.300 0.015 0.000 1.310 34 I CB 1.009 39.015 38.000 0.010 0.000 1.404 34 I HN 0.515 nan 8.210 nan 0.000 0.496 35 I N 6.294 126.880 120.570 0.026 0.000 2.437 35 I HA 0.451 4.621 4.170 0.000 0.000 0.279 35 I C -0.169 176.012 176.117 0.106 0.000 1.028 35 I CA -0.360 60.947 61.300 0.012 0.000 1.142 35 I CB 1.433 39.387 38.000 -0.075 0.000 1.266 35 I HN 0.562 nan 8.210 nan 0.000 0.461 36 A N 4.943 127.803 122.820 0.067 0.000 2.303 36 A HA 0.820 5.141 4.320 0.000 0.000 0.320 36 A C -0.062 177.569 177.584 0.078 0.000 1.192 36 A CA -0.380 51.709 52.037 0.087 0.000 0.821 36 A CB 1.189 20.185 19.000 -0.007 0.000 1.188 36 A HN 0.683 nan 8.150 nan 0.000 0.492 37 S N 1.681 117.477 115.700 0.161 0.000 2.745 37 S HA 0.898 5.368 4.470 0.000 0.000 0.306 37 S C -1.062 173.545 174.600 0.012 0.000 1.137 37 S CA -0.651 57.608 58.200 0.097 0.000 0.900 37 S CB 1.615 64.907 63.200 0.154 0.000 1.176 37 S HN 1.990 nan 8.310 nan 0.000 0.520 38 L N 0.619 121.822 121.223 -0.033 0.000 2.666 38 L HA 0.713 5.053 4.340 0.000 0.000 0.259 38 L C -1.769 175.022 176.870 -0.132 0.000 0.919 38 L CA -0.233 54.552 54.840 -0.091 0.000 0.927 38 L CB 1.901 43.901 42.059 -0.099 0.000 1.423 38 L HN 0.974 nan 8.230 nan 0.000 0.426 39 E N 2.503 122.576 120.200 -0.210 0.000 2.102 39 E HA 0.450 4.800 4.350 0.000 0.000 0.263 39 E C -0.428 175.909 176.600 -0.438 0.000 0.894 39 E CA -0.188 55.981 56.400 -0.385 0.000 0.746 39 E CB 0.733 30.098 29.700 -0.559 0.000 1.129 39 E HN 0.606 nan 8.360 nan 0.000 0.416 40 N N 4.159 122.686 118.700 -0.289 0.000 2.214 40 N HA 0.074 4.814 4.740 0.000 0.000 0.214 40 N C -0.310 175.216 175.510 0.027 0.000 1.132 40 N CA -0.445 52.541 53.050 -0.107 0.000 0.856 40 N CB -0.595 37.873 38.487 -0.032 0.000 1.020 40 N HN 0.528 nan 8.380 nan 0.000 0.509 41 F N -0.740 119.210 119.950 0.001 0.000 3.093 41 F HA -0.310 4.217 4.527 0.000 0.000 0.283 41 F C 0.779 176.581 175.800 0.002 0.000 0.848 41 F CA 0.670 58.670 58.000 0.000 0.000 1.059 41 F CB -2.109 36.890 39.000 -0.001 0.000 1.191 41 F HN 0.169 nan 8.300 nan 0.000 0.514 42 S N 1.878 117.641 115.700 0.106 0.000 2.562 42 S HA 0.190 4.660 4.470 0.000 0.000 0.281 42 S C -0.274 174.367 174.600 0.068 0.000 1.333 42 S CA -0.772 57.474 58.200 0.076 0.000 1.052 42 S CB 1.063 64.288 63.200 0.041 0.000 0.884 42 S HN 0.082 nan 8.310 nan 0.000 0.506 43 P HA 0.076 nan 4.420 nan 0.000 0.228 43 P C -0.096 177.229 177.300 0.042 0.000 1.151 43 P CA 0.532 63.662 63.100 0.050 0.000 0.770 43 P CB -0.074 31.651 31.700 0.043 0.000 0.786 44 A N -0.322 122.523 122.820 0.040 0.000 2.331 44 A HA 0.577 4.897 4.320 0.000 0.000 0.320 44 A C 0.018 177.622 177.584 0.034 0.000 1.138 44 A CA -0.359 51.702 52.037 0.041 0.000 0.790 44 A CB 1.075 20.100 19.000 0.042 0.000 1.206 44 A HN -0.039 nan 8.150 nan 0.000 0.470 45 S N 0.775 116.498 115.700 0.038 0.000 2.608 45 S HA 0.705 5.175 4.470 0.000 0.000 0.291 45 S C 0.064 174.691 174.600 0.045 0.000 1.146 45 S CA -0.639 57.580 58.200 0.032 0.000 1.043 45 S CB 1.218 64.436 63.200 0.031 0.000 1.037 45 S HN 0.683 nan 8.310 nan 0.000 0.520 46 R N 2.355 122.881 120.500 0.045 0.000 2.680 46 R HA 0.410 4.750 4.340 0.000 0.000 0.278 46 R C -1.380 174.964 176.300 0.073 0.000 1.582 46 R CA -0.192 55.944 56.100 0.059 0.000 1.177 46 R CB 0.028 30.360 30.300 0.054 0.000 1.232 46 R HN 0.624 nan 8.270 nan 0.000 0.528 47 I N 1.737 122.353 120.570 0.077 0.000 2.713 47 I HA 0.623 4.793 4.170 0.000 0.000 0.300 47 I C 0.767 176.946 176.117 0.104 0.000 1.009 47 I CA -0.461 60.892 61.300 0.089 0.000 1.305 47 I CB 1.845 39.889 38.000 0.074 0.000 1.430 47 I HN 0.677 nan 8.210 nan 0.000 0.546 48 G N 2.638 111.517 108.800 0.132 0.000 2.698 48 G HA2 0.566 4.526 3.960 0.000 0.000 0.293 48 G HA3 0.566 4.526 3.960 0.000 0.000 0.293 48 G C -1.882 173.082 174.900 0.107 0.000 1.437 48 G CA -0.388 44.758 45.100 0.078 0.000 0.852 48 G HN 0.316 nan 8.290 nan 0.000 0.499 49 V N 1.441 121.353 119.914 -0.002 0.000 2.326 49 V HA 0.453 4.573 4.120 0.000 0.000 0.281 49 V C -0.863 175.194 176.094 -0.060 0.000 1.015 49 V CA -0.604 61.713 62.300 0.030 0.000 0.823 49 V CB 0.469 32.269 31.823 -0.039 0.000 1.009 49 V HN 0.517 nan 8.190 nan 0.000 0.436 50 F N 5.284 125.235 119.950 0.002 0.000 2.384 50 F HA 0.683 5.211 4.527 0.000 0.000 0.338 50 F C 0.335 176.093 175.800 -0.070 0.000 1.103 50 F CA -0.578 57.421 58.000 -0.002 0.000 1.157 50 F CB 1.105 40.112 39.000 0.010 0.000 1.167 50 F HN 0.233 nan 8.300 nan 0.000 0.529 51 I N 1.886 122.485 120.570 0.047 0.000 2.752 51 I HA 0.235 4.405 4.170 0.000 0.000 0.295 51 I C -0.862 175.229 176.117 -0.044 0.000 1.219 51 I CA -1.077 60.161 61.300 -0.103 0.000 1.030 51 I CB 2.474 40.219 38.000 -0.425 0.000 1.259 51 I HN 0.404 nan 8.210 nan 0.000 0.423 52 K N 4.841 125.205 120.400 -0.060 0.000 2.142 52 K HA 0.656 4.977 4.320 0.000 0.000 0.250 52 K C -0.464 176.003 176.600 -0.223 0.000 1.148 52 K CA -0.110 56.162 56.287 -0.025 0.000 1.040 52 K CB 0.568 33.082 32.500 0.024 0.000 1.569 52 K HN 0.640 nan 8.250 nan 0.000 0.361 53 A N 1.207 123.956 122.820 -0.118 0.000 2.569 53 A HA 0.938 5.259 4.320 0.000 0.000 0.290 53 A C -0.428 177.278 177.584 0.203 0.000 1.136 53 A CA -0.401 51.549 52.037 -0.145 0.000 0.710 53 A CB 2.038 21.135 19.000 0.163 0.000 1.303 53 A HN 0.578 nan 8.150 nan 0.000 0.413 54 G N -1.341 107.720 108.800 0.436 0.000 2.356 54 G HA2 0.510 4.470 3.960 0.000 0.000 0.300 54 G HA3 0.510 4.470 3.960 0.000 0.000 0.300 54 G C 0.502 175.637 174.900 0.393 0.000 1.331 54 G CA 0.631 45.947 45.100 0.360 0.000 0.905 54 G HN 1.882 nan 8.290 nan 0.000 0.587 55 S N -0.469 115.333 115.700 0.170 0.000 2.493 55 S HA -0.149 4.321 4.470 0.000 0.000 0.243 55 S C 2.006 176.683 174.600 0.128 0.000 0.991 55 S CA 1.504 59.771 58.200 0.112 0.000 0.957 55 S CB -0.163 63.039 63.200 0.004 0.000 0.756 55 S HN 0.812 nan 8.310 nan 0.000 0.521 56 R N 0.425 121.005 120.500 0.132 0.000 2.096 56 R HA -0.108 4.233 4.340 0.000 0.000 0.235 56 R C 1.084 177.330 176.300 -0.090 0.000 1.127 56 R CA 1.476 57.548 56.100 -0.047 0.000 0.968 56 R CB -0.336 29.876 30.300 -0.147 0.000 0.861 56 R HN 0.555 nan 8.270 nan 0.000 0.440 57 Y N 0.866 121.232 120.300 0.109 0.000 2.490 57 Y HA 0.197 4.748 4.550 0.000 0.000 0.281 57 Y C 0.210 176.211 175.900 0.168 0.000 1.174 57 Y CA -0.037 58.123 58.100 0.099 0.000 1.295 57 Y CB 0.055 38.530 38.460 0.025 0.000 1.062 57 Y HN 0.070 nan 8.280 nan 0.000 0.522 58 E N 0.163 120.556 120.200 0.321 0.000 2.345 58 E HA 0.316 4.666 4.350 0.000 0.000 0.259 58 E C 0.381 177.061 176.600 0.133 0.000 1.117 58 E CA -0.067 56.485 56.400 0.253 0.000 0.913 58 E CB 0.935 30.737 29.700 0.169 0.000 1.057 58 E HN 0.165 nan 8.360 nan 0.000 0.432 59 T N -2.527 112.094 114.554 0.111 0.000 2.888 59 T HA 0.167 4.517 4.350 0.000 0.000 0.288 59 T C 1.077 175.820 174.700 0.071 0.000 1.063 59 T CA -0.522 61.622 62.100 0.073 0.000 1.010 59 T CB 1.336 70.243 68.868 0.065 0.000 1.214 59 T HN 0.354 nan 8.240 nan 0.000 0.533 60 T N 0.357 114.949 114.554 0.063 0.000 2.653 60 T HA -0.205 4.145 4.350 0.000 0.000 0.268 60 T C 2.201 176.957 174.700 0.093 0.000 1.035 60 T CA 2.652 64.800 62.100 0.080 0.000 1.154 60 T CB -1.202 67.704 68.868 0.063 0.000 0.862 60 T HN 0.836 nan 8.240 nan 0.000 0.441 61 A N 2.201 125.067 122.820 0.076 0.000 1.940 61 A HA -0.122 4.198 4.320 0.000 0.000 0.219 61 A C 1.737 179.356 177.584 0.058 0.000 1.176 61 A CA 2.031 54.111 52.037 0.072 0.000 0.631 61 A CB -0.431 18.608 19.000 0.065 0.000 0.814 61 A HN 0.793 nan 8.150 nan 0.000 0.446 62 N N -0.495 118.240 118.700 0.057 0.000 2.351 62 N HA 0.213 4.954 4.740 0.000 0.000 0.254 62 N C -0.374 175.131 175.510 -0.009 0.000 1.241 62 N CA -0.384 52.682 53.050 0.028 0.000 0.883 62 N CB -0.759 37.771 38.487 0.072 0.000 1.202 62 N HN 0.358 nan 8.380 nan 0.000 0.512 63 L N 0.463 121.680 121.223 -0.009 0.000 2.573 63 L HA 0.070 4.410 4.340 0.000 0.000 0.290 63 L C 1.609 178.415 176.870 -0.107 0.000 1.247 63 L CA 1.471 56.288 54.840 -0.038 0.000 0.876 63 L CB 0.003 42.040 42.059 -0.036 0.000 1.123 63 L HN 0.547 nan 8.230 nan 0.000 0.505 64 G N 1.107 109.853 108.800 -0.090 0.000 2.245 64 G HA2 -0.393 3.567 3.960 0.000 0.000 0.264 64 G HA3 -0.393 3.567 3.960 0.000 0.000 0.264 64 G C 0.997 175.794 174.900 -0.172 0.000 0.985 64 G CA 0.865 45.903 45.100 -0.104 0.000 0.625 64 G HN 0.732 nan 8.290 nan 0.000 0.536 65 T N 0.168 114.588 114.554 -0.224 0.000 2.759 65 T HA 0.112 4.462 4.350 0.000 0.000 0.269 65 T C 2.658 177.057 174.700 -0.503 0.000 1.042 65 T CA 2.787 64.681 62.100 -0.344 0.000 1.140 65 T CB -0.436 68.249 68.868 -0.306 0.000 0.864 65 T HN 1.385 nan 8.240 nan 0.000 0.455 66 A N -0.147 122.350 122.820 -0.538 0.000 1.930 66 A HA -0.047 4.274 4.320 0.000 0.000 0.217 66 A C 2.115 179.569 177.584 -0.217 0.000 1.175 66 A CA 1.945 53.661 52.037 -0.535 0.000 0.627 66 A CB -1.120 17.666 19.000 -0.356 0.000 0.815 66 A HN 0.871 nan 8.150 nan 0.000 0.443 67 H N -1.055 117.856 119.070 -0.265 0.000 2.290 67 H HA -0.149 4.407 4.556 0.000 0.000 0.298 67 H C 2.030 177.240 175.328 -0.195 0.000 1.087 67 H CA 1.529 57.447 56.048 -0.216 0.000 1.291 67 H CB -0.077 29.579 29.762 -0.176 0.000 1.369 67 H HN 0.347 nan 8.280 nan 0.000 0.492 68 L N 0.843 121.951 121.223 -0.193 0.000 2.046 68 L HA -0.143 4.198 4.340 0.000 0.000 0.208 68 L C 2.351 179.096 176.870 -0.208 0.000 1.077 68 L CA 1.237 55.914 54.840 -0.270 0.000 0.747 68 L CB -0.860 41.010 42.059 -0.315 0.000 0.896 68 L HN 0.405 nan 8.230 nan 0.000 0.432 69 L N -0.140 120.937 121.223 -0.242 0.000 2.079 69 L HA -0.212 4.129 4.340 0.000 0.000 0.210 69 L C 2.689 179.545 176.870 -0.024 0.000 1.081 69 L CA 2.000 56.732 54.840 -0.179 0.000 0.752 69 L CB -0.837 41.083 42.059 -0.232 0.000 0.896 69 L HN 0.405 nan 8.230 nan 0.000 0.433 70 R N -0.731 119.741 120.500 -0.047 0.000 2.081 70 R HA -0.113 4.227 4.340 0.000 0.000 0.235 70 R C 2.150 178.406 176.300 -0.074 0.000 1.131 70 R CA 1.733 57.787 56.100 -0.076 0.000 0.960 70 R CB -0.298 29.955 30.300 -0.077 0.000 0.856 70 R HN 0.483 nan 8.270 nan 0.000 0.436 71 L N 0.077 121.276 121.223 -0.039 0.000 2.395 71 L HA 0.074 4.414 4.340 0.000 0.000 0.218 71 L C 2.142 178.991 176.870 -0.035 0.000 1.130 71 L CA 0.568 55.382 54.840 -0.042 0.000 0.826 71 L CB -0.223 41.804 42.059 -0.053 0.000 0.941 71 L HN 0.286 nan 8.230 nan 0.000 0.451 72 A N -0.030 122.780 122.820 -0.016 0.000 2.238 72 A HA -0.045 4.275 4.320 0.000 0.000 0.208 72 A C 2.349 179.997 177.584 0.107 0.000 1.177 72 A CA 0.891 52.955 52.037 0.044 0.000 0.804 72 A CB -0.325 18.712 19.000 0.063 0.000 0.823 72 A HN 0.468 nan 8.150 nan 0.000 0.482 73 S N 1.407 117.158 115.700 0.085 0.000 2.387 73 S HA -0.126 4.344 4.470 0.000 0.000 0.230 73 S C -0.258 174.386 174.600 0.073 0.000 1.035 73 S CA 1.503 59.776 58.200 0.122 0.000 1.014 73 S CB -1.479 61.747 63.200 0.043 0.000 0.836 73 S HN 0.621 nan 8.310 nan 0.000 0.466 74 P HA 0.287 nan 4.420 nan 0.000 0.249 74 P C 0.265 177.570 177.300 0.009 0.000 1.229 74 P CA -0.015 63.086 63.100 0.002 0.000 0.788 74 P CB -0.069 31.619 31.700 -0.020 0.000 1.072 75 L N 0.610 121.847 121.223 0.023 0.000 2.472 75 L HA 0.148 4.488 4.340 0.000 0.000 0.260 75 L C 1.434 178.297 176.870 -0.011 0.000 1.209 75 L CA -0.270 54.576 54.840 0.010 0.000 0.817 75 L CB 0.051 42.126 42.059 0.026 0.000 1.106 75 L HN -0.015 nan 8.230 nan 0.000 0.479 76 T N -1.170 113.373 114.554 -0.019 0.000 2.926 76 T HA 0.277 4.627 4.350 0.000 0.000 0.307 76 T C 0.115 174.775 174.700 -0.067 0.000 1.059 76 T CA -0.472 61.619 62.100 -0.014 0.000 1.122 76 T CB 0.833 69.712 68.868 0.019 0.000 0.972 76 T HN 0.791 nan 8.240 nan 0.000 0.545 77 T N 0.526 115.054 114.554 -0.043 0.000 2.905 77 T HA 0.481 4.831 4.350 0.000 0.000 0.283 77 T C 0.970 175.641 174.700 -0.048 0.000 1.031 77 T CA -1.171 60.882 62.100 -0.078 0.000 1.002 77 T CB 1.332 70.165 68.868 -0.058 0.000 1.200 77 T HN 0.589 nan 8.240 nan 0.000 0.560 78 K N -0.299 120.065 120.400 -0.060 0.000 2.283 78 K HA 0.108 4.428 4.320 0.000 0.000 0.202 78 K C 1.984 178.565 176.600 -0.032 0.000 1.048 78 K CA 1.059 57.321 56.287 -0.041 0.000 0.948 78 K CB -0.272 32.199 32.500 -0.048 0.000 0.742 78 K HN 0.745 nan 8.250 nan 0.000 0.458 79 G N 0.189 108.968 108.800 -0.035 0.000 2.724 79 G HA2 0.271 4.231 3.960 0.000 0.000 0.205 79 G HA3 0.271 4.231 3.960 0.000 0.000 0.205 79 G C -0.019 174.884 174.900 0.005 0.000 1.112 79 G CA 0.181 45.258 45.100 -0.038 0.000 0.793 79 G HN 0.266 nan 8.290 nan 0.000 0.526 80 A N 0.295 123.142 122.820 0.045 0.000 2.401 80 A HA 0.727 5.047 4.320 0.000 0.000 0.310 80 A C 0.068 177.708 177.584 0.094 0.000 1.075 80 A CA -0.039 52.067 52.037 0.116 0.000 0.746 80 A CB 1.430 20.581 19.000 0.251 0.000 1.277 80 A HN 0.740 nan 8.150 nan 0.000 0.425 81 S N 0.674 116.443 115.700 0.116 0.000 2.632 81 S HA 0.388 4.858 4.470 0.000 0.000 0.271 81 S C 1.249 175.911 174.600 0.103 0.000 1.260 81 S CA 0.334 58.604 58.200 0.116 0.000 1.010 81 S CB 1.383 64.679 63.200 0.160 0.000 0.965 81 S HN 1.265 nan 8.310 nan 0.000 0.534 82 S N 0.806 116.564 115.700 0.097 0.000 2.372 82 S HA -0.191 4.279 4.470 0.000 0.000 0.227 82 S C 1.435 176.081 174.600 0.077 0.000 1.044 82 S CA 1.890 60.133 58.200 0.071 0.000 1.050 82 S CB -0.965 62.287 63.200 0.087 0.000 0.901 82 S HN 0.735 nan 8.310 nan 0.000 0.447 83 F N 2.164 122.109 119.950 -0.009 0.000 2.075 83 F HA -0.022 4.505 4.527 0.000 0.000 0.297 83 F C 2.497 178.268 175.800 -0.048 0.000 1.113 83 F CA 2.137 60.125 58.000 -0.020 0.000 1.218 83 F CB -0.605 38.395 39.000 -0.000 0.000 0.984 83 F HN 0.121 nan 8.300 nan 0.000 0.472 84 R N 0.402 120.878 120.500 -0.042 0.000 2.148 84 R HA -0.093 4.247 4.340 0.000 0.000 0.227 84 R C 2.302 178.386 176.300 -0.359 0.000 1.103 84 R CA 1.495 57.485 56.100 -0.183 0.000 0.983 84 R CB -0.376 29.981 30.300 0.095 0.000 0.874 84 R HN 0.448 nan 8.270 nan 0.000 0.451 85 I N -0.228 120.159 120.570 -0.304 0.000 2.142 85 I HA -0.286 3.884 4.170 0.000 0.000 0.240 85 I C 1.972 177.740 176.117 -0.581 0.000 1.078 85 I CA 1.682 62.658 61.300 -0.540 0.000 1.343 85 I CB -0.410 37.471 38.000 -0.199 0.000 1.046 85 I HN 0.226 nan 8.210 nan 0.000 0.405 86 T N 0.378 114.711 114.554 -0.368 0.000 2.701 86 T HA -0.108 4.242 4.350 0.000 0.000 0.263 86 T C 2.068 176.544 174.700 -0.372 0.000 1.040 86 T CA 0.965 62.878 62.100 -0.312 0.000 1.147 86 T CB -0.153 68.588 68.868 -0.212 0.000 0.865 86 T HN 0.151 nan 8.240 nan 0.000 0.426 87 R N 0.943 121.145 120.500 -0.496 0.000 2.081 87 R HA 0.033 4.373 4.340 0.000 0.000 0.235 87 R C 2.798 178.891 176.300 -0.346 0.000 1.131 87 R CA 1.474 57.291 56.100 -0.471 0.000 0.960 87 R CB -1.468 28.379 30.300 -0.754 0.000 0.856 87 R HN 0.514 nan 8.270 nan 0.000 0.436 88 G N 1.144 109.702 108.800 -0.403 0.000 2.459 88 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 88 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 88 G C 1.659 176.434 174.900 -0.208 0.000 1.183 88 G CA 0.700 45.642 45.100 -0.264 0.000 0.776 88 G HN 0.252 nan 8.290 nan 0.000 0.552 89 I N 0.443 120.790 120.570 -0.373 0.000 2.226 89 I HA -0.132 4.038 4.170 0.000 0.000 0.245 89 I C 2.765 178.801 176.117 -0.135 0.000 1.100 89 I CA 1.200 62.390 61.300 -0.183 0.000 1.374 89 I CB -0.239 37.638 38.000 -0.205 0.000 1.057 89 I HN 0.262 nan 8.210 nan 0.000 0.413 90 E N 0.820 120.922 120.200 -0.164 0.000 2.204 90 E HA -0.176 4.174 4.350 0.000 0.000 0.194 90 E C 2.310 178.841 176.600 -0.115 0.000 0.989 90 E CA 0.985 57.311 56.400 -0.124 0.000 0.824 90 E CB -0.119 29.504 29.700 -0.129 0.000 0.756 90 E HN 0.500 nan 8.360 nan 0.000 0.477 91 A N 1.279 124.021 122.820 -0.129 0.000 1.948 91 A HA -0.151 4.169 4.320 0.000 0.000 0.220 91 A C 2.116 179.613 177.584 -0.145 0.000 1.177 91 A CA 1.625 53.593 52.037 -0.114 0.000 0.636 91 A CB -0.380 18.562 19.000 -0.097 0.000 0.815 91 A HN 0.214 nan 8.150 nan 0.000 0.449 92 V N -4.236 115.564 119.914 -0.190 0.000 2.933 92 V HA 0.616 4.736 4.120 0.000 0.000 0.374 92 V C 0.983 176.971 176.094 -0.176 0.000 1.321 92 V CA 0.061 62.158 62.300 -0.339 0.000 1.290 92 V CB -0.916 30.520 31.823 -0.644 0.000 1.346 92 V HN 1.331 nan 8.190 nan 0.000 0.560 93 G N 0.287 109.030 108.800 -0.095 0.000 2.309 93 G HA2 -0.209 3.751 3.960 0.000 0.000 0.286 93 G HA3 -0.209 3.751 3.960 0.000 0.000 0.286 93 G C 0.653 175.543 174.900 -0.016 0.000 1.002 93 G CA 0.573 45.649 45.100 -0.039 0.000 0.786 93 G HN 1.371 nan 8.290 nan 0.000 0.511 94 G N -0.896 107.888 108.800 -0.027 0.000 2.563 94 G HA2 0.782 4.742 3.960 0.000 0.000 0.283 94 G HA3 0.782 4.742 3.960 0.000 0.000 0.283 94 G C 0.270 175.168 174.900 -0.004 0.000 1.309 94 G CA 0.688 45.792 45.100 0.006 0.000 1.022 94 G HN 1.744 nan 8.290 nan 0.000 0.501 95 S N -1.964 113.743 115.700 0.013 0.000 2.579 95 S HA 0.657 5.127 4.470 0.000 0.000 0.272 95 S C -1.537 173.071 174.600 0.014 0.000 1.141 95 S CA -0.775 57.426 58.200 0.002 0.000 0.843 95 S CB 1.977 65.185 63.200 0.014 0.000 1.122 95 S HN 1.280 nan 8.310 nan 0.000 0.468 96 L N 1.685 122.903 121.223 -0.008 0.000 2.476 96 L HA 0.848 5.188 4.340 0.000 0.000 0.269 96 L C -0.836 176.004 176.870 -0.050 0.000 0.965 96 L CA 0.236 55.076 54.840 -0.000 0.000 0.845 96 L CB 1.785 43.844 42.059 0.001 0.000 1.259 96 L HN 1.176 nan 8.230 nan 0.000 0.403 97 S N 2.966 118.625 115.700 -0.068 0.000 2.651 97 S HA 0.950 5.420 4.470 0.000 0.000 0.279 97 S C -1.278 173.135 174.600 -0.313 0.000 1.148 97 S CA -0.808 57.256 58.200 -0.227 0.000 0.837 97 S CB 2.060 65.072 63.200 -0.314 0.000 1.138 97 S HN 0.503 nan 8.310 nan 0.000 0.478 98 V N 1.975 121.573 119.914 -0.526 0.000 2.567 98 V HA 0.451 4.571 4.120 0.000 0.000 0.298 98 V C -1.870 173.915 176.094 -0.515 0.000 1.047 98 V CA -0.553 61.431 62.300 -0.527 0.000 0.880 98 V CB 0.801 32.214 31.823 -0.683 0.000 1.009 98 V HN 0.887 nan 8.190 nan 0.000 0.429 99 Y N 2.144 122.319 120.300 -0.209 0.000 2.457 99 Y HA 0.821 5.371 4.550 0.000 0.000 0.333 99 Y C 0.643 176.467 175.900 -0.128 0.000 1.119 99 Y CA -0.745 57.273 58.100 -0.137 0.000 1.143 99 Y CB 2.240 40.643 38.460 -0.094 0.000 1.230 99 Y HN 0.705 nan 8.280 nan 0.000 0.469 100 S N -0.553 115.178 115.700 0.052 0.000 2.547 100 S HA 0.771 5.241 4.470 0.000 0.000 0.270 100 S C -0.728 173.884 174.600 0.020 0.000 1.150 100 S CA -0.764 57.449 58.200 0.023 0.000 0.850 100 S CB 1.603 64.787 63.200 -0.026 0.000 1.118 100 S HN 0.792 nan 8.310 nan 0.000 0.461 101 T N -0.791 113.799 114.554 0.059 0.000 2.841 101 T HA 0.556 4.906 4.350 0.000 0.000 0.276 101 T C 0.968 175.705 174.700 0.061 0.000 1.003 101 T CA -1.158 60.989 62.100 0.079 0.000 0.995 101 T CB 0.937 69.903 68.868 0.164 0.000 1.260 101 T HN 0.594 nan 8.240 nan 0.000 0.581 102 R N 0.855 121.388 120.500 0.056 0.000 2.193 102 R HA -0.040 4.300 4.340 0.000 0.000 0.229 102 R C 1.589 177.920 176.300 0.053 0.000 1.110 102 R CA 1.690 57.779 56.100 -0.019 0.000 0.988 102 R CB -0.270 29.928 30.300 -0.170 0.000 0.871 102 R HN 0.920 nan 8.270 nan 0.000 0.458 103 E N 0.754 121.028 120.200 0.124 0.000 2.676 103 E HA 0.087 4.437 4.350 0.000 0.000 0.222 103 E C -0.324 176.417 176.600 0.235 0.000 0.968 103 E CA -0.366 56.165 56.400 0.219 0.000 1.090 103 E CB 0.437 30.240 29.700 0.172 0.000 1.066 103 E HN 0.145 nan 8.360 nan 0.000 0.496 104 K N 0.690 121.198 120.400 0.181 0.000 2.527 104 K HA 0.554 4.874 4.320 0.000 0.000 0.260 104 K C -1.351 175.318 176.600 0.116 0.000 0.937 104 K CA -0.831 55.546 56.287 0.151 0.000 0.826 104 K CB 2.133 34.736 32.500 0.172 0.000 1.359 104 K HN -0.050 nan 8.250 nan 0.000 0.434 105 M N 1.950 121.601 119.600 0.085 0.000 2.326 105 M HA 0.330 4.810 4.480 0.000 0.000 0.306 105 M C -1.309 175.005 176.300 0.023 0.000 1.054 105 M CA -0.631 54.711 55.300 0.070 0.000 0.922 105 M CB 2.834 35.524 32.600 0.151 0.000 1.632 105 M HN 0.741 nan 8.290 nan 0.000 0.436 106 T N 2.237 116.767 114.554 -0.041 0.000 2.812 106 T HA 0.527 4.877 4.350 0.000 0.000 0.282 106 T C -1.414 173.245 174.700 -0.068 0.000 0.990 106 T CA -0.463 61.518 62.100 -0.199 0.000 0.960 106 T CB 0.682 69.268 68.868 -0.470 0.000 0.948 106 T HN 0.305 nan 8.240 nan 0.000 0.438 107 Y N 2.616 122.806 120.300 -0.184 0.000 2.402 107 Y HA 0.500 5.050 4.550 0.000 0.000 0.332 107 Y C 0.708 176.566 175.900 -0.069 0.000 0.960 107 Y CA -1.236 56.822 58.100 -0.070 0.000 1.228 107 Y CB 0.584 39.027 38.460 -0.029 0.000 1.120 107 Y HN 0.852 nan 8.280 nan 0.000 0.491 108 C N 1.903 121.261 119.300 0.097 0.000 2.707 108 C HA 0.994 5.455 4.460 0.000 0.000 0.313 108 C C -0.259 174.792 174.990 0.102 0.000 1.209 108 C CA -1.283 57.787 59.018 0.087 0.000 1.635 108 C CB 0.656 28.433 27.740 0.061 0.000 2.206 108 C HN 0.670 nan 8.230 nan 0.000 0.485 109 V N -0.888 119.083 119.914 0.096 0.000 2.735 109 V HA 0.764 4.884 4.120 0.000 0.000 0.310 109 V C -0.766 175.378 176.094 0.083 0.000 1.061 109 V CA -0.342 62.012 62.300 0.090 0.000 0.913 109 V CB 1.652 33.536 31.823 0.102 0.000 1.005 109 V HN 1.024 nan 8.190 nan 0.000 0.428 110 E N 1.908 122.153 120.200 0.074 0.000 2.277 110 E HA 0.838 5.188 4.350 0.000 0.000 0.266 110 E C -1.050 175.592 176.600 0.071 0.000 0.901 110 E CA -0.383 56.059 56.400 0.069 0.000 0.782 110 E CB 2.382 32.120 29.700 0.063 0.000 1.228 110 E HN 1.280 nan 8.360 nan 0.000 0.424 111 C N -0.925 118.421 119.300 0.078 0.000 3.045 111 C HA 0.329 4.789 4.460 0.000 0.000 0.338 111 C C -1.178 173.877 174.990 0.108 0.000 1.267 111 C CA -1.184 57.893 59.018 0.099 0.000 1.177 111 C CB -0.553 27.262 27.740 0.125 0.000 1.380 111 C HN 0.751 nan 8.230 nan 0.000 0.469 112 L N 2.465 123.776 121.223 0.147 0.000 2.456 112 L HA 0.281 4.621 4.340 0.000 0.000 0.272 112 L C 2.029 178.931 176.870 0.054 0.000 1.189 112 L CA -0.115 54.789 54.840 0.107 0.000 0.846 112 L CB 0.197 42.339 42.059 0.138 0.000 1.111 112 L HN 0.855 nan 8.230 nan 0.000 0.475 113 R N 1.263 121.771 120.500 0.013 0.000 2.189 113 R HA -0.233 4.107 4.340 0.000 0.000 0.252 113 R C 1.075 177.334 176.300 -0.069 0.000 1.134 113 R CA 2.147 58.240 56.100 -0.012 0.000 0.954 113 R CB -0.423 29.874 30.300 -0.004 0.000 0.890 113 R HN 0.705 nan 8.270 nan 0.000 0.443 114 D N -0.372 119.916 120.400 -0.186 0.000 2.403 114 D HA -0.094 4.547 4.640 0.000 0.000 0.227 114 D C 0.922 176.982 176.300 -0.399 0.000 0.995 114 D CA 1.024 54.840 54.000 -0.307 0.000 0.928 114 D CB -0.052 40.507 40.800 -0.401 0.000 0.887 114 D HN 0.464 nan 8.370 nan 0.000 0.529 115 H N -1.054 118.036 119.070 0.034 0.000 2.784 115 H HA 0.167 4.723 4.556 0.000 0.000 0.273 115 H C 2.015 177.368 175.328 0.042 0.000 1.112 115 H CA -0.105 55.967 56.048 0.039 0.000 1.162 115 H CB 0.498 30.286 29.762 0.043 0.000 1.586 115 H HN -0.036 nan 8.280 nan 0.000 0.548 116 V N 0.970 120.948 119.914 0.106 0.000 2.380 116 V HA -0.266 3.854 4.120 0.000 0.000 0.251 116 V C 2.001 178.141 176.094 0.077 0.000 1.063 116 V CA 1.983 64.333 62.300 0.083 0.000 1.055 116 V CB -0.091 31.759 31.823 0.045 0.000 0.657 116 V HN 0.376 nan 8.190 nan 0.000 0.455 117 D N 0.070 120.512 120.400 0.069 0.000 2.078 117 D HA -0.145 4.495 4.640 0.000 0.000 0.193 117 D C 2.243 178.567 176.300 0.040 0.000 0.990 117 D CA 2.120 56.154 54.000 0.058 0.000 0.827 117 D CB -0.495 40.336 40.800 0.053 0.000 0.975 117 D HN 0.433 nan 8.370 nan 0.000 0.451 118 T N 1.367 115.960 114.554 0.066 0.000 2.570 118 T HA -0.154 4.196 4.350 0.000 0.000 0.266 118 T C 2.272 176.987 174.700 0.026 0.000 1.071 118 T CA 1.359 63.484 62.100 0.042 0.000 1.172 118 T CB -0.707 68.234 68.868 0.121 0.000 0.864 118 T HN -0.047 nan 8.240 nan 0.000 0.421 119 V N 1.100 121.095 119.914 0.135 0.000 2.568 119 V HA -0.203 3.917 4.120 0.000 0.000 0.253 119 V C 2.419 178.588 176.094 0.124 0.000 1.072 119 V CA 1.721 64.141 62.300 0.200 0.000 1.084 119 V CB -0.641 31.279 31.823 0.162 0.000 0.676 119 V HN 0.366 nan 8.190 nan 0.000 0.469 120 M N 0.277 119.908 119.600 0.053 0.000 2.086 120 M HA -0.172 4.308 4.480 0.000 0.000 0.261 120 M C 2.140 178.425 176.300 -0.025 0.000 1.067 120 M CA 2.159 57.485 55.300 0.043 0.000 1.116 120 M CB -0.683 31.957 32.600 0.066 0.000 1.348 120 M HN 0.479 nan 8.290 nan 0.000 0.407 121 E N -1.088 119.009 120.200 -0.172 0.000 2.114 121 E HA -0.284 4.066 4.350 0.000 0.000 0.199 121 E C 1.859 178.279 176.600 -0.299 0.000 1.008 121 E CA 2.139 58.343 56.400 -0.325 0.000 0.810 121 E CB -0.442 28.928 29.700 -0.550 0.000 0.739 121 E HN 0.722 nan 8.360 nan 0.000 0.456 122 Y N -0.037 120.259 120.300 -0.006 0.000 2.133 122 Y HA -0.171 4.379 4.550 0.000 0.000 0.287 122 Y C 2.455 178.363 175.900 0.013 0.000 1.134 122 Y CA 0.662 58.759 58.100 -0.005 0.000 1.133 122 Y CB -0.389 38.069 38.460 -0.003 0.000 0.987 122 Y HN 0.148 nan 8.280 nan 0.000 0.502 123 L N 0.120 121.446 121.223 0.171 0.000 2.043 123 L HA -0.232 4.108 4.340 0.000 0.000 0.212 123 L C 2.179 179.086 176.870 0.063 0.000 1.075 123 L CA 1.437 56.353 54.840 0.126 0.000 0.752 123 L CB -0.925 41.202 42.059 0.112 0.000 0.891 123 L HN 0.283 nan 8.230 nan 0.000 0.432 124 L N -0.133 121.113 121.223 0.039 0.000 1.955 124 L HA -0.253 4.087 4.340 0.000 0.000 0.213 124 L C 2.395 179.257 176.870 -0.013 0.000 1.072 124 L CA 2.034 56.883 54.840 0.014 0.000 0.755 124 L CB -1.000 41.061 42.059 0.003 0.000 0.888 124 L HN 0.383 nan 8.230 nan 0.000 0.432 125 N N -0.480 118.205 118.700 -0.026 0.000 2.060 125 N HA -0.217 4.523 4.740 0.000 0.000 0.195 125 N C 1.824 177.321 175.510 -0.022 0.000 1.028 125 N CA 2.050 55.082 53.050 -0.030 0.000 0.861 125 N CB -0.393 38.091 38.487 -0.006 0.000 1.029 125 N HN 0.276 nan 8.380 nan 0.000 0.428 126 V N 1.088 121.016 119.914 0.023 0.000 2.287 126 V HA -0.229 3.892 4.120 0.000 0.000 0.248 126 V C 2.588 178.658 176.094 -0.039 0.000 1.053 126 V CA 2.332 64.651 62.300 0.032 0.000 1.027 126 V CB -1.064 30.843 31.823 0.140 0.000 0.646 126 V HN 0.579 nan 8.190 nan 0.000 0.447 127 T N -2.575 111.914 114.554 -0.109 0.000 3.043 127 T HA -0.076 4.274 4.350 0.000 0.000 0.263 127 T C 1.473 176.176 174.700 0.006 0.000 1.094 127 T CA 1.428 63.430 62.100 -0.163 0.000 1.127 127 T CB -0.151 68.539 68.868 -0.297 0.000 0.905 127 T HN 0.624 nan 8.240 nan 0.000 0.490 128 T N -2.375 112.165 114.554 -0.023 0.000 2.958 128 T HA 0.626 4.977 4.350 0.000 0.000 0.256 128 T C 1.151 175.826 174.700 -0.042 0.000 0.983 128 T CA 0.155 62.254 62.100 -0.003 0.000 0.924 128 T CB 0.220 69.094 68.868 0.010 0.000 1.136 128 T HN 0.411 nan 8.240 nan 0.000 0.506 129 A N 2.619 125.391 122.820 -0.080 0.000 2.705 129 A HA 0.559 4.879 4.320 0.000 0.000 0.294 129 A C -2.752 174.727 177.584 -0.174 0.000 1.039 129 A CA -1.242 50.735 52.037 -0.100 0.000 1.005 129 A CB 0.304 19.258 19.000 -0.076 0.000 1.192 129 A HN 0.381 nan 8.150 nan 0.000 0.513 130 P HA 0.138 nan 4.420 nan 0.000 0.271 130 P C -0.080 176.883 177.300 -0.562 0.000 1.218 130 P CA 0.354 63.101 63.100 -0.589 0.000 0.780 130 P CB 1.294 32.338 31.700 -1.093 0.000 0.901 131 E N 1.046 120.967 120.200 -0.465 0.000 2.473 131 E HA 0.132 4.482 4.350 0.000 0.000 0.204 131 E C 0.027 176.542 176.600 -0.142 0.000 0.994 131 E CA -0.290 55.991 56.400 -0.198 0.000 0.945 131 E CB -0.271 29.354 29.700 -0.124 0.000 0.990 131 E HN 0.427 nan 8.360 nan 0.000 0.493 132 F N 2.189 122.023 119.950 -0.193 0.000 2.805 132 F HA -0.299 4.228 4.527 0.000 0.000 0.217 132 F C 0.155 175.802 175.800 -0.255 0.000 1.035 132 F CA -0.117 57.722 58.000 -0.268 0.000 0.835 132 F CB -1.357 37.368 39.000 -0.459 0.000 0.687 132 F HN -0.032 nan 8.300 nan 0.000 0.844 133 R N 0.652 120.992 120.500 -0.267 0.000 2.504 133 R HA -0.073 4.267 4.340 0.000 0.000 0.291 133 R C -1.393 174.512 176.300 -0.657 0.000 0.974 133 R CA -0.886 54.791 56.100 -0.704 0.000 1.077 133 R CB -0.042 29.494 30.300 -1.273 0.000 0.926 133 R HN 0.044 nan 8.270 nan 0.000 0.407 134 P HA -0.237 nan 4.420 nan 0.000 0.217 134 P C 0.871 178.129 177.300 -0.069 0.000 1.162 134 P CA 1.623 64.635 63.100 -0.147 0.000 0.901 134 P CB -0.102 31.630 31.700 0.053 0.000 0.793 135 W N 0.583 121.895 121.300 0.019 0.000 2.335 135 W HA -0.103 4.557 4.660 0.000 0.000 0.311 135 W C 1.817 178.341 176.519 0.008 0.000 1.213 135 W CA 1.065 58.415 57.345 0.008 0.000 1.274 135 W CB -1.706 27.758 29.460 0.007 0.000 1.148 135 W HN -0.018 nan 8.180 nan 0.000 0.498 136 E N 0.873 120.911 120.200 -0.271 0.000 2.085 136 E HA -0.210 4.140 4.350 0.000 0.000 0.194 136 E C 2.235 178.787 176.600 -0.079 0.000 0.994 136 E CA 2.045 58.372 56.400 -0.121 0.000 0.801 136 E CB -0.406 29.159 29.700 -0.224 0.000 0.743 136 E HN 0.237 nan 8.360 nan 0.000 0.453 137 V N 1.182 121.020 119.914 -0.126 0.000 2.358 137 V HA -0.231 3.889 4.120 0.000 0.000 0.246 137 V C 2.297 178.347 176.094 -0.074 0.000 1.047 137 V CA 2.100 64.337 62.300 -0.106 0.000 1.035 137 V CB -0.730 31.011 31.823 -0.137 0.000 0.658 137 V HN 0.333 nan 8.190 nan 0.000 0.452 138 T N -0.286 114.249 114.554 -0.032 0.000 2.746 138 T HA -0.210 4.140 4.350 0.000 0.000 0.267 138 T C 1.606 176.302 174.700 -0.006 0.000 1.039 138 T CA 1.835 63.929 62.100 -0.009 0.000 1.142 138 T CB -0.411 68.481 68.868 0.039 0.000 0.866 138 T HN 0.452 nan 8.240 nan 0.000 0.444 139 D N 0.621 121.032 120.400 0.020 0.000 2.178 139 D HA -0.023 4.617 4.640 0.000 0.000 0.201 139 D C 1.829 178.123 176.300 -0.010 0.000 0.980 139 D CA 0.369 54.381 54.000 0.020 0.000 0.842 139 D CB -0.278 40.555 40.800 0.056 0.000 0.948 139 D HN 0.149 nan 8.370 nan 0.000 0.472 140 L N 0.521 121.726 121.223 -0.030 0.000 2.179 140 L HA -0.040 4.300 4.340 0.000 0.000 0.208 140 L C 1.831 178.652 176.870 -0.081 0.000 1.096 140 L CA 1.438 56.246 54.840 -0.052 0.000 0.779 140 L CB -0.396 41.625 42.059 -0.063 0.000 0.922 140 L HN -0.010 nan 8.230 nan 0.000 0.443 141 Q N 0.243 119.988 119.800 -0.093 0.000 2.152 141 Q HA -0.163 4.177 4.340 0.000 0.000 0.206 141 Q C -0.565 175.370 176.000 -0.107 0.000 0.985 141 Q CA 2.001 57.732 55.803 -0.120 0.000 0.863 141 Q CB -1.188 27.480 28.738 -0.117 0.000 0.904 141 Q HN 0.517 nan 8.270 nan 0.000 0.422 142 P HA -0.170 nan 4.420 nan 0.000 0.225 142 P C 0.997 178.257 177.300 -0.067 0.000 1.148 142 P CA 1.150 64.211 63.100 -0.064 0.000 0.779 142 P CB 0.116 31.791 31.700 -0.042 0.000 0.780 143 Q N 0.437 120.195 119.800 -0.070 0.000 2.170 143 Q HA -0.105 4.235 4.340 0.000 0.000 0.203 143 Q C 2.187 178.144 176.000 -0.071 0.000 0.976 143 Q CA 1.209 56.977 55.803 -0.059 0.000 0.858 143 Q CB -1.250 27.455 28.738 -0.055 0.000 0.907 143 Q HN 0.203 nan 8.270 nan 0.000 0.433 144 L N -0.106 121.034 121.223 -0.139 0.000 2.079 144 L HA -0.247 4.094 4.340 0.000 0.000 0.210 144 L C 2.342 179.166 176.870 -0.076 0.000 1.081 144 L CA 1.559 56.278 54.840 -0.201 0.000 0.752 144 L CB -0.416 41.443 42.059 -0.333 0.000 0.896 144 L HN 0.185 nan 8.230 nan 0.000 0.433 145 K N -0.409 119.944 120.400 -0.079 0.000 2.026 145 K HA -0.140 4.180 4.320 0.000 0.000 0.208 145 K C 2.051 178.622 176.600 -0.049 0.000 1.048 145 K CA 1.404 57.650 56.287 -0.070 0.000 0.929 145 K CB -0.211 32.249 32.500 -0.067 0.000 0.713 145 K HN 0.095 nan 8.250 nan 0.000 0.439 146 V N 1.516 121.411 119.914 -0.031 0.000 2.261 146 V HA -0.271 3.849 4.120 0.000 0.000 0.246 146 V C 1.940 178.039 176.094 0.008 0.000 1.047 146 V CA 2.182 64.472 62.300 -0.016 0.000 1.015 146 V CB -0.528 31.288 31.823 -0.012 0.000 0.642 146 V HN 0.359 nan 8.190 nan 0.000 0.446 147 D N 0.084 120.510 120.400 0.044 0.000 2.106 147 D HA -0.255 4.385 4.640 0.000 0.000 0.191 147 D C 2.241 178.598 176.300 0.095 0.000 0.997 147 D CA 1.872 55.940 54.000 0.112 0.000 0.834 147 D CB -0.192 40.749 40.800 0.234 0.000 0.956 147 D HN 0.356 nan 8.370 nan 0.000 0.448 148 K N -0.474 119.982 120.400 0.093 0.000 2.097 148 K HA -0.124 4.196 4.320 0.000 0.000 0.206 148 K C 1.977 178.489 176.600 -0.146 0.000 1.049 148 K CA 1.165 57.402 56.287 -0.083 0.000 0.933 148 K CB -0.173 32.269 32.500 -0.096 0.000 0.717 148 K HN 0.162 nan 8.250 nan 0.000 0.442 149 A N 0.774 123.541 122.820 -0.089 0.000 1.877 149 A HA -0.135 4.185 4.320 0.000 0.000 0.216 149 A C 2.232 179.815 177.584 -0.001 0.000 1.186 149 A CA 1.874 53.877 52.037 -0.057 0.000 0.620 149 A CB -0.864 18.109 19.000 -0.044 0.000 0.822 149 A HN 0.296 nan 8.150 nan 0.000 0.443 150 V N -2.428 117.484 119.914 -0.003 0.000 2.453 150 V HA 0.005 4.125 4.120 0.000 0.000 0.247 150 V C 2.507 178.599 176.094 -0.003 0.000 1.048 150 V CA 1.740 64.042 62.300 0.003 0.000 1.049 150 V CB -1.432 30.394 31.823 0.006 0.000 0.672 150 V HN 0.516 nan 8.190 nan 0.000 0.457 151 A N 0.204 123.005 122.820 -0.032 0.000 1.877 151 A HA -0.087 4.233 4.320 0.000 0.000 0.216 151 A C 1.849 179.380 177.584 -0.088 0.000 1.186 151 A CA 1.960 53.933 52.037 -0.106 0.000 0.620 151 A CB -1.057 17.703 19.000 -0.401 0.000 0.822 151 A HN 0.563 nan 8.150 nan 0.000 0.443 152 F N 1.004 120.795 119.950 -0.265 0.000 2.773 152 F HA -0.043 4.484 4.527 0.000 0.000 0.299 152 F C 2.282 178.014 175.800 -0.114 0.000 1.204 152 F CA 0.699 58.589 58.000 -0.184 0.000 1.454 152 F CB -0.374 38.528 39.000 -0.163 0.000 1.117 152 F HN 0.399 nan 8.300 nan 0.000 0.590 153 Q N -0.973 118.835 119.800 0.013 0.000 2.311 153 Q HA -0.004 4.337 4.340 0.000 0.000 0.203 153 Q C 0.572 176.531 176.000 -0.068 0.000 0.954 153 Q CA 0.594 56.389 55.803 -0.013 0.000 0.885 153 Q CB -0.068 28.663 28.738 -0.011 0.000 0.963 153 Q HN 0.168 nan 8.270 nan 0.000 0.471 154 S N 2.263 117.900 115.700 -0.105 0.000 2.439 154 S HA 0.139 4.610 4.470 0.000 0.000 0.282 154 S C -1.928 172.545 174.600 -0.211 0.000 1.170 154 S CA -1.119 57.005 58.200 -0.128 0.000 1.054 154 S CB 1.257 64.390 63.200 -0.110 0.000 0.956 154 S HN 0.030 nan 8.310 nan 0.000 0.490 155 P HA -0.205 nan 4.420 nan 0.000 0.218 155 P C 1.740 178.841 177.300 -0.333 0.000 1.148 155 P CA 0.773 63.626 63.100 -0.412 0.000 0.822 155 P CB 0.144 31.325 31.700 -0.866 0.000 0.784 156 Q N 0.133 119.807 119.800 -0.210 0.000 1.978 156 Q HA -0.251 4.090 4.340 0.000 0.000 0.211 156 Q C 2.029 177.944 176.000 -0.143 0.000 1.013 156 Q CA 2.453 58.205 55.803 -0.085 0.000 0.869 156 Q CB -1.171 27.500 28.738 -0.111 0.000 0.953 156 Q HN 0.043 nan 8.270 nan 0.000 0.415 157 V N 0.700 120.476 119.914 -0.230 0.000 2.370 157 V HA -0.265 3.855 4.120 0.000 0.000 0.252 157 V C 2.171 177.975 176.094 -0.484 0.000 1.068 157 V CA 2.609 64.713 62.300 -0.326 0.000 1.061 157 V CB -1.024 30.532 31.823 -0.445 0.000 0.656 157 V HN 0.677 nan 8.190 nan 0.000 0.455 158 G N -0.653 107.803 108.800 -0.574 0.000 2.404 158 G HA2 -0.205 3.755 3.960 0.000 0.000 0.215 158 G HA3 -0.205 3.755 3.960 0.000 0.000 0.215 158 G C 1.674 176.490 174.900 -0.141 0.000 1.174 158 G CA 1.415 46.235 45.100 -0.465 0.000 0.780 158 G HN 0.752 nan 8.290 nan 0.000 0.537 159 V N -0.863 119.008 119.914 -0.072 0.000 2.667 159 V HA 0.099 4.219 4.120 0.000 0.000 0.252 159 V C 2.610 178.732 176.094 0.047 0.000 1.065 159 V CA 1.013 63.321 62.300 0.013 0.000 1.083 159 V CB -0.489 31.371 31.823 0.061 0.000 0.692 159 V HN 0.301 nan 8.190 nan 0.000 0.468 160 L N -0.353 120.897 121.223 0.045 0.000 2.201 160 L HA -0.031 4.310 4.340 0.000 0.000 0.212 160 L C 3.008 179.976 176.870 0.163 0.000 1.105 160 L CA 1.422 56.328 54.840 0.110 0.000 0.775 160 L CB -0.624 41.491 42.059 0.093 0.000 0.913 160 L HN 0.369 nan 8.230 nan 0.000 0.440 161 E N 0.370 120.610 120.200 0.067 0.000 2.028 161 E HA -0.161 4.189 4.350 0.000 0.000 0.191 161 E C 1.884 178.581 176.600 0.162 0.000 0.988 161 E CA 0.934 57.395 56.400 0.101 0.000 0.799 161 E CB -0.271 29.511 29.700 0.138 0.000 0.755 161 E HN 0.492 nan 8.360 nan 0.000 0.447 162 N N 1.140 119.916 118.700 0.127 0.000 2.166 162 N HA -0.149 4.591 4.740 0.000 0.000 0.186 162 N C 1.997 177.578 175.510 0.118 0.000 1.019 162 N CA 0.495 53.616 53.050 0.118 0.000 0.856 162 N CB -0.358 38.170 38.487 0.068 0.000 0.993 162 N HN 0.066 nan 8.380 nan 0.000 0.426 163 L N 1.233 122.528 121.223 0.119 0.000 1.970 163 L HA -0.175 4.165 4.340 0.000 0.000 0.212 163 L C 1.847 178.806 176.870 0.148 0.000 1.071 163 L CA 1.917 56.800 54.840 0.072 0.000 0.751 163 L CB -0.912 41.164 42.059 0.028 0.000 0.889 163 L HN 0.178 nan 8.230 nan 0.000 0.432 164 H N -0.834 118.327 119.070 0.153 0.000 2.457 164 H HA -0.007 4.549 4.556 0.000 0.000 0.297 164 H C 2.049 177.534 175.328 0.262 0.000 1.092 164 H CA 1.195 57.401 56.048 0.264 0.000 1.309 164 H CB -0.412 29.476 29.762 0.211 0.000 1.382 164 H HN 0.495 nan 8.280 nan 0.000 0.535 165 A N 0.029 123.036 122.820 0.312 0.000 2.067 165 A HA 0.199 4.519 4.320 0.000 0.000 0.217 165 A C 2.325 180.130 177.584 0.368 0.000 1.156 165 A CA 1.070 53.281 52.037 0.290 0.000 0.683 165 A CB -0.359 18.782 19.000 0.234 0.000 0.808 165 A HN 0.440 nan 8.150 nan 0.000 0.455 166 A N -0.663 122.275 122.820 0.197 0.000 1.997 166 A HA 0.499 4.819 4.320 0.000 0.000 0.212 166 A C 2.316 179.792 177.584 -0.180 0.000 1.178 166 A CA 1.164 53.181 52.037 -0.032 0.000 0.698 166 A CB -0.621 18.244 19.000 -0.224 0.000 0.842 166 A HN 0.786 nan 8.150 nan 0.000 0.458 167 A N -1.095 121.608 122.820 -0.194 0.000 1.930 167 A HA 0.257 4.577 4.320 0.000 0.000 0.217 167 A C 0.839 177.913 177.584 -0.849 0.000 1.175 167 A CA 0.853 52.499 52.037 -0.651 0.000 0.627 167 A CB -0.352 18.326 19.000 -0.535 0.000 0.815 167 A HN 0.489 nan 8.150 nan 0.000 0.443 168 Y N -2.208 118.071 120.300 -0.036 0.000 2.659 168 Y HA 0.526 5.076 4.550 0.000 0.000 0.333 168 Y C 1.057 177.029 175.900 0.119 0.000 1.064 168 Y CA -0.900 57.218 58.100 0.031 0.000 1.141 168 Y CB 1.504 39.978 38.460 0.022 0.000 1.316 168 Y HN -0.113 nan 8.280 nan 0.000 0.509 169 K N -0.401 120.119 120.400 0.199 0.000 2.370 169 K HA 0.190 4.510 4.320 0.000 0.000 0.194 169 K C -0.147 176.464 176.600 0.018 0.000 1.070 169 K CA 0.725 57.005 56.287 -0.012 0.000 0.998 169 K CB 0.742 33.186 32.500 -0.094 0.000 0.911 169 K HN 0.817 nan 8.250 nan 0.000 0.533 170 T N -3.996 110.610 114.554 0.086 0.000 2.778 170 T HA 0.657 5.007 4.350 0.000 0.000 0.293 170 T C 0.780 175.470 174.700 -0.018 0.000 1.144 170 T CA -0.375 61.742 62.100 0.028 0.000 1.010 170 T CB 1.723 70.596 68.868 0.009 0.000 1.325 170 T HN 0.001 nan 8.240 nan 0.000 0.515 171 A N 0.655 123.436 122.820 -0.066 0.000 2.821 171 A HA -0.262 4.058 4.320 0.000 0.000 0.370 171 A C 1.833 179.296 177.584 -0.201 0.000 1.684 171 A CA 2.503 54.452 52.037 -0.146 0.000 0.999 171 A CB -2.302 16.578 19.000 -0.201 0.000 1.490 171 A HN 1.135 nan 8.150 nan 0.000 0.672 172 L N -0.267 120.730 121.223 -0.377 0.000 2.456 172 L HA 0.018 4.358 4.340 0.000 0.000 0.224 172 L C 2.848 179.589 176.870 -0.214 0.000 1.148 172 L CA 0.956 55.483 54.840 -0.522 0.000 0.825 172 L CB -0.549 40.801 42.059 -1.182 0.000 0.937 172 L HN 0.744 nan 8.230 nan 0.000 0.450 173 A N -0.666 122.124 122.820 -0.051 0.000 2.016 173 A HA -0.045 4.275 4.320 0.000 0.000 0.217 173 A C 0.979 178.622 177.584 0.099 0.000 1.162 173 A CA 0.335 52.459 52.037 0.144 0.000 0.662 173 A CB -0.339 18.764 19.000 0.172 0.000 0.812 173 A HN 0.355 nan 8.150 nan 0.000 0.450 174 N N 1.483 120.201 118.700 0.030 0.000 2.412 174 N HA 0.151 4.891 4.740 0.000 0.000 0.254 174 N C -2.589 172.937 175.510 0.027 0.000 1.232 174 N CA -0.959 52.111 53.050 0.033 0.000 0.880 174 N CB 0.165 38.660 38.487 0.014 0.000 1.076 174 N HN 0.315 nan 8.380 nan 0.000 0.458 175 P HA -0.001 nan 4.420 nan 0.000 0.272 175 P C 0.719 178.020 177.300 0.002 0.000 1.223 175 P CA -0.426 62.712 63.100 0.063 0.000 0.784 175 P CB 0.943 32.721 31.700 0.129 0.000 0.923 176 L N 1.579 122.782 121.223 -0.034 0.000 2.418 176 L HA 0.167 4.508 4.340 0.000 0.000 0.218 176 L C 0.148 176.743 176.870 -0.458 0.000 1.125 176 L CA 0.783 55.487 54.840 -0.226 0.000 0.835 176 L CB -0.798 41.094 42.059 -0.278 0.000 0.953 176 L HN 0.254 nan 8.230 nan 0.000 0.454 177 Y N -1.522 118.758 120.300 -0.033 0.000 2.341 177 Y HA 0.290 4.840 4.550 0.000 0.000 0.338 177 Y C 0.431 176.413 175.900 0.136 0.000 0.965 177 Y CA -1.009 57.077 58.100 -0.025 0.000 1.108 177 Y CB 1.000 39.507 38.460 0.078 0.000 1.180 177 Y HN -0.172 nan 8.280 nan 0.000 0.458 178 C N 8.057 127.637 119.300 0.467 0.000 2.298 178 C HA 0.035 4.496 4.460 0.000 0.000 0.395 178 C C -1.716 173.286 174.990 0.020 0.000 1.526 178 C CA -1.271 57.828 59.018 0.133 0.000 1.458 178 C CB -0.750 26.975 27.740 -0.024 0.000 2.506 178 C HN 0.532 nan 8.230 nan 0.000 0.604 179 P HA 0.107 nan 4.420 nan 0.000 0.269 179 P C 0.412 177.613 177.300 -0.165 0.000 1.215 179 P CA 0.294 63.337 63.100 -0.095 0.000 0.780 179 P CB 0.589 32.222 31.700 -0.111 0.000 0.898 180 D N 1.217 121.569 120.400 -0.080 0.000 2.104 180 D HA -0.199 4.441 4.640 0.000 0.000 0.194 180 D C 1.816 178.086 176.300 -0.050 0.000 0.994 180 D CA 1.794 55.754 54.000 -0.067 0.000 0.830 180 D CB -1.102 39.682 40.800 -0.028 0.000 0.959 180 D HN 0.611 nan 8.370 nan 0.000 0.452 181 Y N 0.520 120.801 120.300 -0.031 0.000 2.556 181 Y HA -0.018 4.532 4.550 0.000 0.000 0.290 181 Y C 1.710 177.592 175.900 -0.031 0.000 1.149 181 Y CA 0.880 58.963 58.100 -0.027 0.000 1.329 181 Y CB -0.336 38.113 38.460 -0.018 0.000 0.975 181 Y HN -0.170 nan 8.280 nan 0.000 0.561 182 R N 0.294 120.474 120.500 -0.532 0.000 2.397 182 R HA 0.216 4.557 4.340 0.000 0.000 0.241 182 R C -0.161 175.999 176.300 -0.235 0.000 0.914 182 R CA -0.289 55.556 56.100 -0.427 0.000 1.071 182 R CB 0.399 30.336 30.300 -0.604 0.000 1.116 182 R HN 0.202 nan 8.270 nan 0.000 0.524 183 I N 1.303 121.762 120.570 -0.186 0.000 2.587 183 I HA -0.007 4.163 4.170 0.000 0.000 0.284 183 I C 1.408 177.458 176.117 -0.112 0.000 1.134 183 I CA 1.207 62.416 61.300 -0.150 0.000 1.410 183 I CB 0.203 38.129 38.000 -0.123 0.000 1.392 183 I HN 0.524 nan 8.210 nan 0.000 0.545 184 G N 6.143 114.874 108.800 -0.116 0.000 2.195 184 G HA2 -0.295 3.665 3.960 0.000 0.000 0.246 184 G HA3 -0.295 3.665 3.960 0.000 0.000 0.246 184 G C 1.008 175.863 174.900 -0.075 0.000 0.984 184 G CA 0.100 45.149 45.100 -0.084 0.000 0.633 184 G HN 0.599 nan 8.290 nan 0.000 0.525 185 K N -0.268 120.078 120.400 -0.089 0.000 2.353 185 K HA 0.393 4.713 4.320 0.000 0.000 0.195 185 K C 1.052 177.600 176.600 -0.088 0.000 1.031 185 K CA -0.239 56.007 56.287 -0.068 0.000 1.079 185 K CB 0.673 33.145 32.500 -0.047 0.000 0.857 185 K HN 0.457 nan 8.250 nan 0.000 0.535 186 I N 2.558 123.052 120.570 -0.127 0.000 2.692 186 I HA -0.058 4.112 4.170 0.000 0.000 0.284 186 I C 0.929 176.961 176.117 -0.141 0.000 1.159 186 I CA 0.162 61.373 61.300 -0.149 0.000 1.423 186 I CB 0.782 38.661 38.000 -0.201 0.000 1.380 186 I HN 0.123 nan 8.210 nan 0.000 0.580 187 T N 0.462 114.931 114.554 -0.141 0.000 2.927 187 T HA 0.298 4.648 4.350 0.000 0.000 0.286 187 T C 0.779 175.373 174.700 -0.176 0.000 1.040 187 T CA -0.753 61.270 62.100 -0.128 0.000 1.010 187 T CB 1.704 70.518 68.868 -0.089 0.000 1.177 187 T HN 0.466 nan 8.240 nan 0.000 0.546 188 S N 0.230 115.855 115.700 -0.126 0.000 2.383 188 S HA -0.056 4.414 4.470 0.000 0.000 0.227 188 S C 1.859 176.441 174.600 -0.029 0.000 1.026 188 S CA 1.175 59.319 58.200 -0.093 0.000 0.981 188 S CB -0.495 62.727 63.200 0.036 0.000 0.818 188 S HN 0.817 nan 8.310 nan 0.000 0.472 189 E N 1.727 121.874 120.200 -0.087 0.000 2.077 189 E HA -0.130 4.220 4.350 0.000 0.000 0.193 189 E C 2.221 178.569 176.600 -0.419 0.000 0.989 189 E CA 1.062 57.297 56.400 -0.274 0.000 0.800 189 E CB -0.269 29.239 29.700 -0.320 0.000 0.746 189 E HN 0.530 nan 8.360 nan 0.000 0.452 190 Q N -0.168 119.485 119.800 -0.245 0.000 2.084 190 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 190 Q C 2.247 178.170 176.000 -0.128 0.000 0.978 190 Q CA 1.006 56.723 55.803 -0.143 0.000 0.844 190 Q CB -0.130 28.539 28.738 -0.115 0.000 0.898 190 Q HN 0.321 nan 8.270 nan 0.000 0.426 191 L N -0.841 120.196 121.223 -0.310 0.000 2.056 191 L HA -0.184 4.156 4.340 0.000 0.000 0.207 191 L C 2.133 178.874 176.870 -0.214 0.000 1.078 191 L CA 1.227 55.734 54.840 -0.556 0.000 0.749 191 L CB -0.433 40.769 42.059 -1.427 0.000 0.901 191 L HN 0.285 nan 8.230 nan 0.000 0.433 192 H N -1.474 117.616 119.070 0.034 0.000 2.293 192 H HA -0.152 4.404 4.556 0.000 0.000 0.300 192 H C 2.397 177.856 175.328 0.218 0.000 1.082 192 H CA 1.717 57.902 56.048 0.229 0.000 1.308 192 H CB 0.077 29.935 29.762 0.161 0.000 1.375 192 H HN 0.262 nan 8.280 nan 0.000 0.495 193 H N -0.851 118.334 119.070 0.193 0.000 2.387 193 H HA -0.149 4.407 4.556 0.000 0.000 0.299 193 H C 2.042 177.417 175.328 0.079 0.000 1.099 193 H CA 1.339 57.454 56.048 0.111 0.000 1.315 193 H CB -0.788 29.026 29.762 0.087 0.000 1.380 193 H HN 0.325 nan 8.280 nan 0.000 0.513 194 F N 0.723 120.722 119.950 0.080 0.000 2.075 194 F HA -0.203 4.324 4.527 0.000 0.000 0.297 194 F C 2.402 178.148 175.800 -0.090 0.000 1.113 194 F CA 1.052 59.047 58.000 -0.008 0.000 1.218 194 F CB -0.447 38.508 39.000 -0.076 0.000 0.984 194 F HN -0.103 nan 8.300 nan 0.000 0.472 195 V N 0.401 120.329 119.914 0.023 0.000 2.392 195 V HA -0.339 3.782 4.120 0.000 0.000 0.249 195 V C 2.155 178.180 176.094 -0.115 0.000 1.059 195 V CA 2.264 64.355 62.300 -0.349 0.000 1.051 195 V CB -0.819 30.810 31.823 -0.324 0.000 0.658 195 V HN 0.449 nan 8.190 nan 0.000 0.455 196 Q N 0.074 119.882 119.800 0.014 0.000 2.123 196 Q HA -0.104 4.236 4.340 0.000 0.000 0.199 196 Q C 1.525 177.523 176.000 -0.003 0.000 0.966 196 Q CA 1.318 57.143 55.803 0.037 0.000 0.845 196 Q CB -0.188 28.596 28.738 0.076 0.000 0.907 196 Q HN 0.634 nan 8.270 nan 0.000 0.439 197 N N 0.025 118.693 118.700 -0.053 0.000 2.322 197 N HA 0.062 4.802 4.740 0.000 0.000 0.194 197 N C 0.300 175.723 175.510 -0.146 0.000 1.126 197 N CA 0.313 53.310 53.050 -0.088 0.000 0.845 197 N CB 0.435 38.864 38.487 -0.096 0.000 0.976 197 N HN 0.284 nan 8.380 nan 0.000 0.475 198 N N -0.400 118.223 118.700 -0.128 0.000 2.297 198 N HA 0.077 4.817 4.740 0.000 0.000 0.247 198 N C -0.477 175.123 175.510 0.149 0.000 1.138 198 N CA -0.007 52.966 53.050 -0.128 0.000 0.813 198 N CB 0.250 38.500 38.487 -0.395 0.000 1.496 198 N HN -0.030 nan 8.380 nan 0.000 0.480 199 F N 3.381 123.265 119.950 -0.110 0.000 2.666 199 F HA 0.202 4.730 4.527 0.000 0.000 0.362 199 F C 0.963 176.735 175.800 -0.046 0.000 1.190 199 F CA -0.613 57.353 58.000 -0.057 0.000 1.328 199 F CB -0.976 38.008 39.000 -0.027 0.000 1.682 199 F HN -0.183 nan 8.300 nan 0.000 0.623 200 T N -3.457 111.150 114.554 0.088 0.000 2.867 200 T HA 0.251 4.602 4.350 0.000 0.000 0.282 200 T C 1.363 176.075 174.700 0.020 0.000 1.000 200 T CA -0.167 61.960 62.100 0.045 0.000 1.042 200 T CB 1.687 70.568 68.868 0.022 0.000 0.973 200 T HN 0.305 nan 8.240 nan 0.000 0.465 201 S N 1.919 117.632 115.700 0.021 0.000 2.423 201 S HA -0.186 4.284 4.470 0.000 0.000 0.238 201 S C 1.906 176.510 174.600 0.007 0.000 1.028 201 S CA 0.847 59.054 58.200 0.012 0.000 1.000 201 S CB -0.911 62.297 63.200 0.014 0.000 0.797 201 S HN 1.137 nan 8.310 nan 0.000 0.487 202 A N 0.553 123.378 122.820 0.008 0.000 2.307 202 A HA 0.420 4.741 4.320 0.000 0.000 0.218 202 A C 1.837 179.426 177.584 0.008 0.000 1.228 202 A CA -0.314 51.728 52.037 0.009 0.000 0.857 202 A CB -0.074 18.934 19.000 0.013 0.000 0.897 202 A HN 0.570 nan 8.150 nan 0.000 0.495 203 R N -1.463 119.034 120.500 -0.005 0.000 2.531 203 R HA 0.408 4.748 4.340 0.000 0.000 0.316 203 R C -0.381 175.900 176.300 -0.032 0.000 0.955 203 R CA 0.023 56.113 56.100 -0.016 0.000 1.120 203 R CB 0.483 30.757 30.300 -0.043 0.000 1.361 203 R HN 0.404 nan 8.270 nan 0.000 0.534 204 M N 0.183 119.769 119.600 -0.023 0.000 2.664 204 M HA 0.615 5.095 4.480 0.000 0.000 0.314 204 M C -1.001 175.312 176.300 0.022 0.000 1.200 204 M CA -0.833 54.453 55.300 -0.022 0.000 0.916 204 M CB 2.485 35.054 32.600 -0.051 0.000 1.717 204 M HN -0.030 nan 8.290 nan 0.000 0.470 205 A N 2.125 124.985 122.820 0.067 0.000 2.427 205 A HA 0.710 5.030 4.320 0.000 0.000 0.298 205 A C -1.790 175.877 177.584 0.138 0.000 1.036 205 A CA -0.585 51.498 52.037 0.078 0.000 0.701 205 A CB 1.267 20.297 19.000 0.050 0.000 1.250 205 A HN 0.742 nan 8.150 nan 0.000 0.412 206 L N 4.046 125.320 121.223 0.084 0.000 2.353 206 L HA 0.532 4.872 4.340 0.000 0.000 0.269 206 L C -0.778 176.146 176.870 0.090 0.000 1.085 206 L CA -0.094 54.802 54.840 0.093 0.000 0.938 206 L CB 0.584 42.661 42.059 0.030 0.000 1.312 206 L HN 0.433 nan 8.230 nan 0.000 0.429 207 V N 3.208 123.229 119.914 0.178 0.000 2.644 207 V HA 0.870 4.990 4.120 0.000 0.000 0.295 207 V C 0.773 176.946 176.094 0.131 0.000 1.053 207 V CA -0.126 62.246 62.300 0.120 0.000 0.987 207 V CB 1.227 33.091 31.823 0.068 0.000 1.006 207 V HN 0.806 nan 8.190 nan 0.000 0.472 208 G N 3.386 112.226 108.800 0.066 0.000 2.706 208 G HA2 0.750 4.710 3.960 0.000 0.000 0.297 208 G HA3 0.750 4.710 3.960 0.000 0.000 0.297 208 G C -1.529 173.384 174.900 0.022 0.000 1.403 208 G CA -0.548 44.583 45.100 0.052 0.000 0.954 208 G HN 0.554 nan 8.290 nan 0.000 0.500 209 I N 0.396 120.977 120.570 0.018 0.000 2.689 209 I HA 0.559 4.729 4.170 0.000 0.000 0.299 209 I C 1.042 177.145 176.117 -0.022 0.000 1.059 209 I CA -0.214 61.080 61.300 -0.010 0.000 1.055 209 I CB 2.267 40.269 38.000 0.003 0.000 1.243 209 I HN 1.046 nan 8.210 nan 0.000 0.425 210 G N 3.897 112.661 108.800 -0.061 0.000 2.160 210 G HA2 -0.155 3.806 3.960 0.000 0.000 0.251 210 G HA3 -0.155 3.806 3.960 0.000 0.000 0.251 210 G C -0.219 174.638 174.900 -0.070 0.000 1.008 210 G CA 0.337 45.395 45.100 -0.070 0.000 0.724 210 G HN 0.814 nan 8.290 nan 0.000 0.514 211 V N -4.278 115.588 119.914 -0.080 0.000 3.158 211 V HA 0.893 5.013 4.120 0.000 0.000 0.311 211 V C -0.018 176.029 176.094 -0.078 0.000 1.181 211 V CA -1.312 60.950 62.300 -0.062 0.000 1.054 211 V CB 2.097 33.900 31.823 -0.033 0.000 1.085 211 V HN 0.384 nan 8.190 nan 0.000 0.446 212 K N -0.268 120.101 120.400 -0.053 0.000 2.235 212 K HA 0.367 4.688 4.320 0.000 0.000 0.266 212 K C 0.739 177.339 176.600 0.000 0.000 0.980 212 K CA -0.530 55.739 56.287 -0.030 0.000 0.849 212 K CB 1.122 33.609 32.500 -0.021 0.000 1.098 212 K HN 0.956 nan 8.250 nan 0.000 0.445 213 H N 2.035 121.066 119.070 -0.064 0.000 2.321 213 H HA -0.222 4.334 4.556 0.000 0.000 0.295 213 H C 1.793 177.092 175.328 -0.047 0.000 1.102 213 H CA 3.058 59.073 56.048 -0.054 0.000 1.266 213 H CB 0.247 29.977 29.762 -0.053 0.000 1.363 213 H HN 0.763 nan 8.280 nan 0.000 0.492 214 S N -0.362 115.365 115.700 0.046 0.000 2.387 214 S HA -0.211 4.259 4.470 0.000 0.000 0.230 214 S C 1.850 176.403 174.600 -0.077 0.000 1.035 214 S CA 1.527 59.719 58.200 -0.012 0.000 1.014 214 S CB -0.184 63.021 63.200 0.009 0.000 0.836 214 S HN 0.483 nan 8.310 nan 0.000 0.466 215 D N 1.416 121.774 120.400 -0.071 0.000 2.075 215 D HA -0.015 4.625 4.640 0.000 0.000 0.196 215 D C 2.019 178.245 176.300 -0.122 0.000 0.985 215 D CA 1.198 55.148 54.000 -0.083 0.000 0.834 215 D CB -0.478 40.291 40.800 -0.052 0.000 0.987 215 D HN 0.316 nan 8.370 nan 0.000 0.452 216 L N 1.758 122.899 121.223 -0.135 0.000 2.043 216 L HA -0.197 4.143 4.340 0.000 0.000 0.212 216 L C 2.259 179.003 176.870 -0.209 0.000 1.075 216 L CA 1.802 56.551 54.840 -0.152 0.000 0.752 216 L CB -0.481 41.486 42.059 -0.153 0.000 0.891 216 L HN -0.081 nan 8.230 nan 0.000 0.432 217 K N -1.007 119.211 120.400 -0.304 0.000 2.063 217 K HA -0.289 4.031 4.320 0.000 0.000 0.208 217 K C 2.230 178.713 176.600 -0.195 0.000 1.048 217 K CA 1.998 58.115 56.287 -0.284 0.000 0.928 217 K CB -0.228 32.090 32.500 -0.303 0.000 0.713 217 K HN 0.548 nan 8.250 nan 0.000 0.442 218 Q N 0.318 120.005 119.800 -0.187 0.000 2.050 218 Q HA -0.150 4.191 4.340 0.000 0.000 0.202 218 Q C 1.929 177.739 176.000 -0.317 0.000 0.980 218 Q CA 1.969 57.647 55.803 -0.210 0.000 0.840 218 Q CB 0.043 28.671 28.738 -0.184 0.000 0.898 218 Q HN 0.225 nan 8.270 nan 0.000 0.424 219 V N 1.324 121.055 119.914 -0.305 0.000 2.252 219 V HA -0.344 3.776 4.120 0.000 0.000 0.249 219 V C 2.405 178.323 176.094 -0.293 0.000 1.056 219 V CA 1.899 63.965 62.300 -0.389 0.000 1.022 219 V CB -1.534 30.207 31.823 -0.136 0.000 0.641 219 V HN 0.561 nan 8.190 nan 0.000 0.445 220 A N 1.267 123.994 122.820 -0.155 0.000 1.848 220 A HA -0.335 3.985 4.320 0.000 0.000 0.217 220 A C 2.254 179.789 177.584 -0.081 0.000 1.220 220 A CA 2.556 54.544 52.037 -0.080 0.000 0.645 220 A CB -0.927 18.029 19.000 -0.074 0.000 0.842 220 A HN 0.786 nan 8.150 nan 0.000 0.451 221 E N -0.694 119.442 120.200 -0.106 0.000 2.130 221 E HA -0.326 4.024 4.350 0.000 0.000 0.196 221 E C 2.025 178.573 176.600 -0.088 0.000 0.998 221 E CA 1.559 57.910 56.400 -0.081 0.000 0.806 221 E CB -0.403 29.247 29.700 -0.082 0.000 0.738 221 E HN 0.803 nan 8.360 nan 0.000 0.459 222 Q N -0.744 118.933 119.800 -0.205 0.000 2.432 222 Q HA 0.043 4.383 4.340 0.000 0.000 0.205 222 Q C 1.125 177.157 176.000 0.054 0.000 0.945 222 Q CA 0.611 56.293 55.803 -0.202 0.000 0.924 222 Q CB 0.203 28.677 28.738 -0.440 0.000 1.016 222 Q HN 0.447 nan 8.270 nan 0.000 0.503 223 F N -0.936 119.000 119.950 -0.024 0.000 2.640 223 F HA 0.225 4.752 4.527 0.000 0.000 0.285 223 F C 0.340 176.127 175.800 -0.022 0.000 1.031 223 F CA -0.699 57.286 58.000 -0.026 0.000 1.240 223 F CB 0.781 39.761 39.000 -0.032 0.000 1.011 223 F HN -0.153 nan 8.300 nan 0.000 0.656 224 L N 3.009 124.328 121.223 0.161 0.000 2.565 224 L HA 0.026 4.366 4.340 0.000 0.000 0.275 224 L C 0.381 177.289 176.870 0.063 0.000 1.137 224 L CA 0.041 54.933 54.840 0.086 0.000 0.915 224 L CB 0.023 42.111 42.059 0.049 0.000 1.232 224 L HN 0.284 nan 8.230 nan 0.000 0.473 225 N N 3.016 121.748 118.700 0.054 0.000 2.510 225 N HA 0.196 4.936 4.740 0.000 0.000 0.186 225 N C 0.700 176.229 175.510 0.032 0.000 1.051 225 N CA 0.027 53.100 53.050 0.040 0.000 0.877 225 N CB 0.560 39.068 38.487 0.035 0.000 1.183 225 N HN 0.429 nan 8.380 nan 0.000 0.443 226 I N 3.179 123.769 120.570 0.034 0.000 2.943 226 I HA -0.159 4.011 4.170 0.000 0.000 0.296 226 I C 1.019 177.158 176.117 0.037 0.000 1.220 226 I CA 0.618 61.942 61.300 0.039 0.000 1.409 226 I CB 0.209 38.245 38.000 0.060 0.000 1.374 226 I HN -0.035 nan 8.210 nan 0.000 0.545 227 R N 4.298 124.815 120.500 0.029 0.000 2.517 227 R HA 0.294 4.634 4.340 0.000 0.000 0.250 227 R C 0.777 177.091 176.300 0.022 0.000 1.213 227 R CA -0.524 55.590 56.100 0.024 0.000 1.146 227 R CB 0.754 31.065 30.300 0.017 0.000 1.279 227 R HN 0.784 nan 8.270 nan 0.000 0.597 228 S N -0.669 115.041 115.700 0.017 0.000 2.822 228 S HA 0.243 4.713 4.470 0.000 0.000 0.251 228 S C 0.695 175.303 174.600 0.013 0.000 1.441 228 S CA -0.063 58.145 58.200 0.014 0.000 0.983 228 S CB -0.033 63.174 63.200 0.011 0.000 0.910 228 S HN 0.975 nan 8.310 nan 0.000 0.557 229 G N -1.112 107.694 108.800 0.012 0.000 2.462 229 G HA2 0.462 4.422 3.960 0.000 0.000 0.685 229 G HA3 0.462 4.422 3.960 0.000 0.000 0.685 229 G C 0.014 174.921 174.900 0.012 0.000 1.295 229 G CA -0.218 44.889 45.100 0.011 0.000 0.941 229 G HN 1.772 nan 8.290 nan 0.000 0.554 230 A N -0.322 122.506 122.820 0.015 0.000 2.470 230 A HA 0.766 5.086 4.320 0.000 0.000 0.251 230 A C 2.033 179.628 177.584 0.018 0.000 1.245 230 A CA 1.511 53.560 52.037 0.021 0.000 0.932 230 A CB -0.566 18.453 19.000 0.032 0.000 1.037 230 A HN 2.919 nan 8.150 nan 0.000 0.522 231 G N -0.182 108.622 108.800 0.006 0.000 2.707 231 G HA2 -0.228 3.732 3.960 0.000 0.000 0.279 231 G HA3 -0.228 3.732 3.960 0.000 0.000 0.279 231 G C 0.158 175.064 174.900 0.010 0.000 1.345 231 G CA -0.013 45.083 45.100 -0.007 0.000 0.912 231 G HN 0.742 nan 8.290 nan 0.000 0.563 232 T N 1.483 116.038 114.554 0.001 0.000 2.867 232 T HA 0.422 4.772 4.350 0.000 0.000 0.297 232 T C 0.893 175.663 174.700 0.118 0.000 0.989 232 T CA 0.735 62.858 62.100 0.039 0.000 1.159 232 T CB 0.436 69.320 68.868 0.025 0.000 0.928 232 T HN 0.797 nan 8.240 nan 0.000 0.538 233 S N 2.493 118.255 115.700 0.104 0.000 2.601 233 S HA 0.389 4.859 4.470 0.000 0.000 0.271 233 S C 0.543 175.191 174.600 0.081 0.000 1.305 233 S CA -0.808 57.471 58.200 0.132 0.000 1.022 233 S CB 1.303 64.545 63.200 0.069 0.000 0.940 233 S HN 0.733 nan 8.310 nan 0.000 0.525 234 S N 1.227 116.904 115.700 -0.039 0.000 2.586 234 S HA 0.605 5.076 4.470 0.000 0.000 0.274 234 S C 0.278 174.780 174.600 -0.164 0.000 1.281 234 S CA -0.756 57.267 58.200 -0.294 0.000 1.035 234 S CB 0.442 63.096 63.200 -0.909 0.000 0.962 234 S HN 0.877 nan 8.310 nan 0.000 0.512 235 A N 4.087 126.826 122.820 -0.135 0.000 2.466 235 A HA 0.294 4.614 4.320 0.000 0.000 0.238 235 A C 0.238 177.777 177.584 -0.075 0.000 1.074 235 A CA -0.045 51.948 52.037 -0.074 0.000 0.774 235 A CB -0.051 18.918 19.000 -0.052 0.000 1.015 235 A HN 0.889 nan 8.150 nan 0.000 0.498 236 K N 0.779 121.164 120.400 -0.026 0.000 2.326 236 K HA 0.370 4.690 4.320 0.000 0.000 0.275 236 K C 0.199 176.813 176.600 0.022 0.000 1.018 236 K CA 0.297 56.585 56.287 0.001 0.000 0.962 236 K CB 0.693 33.211 32.500 0.030 0.000 0.953 236 K HN 0.718 nan 8.250 nan 0.000 0.475 237 A N 2.714 125.562 122.820 0.047 0.000 2.396 237 A HA 0.142 4.462 4.320 0.000 0.000 0.279 237 A C -0.231 177.510 177.584 0.262 0.000 1.165 237 A CA -0.170 51.942 52.037 0.125 0.000 0.824 237 A CB -0.033 19.021 19.000 0.089 0.000 1.100 237 A HN 0.599 nan 8.150 nan 0.000 0.516 238 T N 3.061 117.776 114.554 0.270 0.000 2.767 238 T HA 0.348 4.699 4.350 0.000 0.000 0.284 238 T C -0.390 174.476 174.700 0.278 0.000 0.973 238 T CA 0.114 62.356 62.100 0.236 0.000 0.996 238 T CB 0.331 69.285 68.868 0.143 0.000 0.927 238 T HN 0.487 nan 8.240 nan 0.000 0.456 239 Y N 2.231 122.590 120.300 0.097 0.000 2.346 239 Y HA 0.290 4.840 4.550 0.000 0.000 0.330 239 Y C 0.264 176.229 175.900 0.108 0.000 1.178 239 Y CA -0.121 57.958 58.100 -0.035 0.000 1.331 239 Y CB 0.651 39.066 38.460 -0.075 0.000 1.253 239 Y HN 0.850 nan 8.280 nan 0.000 0.529 240 W N 3.440 124.438 121.300 -0.502 0.000 3.412 240 W HA 0.270 4.930 4.660 0.000 0.000 0.236 240 W C 1.062 177.497 176.519 -0.140 0.000 1.030 240 W CA 0.887 58.109 57.345 -0.206 0.000 1.850 240 W CB -0.161 29.186 29.460 -0.189 0.000 0.979 240 W HN 0.802 nan 8.180 nan 0.000 0.716 241 G N 1.717 110.157 108.800 -0.600 0.000 2.248 241 G HA2 -0.021 3.939 3.960 0.000 0.000 0.263 241 G HA3 -0.021 3.939 3.960 0.000 0.000 0.263 241 G C 0.419 174.865 174.900 -0.757 0.000 1.082 241 G CA 0.225 45.099 45.100 -0.376 0.000 0.863 241 G HN 0.700 nan 8.290 nan 0.000 0.495 242 G N -0.963 107.034 108.800 -1.339 0.000 2.525 242 G HA2 0.655 4.615 3.960 0.000 0.000 0.287 242 G HA3 0.655 4.615 3.960 0.000 0.000 0.287 242 G C -0.147 174.313 174.900 -0.735 0.000 1.350 242 G CA 0.212 44.351 45.100 -1.601 0.000 1.039 242 G HN 0.846 nan 8.290 nan 0.000 0.513 243 E N -0.939 118.948 120.200 -0.520 0.000 2.294 243 E HA 0.421 4.771 4.350 0.000 0.000 0.272 243 E C -1.325 175.188 176.600 -0.145 0.000 0.896 243 E CA -0.545 55.700 56.400 -0.259 0.000 0.802 243 E CB 1.262 30.863 29.700 -0.166 0.000 1.267 243 E HN 0.334 nan 8.360 nan 0.000 0.406 244 I N 4.297 124.800 120.570 -0.110 0.000 2.406 244 I HA 0.470 4.640 4.170 0.000 0.000 0.290 244 I C -0.317 175.761 176.117 -0.065 0.000 0.999 244 I CA -0.812 60.464 61.300 -0.040 0.000 1.124 244 I CB 1.696 39.703 38.000 0.011 0.000 1.289 244 I HN 0.386 nan 8.210 nan 0.000 0.441 245 R N 4.851 125.316 120.500 -0.057 0.000 2.388 245 R HA 0.293 4.633 4.340 0.000 0.000 0.314 245 R C -0.664 175.608 176.300 -0.046 0.000 0.959 245 R CA -0.622 55.425 56.100 -0.088 0.000 0.851 245 R CB 1.918 32.123 30.300 -0.159 0.000 1.168 245 R HN 0.540 nan 8.270 nan 0.000 0.472 246 E N 3.220 123.398 120.200 -0.036 0.000 2.014 246 E HA 0.028 4.378 4.350 0.000 0.000 0.275 246 E C -0.859 175.723 176.600 -0.029 0.000 0.997 246 E CA -0.706 55.685 56.400 -0.015 0.000 0.804 246 E CB 0.949 30.654 29.700 0.008 0.000 1.090 246 E HN 0.295 nan 8.360 nan 0.000 0.401 247 Q N 4.290 124.071 119.800 -0.032 0.000 2.369 247 Q HA 0.069 4.409 4.340 0.000 0.000 0.247 247 Q C -0.326 175.641 176.000 -0.056 0.000 1.083 247 Q CA 0.351 56.130 55.803 -0.041 0.000 0.905 247 Q CB 0.119 28.838 28.738 -0.031 0.000 1.305 247 Q HN 0.715 nan 8.270 nan 0.000 0.465 248 N N 2.415 121.063 118.700 -0.087 0.000 2.170 248 N HA 0.179 4.919 4.740 0.000 0.000 0.222 248 N C 0.735 176.094 175.510 -0.250 0.000 1.218 248 N CA 0.064 53.014 53.050 -0.166 0.000 0.889 248 N CB 0.654 39.020 38.487 -0.202 0.000 1.083 248 N HN 0.684 nan 8.380 nan 0.000 0.520 249 G N 1.153 109.866 108.800 -0.145 0.000 2.212 249 G HA2 -0.294 3.666 3.960 0.000 0.000 0.266 249 G HA3 -0.294 3.666 3.960 0.000 0.000 0.266 249 G C -0.103 174.760 174.900 -0.063 0.000 0.978 249 G CA 0.266 45.301 45.100 -0.108 0.000 0.632 249 G HN 0.551 nan 8.290 nan 0.000 0.537 250 H N 1.189 120.265 119.070 0.010 0.000 2.972 250 H HA 0.289 4.845 4.556 0.000 0.000 0.343 250 H C 2.178 177.518 175.328 0.021 0.000 1.054 250 H CA 0.693 56.753 56.048 0.019 0.000 1.412 250 H CB 1.121 30.901 29.762 0.030 0.000 1.385 250 H HN 0.406 nan 8.280 nan 0.000 0.600 251 S N 2.916 118.719 115.700 0.172 0.000 2.400 251 S HA -0.060 4.410 4.470 0.000 0.000 0.232 251 S C 1.001 175.648 174.600 0.079 0.000 1.025 251 S CA 0.603 58.856 58.200 0.089 0.000 0.993 251 S CB 0.050 63.290 63.200 0.067 0.000 0.808 251 S HN 0.373 nan 8.310 nan 0.000 0.478 252 L N 1.780 123.069 121.223 0.110 0.000 2.334 252 L HA 0.574 4.914 4.340 0.000 0.000 0.275 252 L C -0.840 176.115 176.870 0.142 0.000 1.036 252 L CA -0.893 54.006 54.840 0.099 0.000 0.807 252 L CB 1.781 43.902 42.059 0.103 0.000 1.231 252 L HN 0.024 nan 8.230 nan 0.000 0.438 253 V N 1.894 121.851 119.914 0.071 0.000 2.384 253 V HA 0.327 4.447 4.120 0.000 0.000 0.287 253 V C -0.192 175.906 176.094 0.006 0.000 1.020 253 V CA -0.606 61.732 62.300 0.062 0.000 0.850 253 V CB 1.248 33.069 31.823 -0.003 0.000 0.987 253 V HN 0.602 nan 8.190 nan 0.000 0.436 254 H N 3.342 122.365 119.070 -0.078 0.000 2.489 254 H HA 0.774 5.330 4.556 0.000 0.000 0.322 254 H C -0.077 175.060 175.328 -0.318 0.000 1.091 254 H CA -0.217 55.718 56.048 -0.189 0.000 1.291 254 H CB 2.165 31.887 29.762 -0.068 0.000 1.436 254 H HN 0.780 nan 8.280 nan 0.000 0.480 255 A N 1.988 124.537 122.820 -0.451 0.000 2.520 255 A HA 0.713 5.034 4.320 0.000 0.000 0.298 255 A C -1.385 175.825 177.584 -0.623 0.000 1.051 255 A CA -0.419 51.374 52.037 -0.407 0.000 0.690 255 A CB 1.716 20.577 19.000 -0.231 0.000 1.281 255 A HN 0.737 nan 8.150 nan 0.000 0.402 256 A N 0.973 123.498 122.820 -0.491 0.000 2.398 256 A HA 0.722 5.042 4.320 0.000 0.000 0.301 256 A C -1.281 176.020 177.584 -0.472 0.000 1.041 256 A CA -0.461 51.277 52.037 -0.498 0.000 0.711 256 A CB 1.483 20.266 19.000 -0.361 0.000 1.240 256 A HN 1.482 nan 8.150 nan 0.000 0.420 257 V N 3.050 122.556 119.914 -0.680 0.000 2.487 257 V HA 0.701 4.821 4.120 0.000 0.000 0.298 257 V C 0.052 175.982 176.094 -0.273 0.000 1.028 257 V CA -0.355 61.639 62.300 -0.510 0.000 0.860 257 V CB 1.208 32.645 31.823 -0.644 0.000 0.991 257 V HN 1.317 nan 8.190 nan 0.000 0.427 258 V N 1.913 121.796 119.914 -0.053 0.000 3.156 258 V HA 0.925 5.045 4.120 0.000 0.000 0.310 258 V C -0.477 175.731 176.094 0.190 0.000 1.234 258 V CA -0.499 61.903 62.300 0.170 0.000 1.065 258 V CB 2.392 34.299 31.823 0.141 0.000 1.088 258 V HN 0.714 nan 8.190 nan 0.000 0.451 259 T N 0.294 115.019 114.554 0.284 0.000 2.883 259 T HA 0.403 4.753 4.350 0.000 0.000 0.301 259 T C -0.900 173.885 174.700 0.141 0.000 1.158 259 T CA -0.409 61.780 62.100 0.148 0.000 1.007 259 T CB 1.881 70.802 68.868 0.089 0.000 1.186 259 T HN 1.114 nan 8.240 nan 0.000 0.499 260 E N 0.947 121.099 120.200 -0.081 0.000 2.585 260 E HA 0.315 4.666 4.350 0.000 0.000 0.252 260 E C 0.645 177.217 176.600 -0.047 0.000 0.981 260 E CA 0.050 56.421 56.400 -0.049 0.000 0.943 260 E CB 0.062 29.580 29.700 -0.304 0.000 0.923 260 E HN 0.703 nan 8.360 nan 0.000 0.486 261 G N 3.064 111.819 108.800 -0.074 0.000 2.849 261 G HA2 0.611 4.571 3.960 0.000 0.000 0.174 261 G HA3 0.611 4.571 3.960 0.000 0.000 0.174 261 G C -0.682 174.055 174.900 -0.270 0.000 1.370 261 G CA -0.100 44.744 45.100 -0.427 0.000 1.040 261 G HN 0.724 nan 8.290 nan 0.000 0.582 262 A N -1.248 121.378 122.820 -0.325 0.000 2.282 262 A HA 0.790 5.110 4.320 0.000 0.000 0.319 262 A C 0.440 178.036 177.584 0.020 0.000 1.121 262 A CA 0.294 52.321 52.037 -0.016 0.000 0.836 262 A CB 0.798 19.886 19.000 0.148 0.000 1.146 262 A HN 1.545 nan 8.150 nan 0.000 0.494 263 A N 0.334 123.195 122.820 0.067 0.000 2.252 263 A HA 0.589 4.909 4.320 0.000 0.000 0.305 263 A C 0.061 177.683 177.584 0.063 0.000 1.097 263 A CA -0.452 51.634 52.037 0.082 0.000 0.849 263 A CB 0.149 19.208 19.000 0.097 0.000 1.142 263 A HN 1.096 nan 8.150 nan 0.000 0.499 264 V N 1.082 121.036 119.914 0.067 0.000 2.529 264 V HA 0.404 4.524 4.120 0.000 0.000 0.292 264 V C 1.614 177.736 176.094 0.047 0.000 1.028 264 V CA 1.797 64.127 62.300 0.051 0.000 1.074 264 V CB -0.094 31.767 31.823 0.064 0.000 0.958 264 V HN 1.903 nan 8.190 nan 0.000 0.481 265 G N 4.077 112.897 108.800 0.034 0.000 2.284 265 G HA2 -0.292 3.668 3.960 0.000 0.000 0.247 265 G HA3 -0.292 3.668 3.960 0.000 0.000 0.247 265 G C 0.687 175.605 174.900 0.030 0.000 1.012 265 G CA 0.312 45.428 45.100 0.025 0.000 0.618 265 G HN 1.014 nan 8.290 nan 0.000 0.521 266 S N 1.239 116.966 115.700 0.045 0.000 2.575 266 S HA 0.452 4.923 4.470 0.000 0.000 0.295 266 S C 1.954 176.582 174.600 0.047 0.000 1.267 266 S CA 0.799 59.030 58.200 0.052 0.000 1.074 266 S CB 0.681 63.925 63.200 0.073 0.000 0.829 266 S HN 1.703 nan 8.310 nan 0.000 0.497 267 A N 4.489 127.328 122.820 0.032 0.000 1.927 267 A HA -0.182 4.138 4.320 0.000 0.000 0.220 267 A C 1.890 179.489 177.584 0.024 0.000 1.185 267 A CA 1.986 54.033 52.037 0.017 0.000 0.639 267 A CB -0.827 18.177 19.000 0.006 0.000 0.820 267 A HN 0.966 nan 8.150 nan 0.000 0.451 268 E N -0.226 120.002 120.200 0.048 0.000 2.510 268 E HA 0.016 4.366 4.350 0.000 0.000 0.202 268 E C 1.750 178.443 176.600 0.155 0.000 1.072 268 E CA 0.463 56.902 56.400 0.064 0.000 0.883 268 E CB -0.256 29.516 29.700 0.120 0.000 0.818 268 E HN 0.626 nan 8.360 nan 0.000 0.548 269 A N 1.767 124.662 122.820 0.125 0.000 1.828 269 A HA -0.235 4.085 4.320 0.000 0.000 0.215 269 A C 1.878 179.536 177.584 0.124 0.000 1.203 269 A CA 1.545 53.669 52.037 0.145 0.000 0.614 269 A CB -0.681 18.364 19.000 0.074 0.000 0.844 269 A HN 0.362 nan 8.150 nan 0.000 0.445 270 N N 0.724 119.455 118.700 0.051 0.000 2.132 270 N HA -0.263 4.477 4.740 0.000 0.000 0.191 270 N C 1.924 177.439 175.510 0.007 0.000 1.015 270 N CA 1.672 54.738 53.050 0.027 0.000 0.864 270 N CB -0.535 37.946 38.487 -0.010 0.000 1.006 270 N HN 0.526 nan 8.380 nan 0.000 0.430 271 A N 1.236 124.024 122.820 -0.054 0.000 1.873 271 A HA -0.158 4.162 4.320 0.000 0.000 0.218 271 A C 2.089 179.528 177.584 -0.241 0.000 1.193 271 A CA 1.390 53.316 52.037 -0.186 0.000 0.629 271 A CB -1.062 17.748 19.000 -0.317 0.000 0.826 271 A HN 0.232 nan 8.150 nan 0.000 0.447 272 F N 0.499 120.369 119.950 -0.134 0.000 2.146 272 F HA -0.135 4.393 4.527 0.000 0.000 0.298 272 F C 2.870 178.677 175.800 0.012 0.000 1.096 272 F CA 1.456 59.326 58.000 -0.217 0.000 1.275 272 F CB -0.327 38.515 39.000 -0.263 0.000 1.008 272 F HN 0.139 nan 8.300 nan 0.000 0.480 273 S N 0.037 115.871 115.700 0.223 0.000 2.365 273 S HA -0.188 4.282 4.470 0.000 0.000 0.225 273 S C 2.224 176.966 174.600 0.237 0.000 1.039 273 S CA 1.509 59.831 58.200 0.205 0.000 1.033 273 S CB -0.638 62.659 63.200 0.161 0.000 0.887 273 S HN 0.134 nan 8.310 nan 0.000 0.447 274 V N 1.749 121.757 119.914 0.156 0.000 2.307 274 V HA -0.098 4.022 4.120 0.000 0.000 0.245 274 V C 2.229 178.404 176.094 0.134 0.000 1.045 274 V CA 1.502 63.888 62.300 0.142 0.000 1.024 274 V CB -0.712 31.137 31.823 0.043 0.000 0.651 274 V HN 0.399 nan 8.190 nan 0.000 0.449 275 L N 0.204 121.467 121.223 0.066 0.000 2.127 275 L HA -0.227 4.113 4.340 0.000 0.000 0.211 275 L C 2.391 179.400 176.870 0.232 0.000 1.089 275 L CA 2.179 57.068 54.840 0.082 0.000 0.757 275 L CB -0.807 41.212 42.059 -0.066 0.000 0.899 275 L HN 0.441 nan 8.230 nan 0.000 0.434 276 Q N -1.325 118.653 119.800 0.296 0.000 1.993 276 Q HA -0.250 4.091 4.340 0.000 0.000 0.202 276 Q C 2.187 178.227 176.000 0.067 0.000 0.984 276 Q CA 1.916 57.852 55.803 0.222 0.000 0.837 276 Q CB -0.285 28.525 28.738 0.119 0.000 0.902 276 Q HN 0.653 nan 8.270 nan 0.000 0.423 277 H N -0.681 118.460 119.070 0.118 0.000 2.456 277 H HA -0.073 4.483 4.556 0.000 0.000 0.296 277 H C 2.156 177.526 175.328 0.069 0.000 1.079 277 H CA 1.329 57.425 56.048 0.080 0.000 1.322 277 H CB 0.233 30.031 29.762 0.060 0.000 1.388 277 H HN 0.174 nan 8.280 nan 0.000 0.538 278 V N 0.845 120.866 119.914 0.179 0.000 2.453 278 V HA -0.182 3.938 4.120 0.000 0.000 0.247 278 V C 2.637 178.790 176.094 0.099 0.000 1.048 278 V CA 1.041 63.409 62.300 0.115 0.000 1.049 278 V CB -0.350 31.522 31.823 0.083 0.000 0.672 278 V HN 0.239 nan 8.190 nan 0.000 0.457 279 L N -0.161 121.127 121.223 0.109 0.000 2.131 279 L HA 0.322 4.663 4.340 0.000 0.000 0.206 279 L C 1.084 178.009 176.870 0.093 0.000 1.087 279 L CA 1.219 56.112 54.840 0.089 0.000 0.767 279 L CB -0.128 41.988 42.059 0.094 0.000 0.917 279 L HN 0.531 nan 8.230 nan 0.000 0.441 280 G N -0.232 108.625 108.800 0.095 0.000 2.588 280 G HA2 0.247 4.207 3.960 0.000 0.000 0.239 280 G HA3 0.247 4.207 3.960 0.000 0.000 0.239 280 G C -0.666 174.277 174.900 0.072 0.000 1.275 280 G CA -0.397 44.768 45.100 0.108 0.000 1.181 280 G HN 0.175 nan 8.290 nan 0.000 0.595 281 A N 1.519 124.358 122.820 0.032 0.000 3.232 281 A HA 0.951 5.271 4.320 0.000 0.000 0.312 281 A C 1.190 178.788 177.584 0.024 0.000 1.185 281 A CA 0.623 52.633 52.037 -0.045 0.000 1.011 281 A CB -0.121 18.685 19.000 -0.324 0.000 1.096 281 A HN 2.744 nan 8.150 nan 0.000 0.543 282 G N 1.511 110.352 108.800 0.069 0.000 2.692 282 G HA2 -0.002 3.958 3.960 0.000 0.000 0.686 282 G HA3 -0.002 3.958 3.960 0.000 0.000 0.686 282 G C -2.507 172.435 174.900 0.070 0.000 1.243 282 G CA -0.509 44.634 45.100 0.072 0.000 0.782 282 G HN 0.626 nan 8.290 nan 0.000 0.625 283 P HA 0.467 nan 4.420 nan 0.000 0.275 283 P C 0.646 177.952 177.300 0.010 0.000 1.228 283 P CA -0.442 62.666 63.100 0.014 0.000 0.786 283 P CB 1.114 32.820 31.700 0.009 0.000 0.927 284 L N 0.937 122.154 121.223 -0.009 0.000 2.749 284 L HA 0.361 4.701 4.340 0.000 0.000 0.242 284 L C 0.785 177.646 176.870 -0.015 0.000 1.103 284 L CA 0.165 55.003 54.840 -0.002 0.000 0.906 284 L CB 0.174 42.234 42.059 0.001 0.000 1.228 284 L HN 0.266 nan 8.230 nan 0.000 0.517 285 I N 0.365 120.917 120.570 -0.031 0.000 2.465 285 I HA 0.214 4.384 4.170 0.000 0.000 0.291 285 I C -0.059 176.038 176.117 -0.033 0.000 1.014 285 I CA -0.684 60.596 61.300 -0.032 0.000 1.093 285 I CB 2.168 40.142 38.000 -0.044 0.000 1.267 285 I HN -0.057 nan 8.210 nan 0.000 0.431 286 K N 6.177 126.563 120.400 -0.023 0.000 2.447 286 K HA 0.137 4.457 4.320 0.000 0.000 0.281 286 K C 0.532 177.117 176.600 -0.025 0.000 1.031 286 K CA 0.271 56.547 56.287 -0.019 0.000 1.019 286 K CB 0.308 32.801 32.500 -0.012 0.000 0.918 286 K HN 0.589 nan 8.250 nan 0.000 0.476 287 R N 0.748 121.232 120.500 -0.026 0.000 4.023 287 R HA -0.198 4.142 4.340 0.000 0.000 0.368 287 R C 0.480 176.753 176.300 -0.046 0.000 1.187 287 R CA 0.956 57.039 56.100 -0.029 0.000 1.089 287 R CB -1.991 28.296 30.300 -0.021 0.000 1.574 287 R HN 0.850 nan 8.270 nan 0.000 0.564 288 G N 0.038 108.802 108.800 -0.060 0.000 2.504 288 G HA2 0.396 4.356 3.960 0.000 0.000 0.288 288 G HA3 0.396 4.356 3.960 0.000 0.000 0.288 288 G C -0.269 174.542 174.900 -0.148 0.000 1.182 288 G CA 0.040 45.090 45.100 -0.083 0.000 0.894 288 G HN 0.077 nan 8.290 nan 0.000 0.521 289 S N -0.990 114.606 115.700 -0.173 0.000 2.652 289 S HA 0.501 4.971 4.470 0.000 0.000 0.270 289 S C 0.346 174.739 174.600 -0.346 0.000 1.243 289 S CA -0.490 57.523 58.200 -0.312 0.000 0.999 289 S CB 0.847 63.930 63.200 -0.195 0.000 0.973 289 S HN 0.449 nan 8.310 nan 0.000 0.544 290 S N 2.608 117.969 115.700 -0.565 0.000 2.474 290 S HA 0.271 4.741 4.470 0.000 0.000 0.320 290 S C 0.955 175.434 174.600 -0.202 0.000 1.067 290 S CA -0.805 57.188 58.200 -0.345 0.000 1.127 290 S CB 1.090 64.072 63.200 -0.364 0.000 0.971 290 S HN 0.570 nan 8.310 nan 0.000 0.472 291 V N 2.695 122.544 119.914 -0.109 0.000 2.488 291 V HA -0.075 4.045 4.120 0.000 0.000 0.246 291 V C 2.052 178.138 176.094 -0.014 0.000 1.046 291 V CA 1.339 63.610 62.300 -0.048 0.000 1.053 291 V CB -0.831 30.971 31.823 -0.036 0.000 0.679 291 V HN 0.719 nan 8.190 nan 0.000 0.458 292 T N 0.001 114.548 114.554 -0.013 0.000 3.320 292 T HA -0.025 4.325 4.350 0.000 0.000 0.258 292 T C 0.871 175.592 174.700 0.036 0.000 1.176 292 T CA 0.815 62.922 62.100 0.012 0.000 1.037 292 T CB -0.236 68.640 68.868 0.014 0.000 0.958 292 T HN 0.336 nan 8.240 nan 0.000 0.545 293 S N 1.186 116.909 115.700 0.037 0.000 2.532 293 S HA 0.267 4.737 4.470 0.000 0.000 0.318 293 S C 1.325 175.984 174.600 0.099 0.000 1.083 293 S CA -0.913 57.337 58.200 0.083 0.000 1.131 293 S CB 0.297 63.566 63.200 0.116 0.000 0.973 293 S HN 0.062 nan 8.310 nan 0.000 0.468 294 K N 3.036 123.482 120.400 0.077 0.000 2.020 294 K HA -0.123 4.197 4.320 0.000 0.000 0.212 294 K C 1.781 178.418 176.600 0.061 0.000 1.050 294 K CA 1.102 57.424 56.287 0.058 0.000 0.929 294 K CB -0.583 31.941 32.500 0.040 0.000 0.714 294 K HN 0.583 nan 8.250 nan 0.000 0.443 295 L N 0.496 121.756 121.223 0.062 0.000 2.017 295 L HA -0.203 4.137 4.340 0.000 0.000 0.208 295 L C 2.379 179.305 176.870 0.093 0.000 1.073 295 L CA 1.680 56.535 54.840 0.025 0.000 0.745 295 L CB -0.886 41.177 42.059 0.008 0.000 0.894 295 L HN 0.142 nan 8.230 nan 0.000 0.432 296 Y N 0.016 120.359 120.300 0.072 0.000 2.089 296 Y HA -0.276 4.274 4.550 0.000 0.000 0.282 296 Y C 2.698 178.699 175.900 0.169 0.000 1.139 296 Y CA 2.031 60.241 58.100 0.182 0.000 1.123 296 Y CB -0.413 38.136 38.460 0.148 0.000 0.980 296 Y HN 0.298 nan 8.280 nan 0.000 0.493 297 Q N -0.339 119.687 119.800 0.376 0.000 2.152 297 Q HA -0.177 4.163 4.340 0.000 0.000 0.206 297 Q C 2.490 178.566 176.000 0.126 0.000 0.985 297 Q CA 1.549 57.490 55.803 0.230 0.000 0.863 297 Q CB -1.124 27.685 28.738 0.119 0.000 0.904 297 Q HN 0.655 nan 8.270 nan 0.000 0.422 298 G N 0.007 108.843 108.800 0.059 0.000 2.404 298 G HA2 -0.153 3.807 3.960 0.000 0.000 0.215 298 G HA3 -0.153 3.807 3.960 0.000 0.000 0.215 298 G C 1.627 176.465 174.900 -0.103 0.000 1.174 298 G CA 0.917 46.002 45.100 -0.025 0.000 0.780 298 G HN 0.277 nan 8.290 nan 0.000 0.537 299 V N 1.673 121.477 119.914 -0.184 0.000 2.343 299 V HA -0.115 4.005 4.120 0.000 0.000 0.247 299 V C 3.330 179.104 176.094 -0.533 0.000 1.051 299 V CA 1.878 63.901 62.300 -0.461 0.000 1.036 299 V CB -0.898 30.479 31.823 -0.743 0.000 0.654 299 V HN 0.472 nan 8.190 nan 0.000 0.451 300 A N 0.352 123.064 122.820 -0.180 0.000 1.892 300 A HA -0.287 4.033 4.320 0.000 0.000 0.218 300 A C 2.254 179.855 177.584 0.028 0.000 1.188 300 A CA 2.229 54.359 52.037 0.154 0.000 0.631 300 A CB -0.504 18.772 19.000 0.460 0.000 0.822 300 A HN 0.587 nan 8.150 nan 0.000 0.447 301 K N -0.328 120.072 120.400 -0.001 0.000 2.209 301 K HA -0.017 4.303 4.320 0.000 0.000 0.204 301 K C 2.096 178.658 176.600 -0.063 0.000 1.048 301 K CA 1.008 57.285 56.287 -0.017 0.000 0.940 301 K CB -0.261 32.231 32.500 -0.014 0.000 0.729 301 K HN 0.479 nan 8.250 nan 0.000 0.451 302 A N 0.726 123.471 122.820 -0.125 0.000 1.903 302 A HA -0.014 4.307 4.320 0.000 0.000 0.213 302 A C 1.410 178.899 177.584 -0.160 0.000 1.185 302 A CA 0.979 52.931 52.037 -0.142 0.000 0.628 302 A CB 0.118 19.012 19.000 -0.177 0.000 0.830 302 A HN 0.223 nan 8.150 nan 0.000 0.446 303 T N -2.362 112.065 114.554 -0.211 0.000 2.932 303 T HA 0.464 4.814 4.350 0.000 0.000 0.289 303 T C 0.754 175.387 174.700 -0.112 0.000 1.039 303 T CA 0.220 62.190 62.100 -0.217 0.000 1.024 303 T CB 1.642 70.355 68.868 -0.259 0.000 1.090 303 T HN 0.114 nan 8.240 nan 0.000 0.496 304 T N 2.211 116.676 114.554 -0.147 0.000 3.040 304 T HA 0.166 4.516 4.350 0.000 0.000 0.252 304 T C 0.661 175.367 174.700 0.010 0.000 1.064 304 T CA 0.119 62.189 62.100 -0.050 0.000 1.110 304 T CB 0.179 69.004 68.868 -0.072 0.000 0.921 304 T HN 0.432 nan 8.240 nan 0.000 0.480 305 Q N 1.548 121.338 119.800 -0.017 0.000 2.317 305 Q HA 0.335 4.675 4.340 0.000 0.000 0.229 305 Q C -2.493 173.611 176.000 0.173 0.000 0.984 305 Q CA -2.466 53.389 55.803 0.085 0.000 0.911 305 Q CB -0.352 28.479 28.738 0.154 0.000 1.217 305 Q HN 0.124 nan 8.270 nan 0.000 0.501 306 P HA 0.038 nan 4.420 nan 0.000 0.266 306 P C -0.888 176.492 177.300 0.133 0.000 1.195 306 P CA 0.405 63.541 63.100 0.060 0.000 0.768 306 P CB 0.251 31.967 31.700 0.026 0.000 0.838 307 F N -0.545 119.371 119.950 -0.056 0.000 3.052 307 F HA 0.764 5.291 4.527 0.000 0.000 0.323 307 F C -2.110 173.585 175.800 -0.175 0.000 1.178 307 F CA -0.965 56.967 58.000 -0.114 0.000 0.892 307 F CB 1.245 40.160 39.000 -0.142 0.000 1.416 307 F HN 0.152 nan 8.300 nan 0.000 0.488 308 D N 0.642 121.086 120.400 0.073 0.000 2.878 308 D HA 0.594 5.234 4.640 0.000 0.000 0.211 308 D C -1.858 174.510 176.300 0.113 0.000 1.271 308 D CA 0.017 53.952 54.000 -0.109 0.000 0.845 308 D CB 2.180 42.938 40.800 -0.070 0.000 1.679 308 D HN 1.132 nan 8.370 nan 0.000 0.536 309 A N 1.713 124.558 122.820 0.042 0.000 2.449 309 A HA 0.840 5.160 4.320 0.000 0.000 0.302 309 A C -0.956 176.714 177.584 0.143 0.000 1.048 309 A CA -0.432 51.668 52.037 0.105 0.000 0.708 309 A CB 1.825 20.840 19.000 0.026 0.000 1.274 309 A HN 0.334 nan 8.150 nan 0.000 0.410 310 S N -0.618 115.195 115.700 0.189 0.000 2.570 310 S HA 0.724 5.194 4.470 0.000 0.000 0.270 310 S C -0.497 174.196 174.600 0.156 0.000 1.149 310 S CA -0.018 58.282 58.200 0.166 0.000 0.837 310 S CB 1.820 65.112 63.200 0.153 0.000 1.124 310 S HN 1.774 nan 8.310 nan 0.000 0.465 311 A N 1.596 124.457 122.820 0.068 0.000 2.309 311 A HA 0.649 4.969 4.320 0.000 0.000 0.290 311 A C -0.731 176.815 177.584 -0.062 0.000 1.206 311 A CA -0.147 51.864 52.037 -0.043 0.000 0.850 311 A CB -0.408 18.559 19.000 -0.054 0.000 1.118 311 A HN 0.628 nan 8.150 nan 0.000 0.523 312 F N 3.225 123.011 119.950 -0.275 0.000 2.385 312 F HA 0.596 5.123 4.527 0.000 0.000 0.336 312 F C -0.004 175.600 175.800 -0.326 0.000 1.100 312 F CA -0.501 57.370 58.000 -0.216 0.000 1.116 312 F CB 1.201 40.125 39.000 -0.128 0.000 1.166 312 F HN 0.609 nan 8.300 nan 0.000 0.511 313 N N 4.232 122.363 118.700 -0.948 0.000 2.537 313 N HA 0.495 5.235 4.740 0.000 0.000 0.281 313 N C -2.354 172.769 175.510 -0.646 0.000 1.097 313 N CA -0.440 52.271 53.050 -0.564 0.000 0.964 313 N CB 1.626 40.048 38.487 -0.108 0.000 1.588 313 N HN 0.349 nan 8.380 nan 0.000 0.511 314 V N 2.662 122.266 119.914 -0.517 0.000 2.709 314 V HA 0.618 4.738 4.120 0.000 0.000 0.308 314 V C -0.851 175.018 176.094 -0.374 0.000 1.062 314 V CA -0.946 61.072 62.300 -0.469 0.000 0.901 314 V CB 2.023 33.565 31.823 -0.468 0.000 1.003 314 V HN 0.653 nan 8.190 nan 0.000 0.425 315 N N 3.104 121.568 118.700 -0.393 0.000 2.442 315 N HA 0.554 5.294 4.740 0.000 0.000 0.274 315 N C -1.276 174.075 175.510 -0.265 0.000 1.002 315 N CA -0.278 52.630 53.050 -0.236 0.000 0.910 315 N CB 1.844 40.275 38.487 -0.094 0.000 1.244 315 N HN 0.649 nan 8.380 nan 0.000 0.492 316 Y N -0.191 120.150 120.300 0.069 0.000 2.596 316 Y HA 0.156 4.706 4.550 0.000 0.000 0.326 316 Y C 2.083 178.020 175.900 0.062 0.000 1.167 316 Y CA -0.834 57.307 58.100 0.068 0.000 1.246 316 Y CB 1.095 39.591 38.460 0.060 0.000 1.347 316 Y HN 0.489 nan 8.280 nan 0.000 0.515 317 S N 0.136 115.990 115.700 0.257 0.000 2.369 317 S HA -0.262 4.209 4.470 0.000 0.000 0.225 317 S C 0.877 175.556 174.600 0.130 0.000 1.043 317 S CA 2.080 60.373 58.200 0.155 0.000 1.074 317 S CB -0.518 62.758 63.200 0.127 0.000 0.962 317 S HN 0.841 nan 8.310 nan 0.000 0.433 318 D N 0.118 120.595 120.400 0.129 0.000 2.501 318 D HA 0.543 5.184 4.640 0.000 0.000 0.226 318 D C 0.221 176.618 176.300 0.162 0.000 1.198 318 D CA -0.097 53.972 54.000 0.115 0.000 0.830 318 D CB 0.329 41.176 40.800 0.077 0.000 1.014 318 D HN 0.353 nan 8.370 nan 0.000 0.496 319 S N -2.163 113.666 115.700 0.215 0.000 2.655 319 S HA 0.667 5.137 4.470 0.000 0.000 0.263 319 S C -1.366 173.414 174.600 0.300 0.000 1.091 319 S CA -0.278 58.087 58.200 0.275 0.000 0.865 319 S CB 0.891 64.334 63.200 0.405 0.000 1.146 319 S HN 0.612 nan 8.310 nan 0.000 0.482 320 G N 0.060 109.043 108.800 0.306 0.000 2.506 320 G HA2 0.608 4.568 3.960 0.000 0.000 0.292 320 G HA3 0.608 4.568 3.960 0.000 0.000 0.292 320 G C -2.431 172.590 174.900 0.203 0.000 1.425 320 G CA -0.568 44.645 45.100 0.189 0.000 0.788 320 G HN 0.781 nan 8.290 nan 0.000 0.490 321 L N -0.270 121.023 121.223 0.116 0.000 2.422 321 L HA 0.775 5.115 4.340 0.000 0.000 0.264 321 L C -1.492 175.464 176.870 0.143 0.000 0.984 321 L CA -0.795 54.156 54.840 0.185 0.000 0.819 321 L CB 2.662 44.904 42.059 0.306 0.000 1.330 321 L HN 0.583 nan 8.230 nan 0.000 0.410 322 F N 0.913 120.889 119.950 0.043 0.000 2.581 322 F HA 0.842 5.369 4.527 0.000 0.000 0.311 322 F C -0.031 175.921 175.800 0.252 0.000 1.113 322 F CA 0.112 58.133 58.000 0.035 0.000 0.935 322 F CB 2.200 41.041 39.000 -0.265 0.000 1.232 322 F HN 0.539 nan 8.300 nan 0.000 0.445 323 G N 3.167 111.619 108.800 -0.580 0.000 2.392 323 G HA2 0.381 4.341 3.960 0.000 0.000 0.260 323 G HA3 0.381 4.341 3.960 0.000 0.000 0.260 323 G C -2.055 172.675 174.900 -0.283 0.000 1.226 323 G CA -0.198 44.720 45.100 -0.304 0.000 0.913 323 G HN 1.005 nan 8.290 nan 0.000 0.483 324 F N -1.153 118.716 119.950 -0.134 0.000 2.576 324 F HA 0.861 5.388 4.527 0.000 0.000 0.313 324 F C -1.264 174.552 175.800 0.027 0.000 1.078 324 F CA -1.842 56.120 58.000 -0.064 0.000 0.921 324 F CB 1.924 40.865 39.000 -0.099 0.000 1.232 324 F HN 0.598 nan 8.300 nan 0.000 0.459 325 Y N 2.098 122.475 120.300 0.128 0.000 2.341 325 Y HA 0.608 5.158 4.550 0.000 0.000 0.338 325 Y C -0.232 175.737 175.900 0.115 0.000 0.965 325 Y CA -0.359 57.755 58.100 0.024 0.000 1.108 325 Y CB 1.685 40.142 38.460 -0.004 0.000 1.180 325 Y HN 1.024 nan 8.280 nan 0.000 0.458 326 T N 4.067 118.534 114.554 -0.145 0.000 2.926 326 T HA 0.798 5.148 4.350 0.000 0.000 0.289 326 T C -1.035 173.538 174.700 -0.211 0.000 1.054 326 T CA -0.779 61.301 62.100 -0.033 0.000 1.015 326 T CB 1.678 70.555 68.868 0.015 0.000 1.167 326 T HN 0.532 nan 8.240 nan 0.000 0.526 327 I N 1.821 122.319 120.570 -0.120 0.000 2.610 327 I HA 0.540 4.710 4.170 0.000 0.000 0.289 327 I C -0.611 175.455 176.117 -0.085 0.000 1.163 327 I CA -0.690 60.447 61.300 -0.271 0.000 1.044 327 I CB 2.265 40.062 38.000 -0.338 0.000 1.251 327 I HN 1.071 nan 8.210 nan 0.000 0.424 328 S N 3.681 119.339 115.700 -0.070 0.000 2.615 328 S HA 0.487 4.957 4.470 0.000 0.000 0.269 328 S C -1.122 173.497 174.600 0.032 0.000 1.161 328 S CA -1.137 57.081 58.200 0.030 0.000 0.817 328 S CB 1.800 65.021 63.200 0.036 0.000 1.131 328 S HN 0.580 nan 8.310 nan 0.000 0.467 329 Q N 0.130 119.976 119.800 0.077 0.000 2.474 329 Q HA 0.419 4.759 4.340 0.000 0.000 0.256 329 Q C 1.577 177.572 176.000 -0.009 0.000 1.048 329 Q CA 0.165 55.996 55.803 0.046 0.000 0.922 329 Q CB 0.529 29.316 28.738 0.082 0.000 1.288 329 Q HN 0.881 nan 8.270 nan 0.000 0.484 330 A N 1.820 124.618 122.820 -0.035 0.000 1.865 330 A HA -0.218 4.102 4.320 0.000 0.000 0.217 330 A C 2.080 179.598 177.584 -0.110 0.000 1.191 330 A CA 2.010 54.015 52.037 -0.053 0.000 0.623 330 A CB -1.049 17.929 19.000 -0.036 0.000 0.826 330 A HN 0.867 nan 8.150 nan 0.000 0.444 331 A N -1.427 121.261 122.820 -0.221 0.000 2.019 331 A HA -0.161 4.159 4.320 0.000 0.000 0.219 331 A C 1.721 179.098 177.584 -0.345 0.000 1.164 331 A CA 1.558 53.398 52.037 -0.329 0.000 0.644 331 A CB -0.694 18.017 19.000 -0.482 0.000 0.805 331 A HN 0.669 nan 8.150 nan 0.000 0.449 332 H N -1.209 117.855 119.070 -0.011 0.000 2.520 332 H HA 0.456 5.012 4.556 0.000 0.000 0.284 332 H C 1.992 177.293 175.328 -0.044 0.000 1.037 332 H CA 0.350 56.382 56.048 -0.027 0.000 1.168 332 H CB -0.358 29.389 29.762 -0.025 0.000 1.497 332 H HN 0.514 nan 8.280 nan 0.000 0.547 333 A N 0.982 123.814 122.820 0.020 0.000 1.902 333 A HA -0.097 4.223 4.320 0.000 0.000 0.217 333 A C 2.674 180.253 177.584 -0.009 0.000 1.181 333 A CA 1.541 53.574 52.037 -0.007 0.000 0.623 333 A CB -0.991 17.991 19.000 -0.030 0.000 0.818 333 A HN 0.447 nan 8.150 nan 0.000 0.443 334 G N 0.686 109.487 108.800 0.001 0.000 2.587 334 G HA2 -0.310 3.650 3.960 0.000 0.000 0.217 334 G HA3 -0.310 3.650 3.960 0.000 0.000 0.217 334 G C 1.384 176.282 174.900 -0.003 0.000 1.240 334 G CA 1.256 46.360 45.100 0.006 0.000 0.794 334 G HN 0.775 nan 8.290 nan 0.000 0.580 335 E N 0.114 120.313 120.200 -0.001 0.000 2.118 335 E HA -0.117 4.233 4.350 0.000 0.000 0.195 335 E C 2.434 178.978 176.600 -0.093 0.000 0.992 335 E CA 1.332 57.710 56.400 -0.037 0.000 0.804 335 E CB -0.552 29.128 29.700 -0.032 0.000 0.741 335 E HN 0.280 nan 8.360 nan 0.000 0.458 336 V N 1.541 121.391 119.914 -0.106 0.000 2.407 336 V HA -0.230 3.890 4.120 0.000 0.000 0.248 336 V C 2.312 178.308 176.094 -0.163 0.000 1.055 336 V CA 1.615 63.797 62.300 -0.197 0.000 1.049 336 V CB -0.404 31.310 31.823 -0.181 0.000 0.662 336 V HN 0.312 nan 8.190 nan 0.000 0.455 337 I N -0.906 119.625 120.570 -0.065 0.000 2.406 337 I HA -0.132 4.038 4.170 0.000 0.000 0.249 337 I C 2.708 178.812 176.117 -0.022 0.000 1.122 337 I CA 1.135 62.447 61.300 0.020 0.000 1.431 337 I CB -0.390 37.664 38.000 0.090 0.000 1.087 337 I HN 0.158 nan 8.210 nan 0.000 0.424 338 R N 0.871 121.353 120.500 -0.031 0.000 2.092 338 R HA -0.084 4.257 4.340 0.000 0.000 0.231 338 R C 2.456 178.701 176.300 -0.093 0.000 1.119 338 R CA 1.385 57.467 56.100 -0.029 0.000 0.970 338 R CB -0.334 29.958 30.300 -0.014 0.000 0.864 338 R HN 0.336 nan 8.270 nan 0.000 0.440 339 A N 1.056 123.791 122.820 -0.142 0.000 1.933 339 A HA -0.108 4.212 4.320 0.000 0.000 0.218 339 A C 2.304 179.739 177.584 -0.248 0.000 1.175 339 A CA 1.656 53.587 52.037 -0.176 0.000 0.628 339 A CB -0.476 18.397 19.000 -0.211 0.000 0.814 339 A HN 0.398 nan 8.150 nan 0.000 0.444 340 A N -1.023 121.568 122.820 -0.382 0.000 1.969 340 A HA -0.058 4.262 4.320 0.000 0.000 0.218 340 A C 2.194 179.379 177.584 -0.665 0.000 1.169 340 A CA 1.675 53.309 52.037 -0.672 0.000 0.635 340 A CB -0.436 17.846 19.000 -1.196 0.000 0.810 340 A HN 0.443 nan 8.150 nan 0.000 0.445 341 M N 0.142 119.502 119.600 -0.400 0.000 2.099 341 M HA -0.123 4.357 4.480 0.000 0.000 0.262 341 M C 1.669 177.961 176.300 -0.014 0.000 1.067 341 M CA 1.251 56.512 55.300 -0.065 0.000 1.124 341 M CB -1.248 31.413 32.600 0.101 0.000 1.353 341 M HN 0.446 nan 8.290 nan 0.000 0.410 342 N N 0.319 118.988 118.700 -0.050 0.000 2.149 342 N HA -0.176 4.564 4.740 0.000 0.000 0.188 342 N C 1.614 177.108 175.510 -0.027 0.000 1.019 342 N CA 1.091 54.128 53.050 -0.023 0.000 0.857 342 N CB -0.412 38.052 38.487 -0.038 0.000 0.997 342 N HN 0.401 nan 8.380 nan 0.000 0.426 343 Q N 0.451 120.205 119.800 -0.077 0.000 2.291 343 Q HA 0.038 4.378 4.340 0.000 0.000 0.206 343 Q C 2.155 178.137 176.000 -0.030 0.000 0.976 343 Q CA 0.487 56.252 55.803 -0.063 0.000 0.875 343 Q CB -0.072 28.604 28.738 -0.103 0.000 0.927 343 Q HN 0.454 nan 8.270 nan 0.000 0.450 344 L N -0.191 121.022 121.223 -0.016 0.000 2.168 344 L HA -0.085 4.255 4.340 0.000 0.000 0.203 344 L C 2.264 179.208 176.870 0.123 0.000 1.078 344 L CA 0.719 55.591 54.840 0.053 0.000 0.780 344 L CB -0.081 42.023 42.059 0.076 0.000 0.939 344 L HN 0.069 nan 8.230 nan 0.000 0.451 345 K N 0.225 120.699 120.400 0.122 0.000 1.973 345 K HA -0.155 4.165 4.320 0.000 0.000 0.212 345 K C 2.179 178.818 176.600 0.065 0.000 1.047 345 K CA 1.449 57.801 56.287 0.108 0.000 0.937 345 K CB -0.493 32.056 32.500 0.082 0.000 0.721 345 K HN 0.233 nan 8.250 nan 0.000 0.440 346 A N 1.717 124.561 122.820 0.040 0.000 1.971 346 A HA -0.259 4.062 4.320 0.000 0.000 0.222 346 A C 2.371 179.970 177.584 0.025 0.000 1.182 346 A CA 2.326 54.377 52.037 0.024 0.000 0.649 346 A CB -0.808 18.198 19.000 0.010 0.000 0.818 346 A HN 0.436 nan 8.150 nan 0.000 0.458 347 A N -0.882 121.957 122.820 0.032 0.000 1.970 347 A HA 0.347 4.667 4.320 0.000 0.000 0.216 347 A C 2.376 179.977 177.584 0.028 0.000 1.170 347 A CA 1.546 53.599 52.037 0.027 0.000 0.645 347 A CB -0.717 18.302 19.000 0.032 0.000 0.816 347 A HN 1.087 nan 8.150 nan 0.000 0.447 348 A N -0.579 122.271 122.820 0.050 0.000 2.066 348 A HA -0.043 4.277 4.320 0.000 0.000 0.218 348 A C 1.461 179.062 177.584 0.029 0.000 1.157 348 A CA 0.838 52.905 52.037 0.049 0.000 0.670 348 A CB -0.255 18.799 19.000 0.090 0.000 0.804 348 A HN 0.611 nan 8.150 nan 0.000 0.453 349 Q N -0.659 119.157 119.800 0.027 0.000 3.041 349 Q HA 0.388 4.728 4.340 0.000 0.000 0.372 349 Q C 0.874 176.880 176.000 0.009 0.000 1.241 349 Q CA 0.031 55.844 55.803 0.017 0.000 1.010 349 Q CB -0.051 28.698 28.738 0.019 0.000 1.467 349 Q HN 0.650 nan 8.270 nan 0.000 0.462 350 G N 0.737 109.539 108.800 0.004 0.000 2.216 350 G HA2 -0.359 3.601 3.960 0.000 0.000 0.269 350 G HA3 -0.359 3.601 3.960 0.000 0.000 0.269 350 G C 0.719 175.619 174.900 0.000 0.000 0.981 350 G CA 0.265 45.364 45.100 -0.002 0.000 0.658 350 G HN 0.644 nan 8.290 nan 0.000 0.539 351 G N -0.542 108.261 108.800 0.005 0.000 3.324 351 G HA2 0.403 4.363 3.960 0.000 0.000 0.232 351 G HA3 0.403 4.363 3.960 0.000 0.000 0.232 351 G C 0.053 174.957 174.900 0.006 0.000 1.213 351 G CA 0.589 45.692 45.100 0.006 0.000 1.637 351 G HN 0.966 nan 8.290 nan 0.000 0.572 352 V N 0.740 120.655 119.914 0.002 0.000 2.409 352 V HA 0.235 4.355 4.120 0.000 0.000 0.290 352 V C 0.560 176.653 176.094 -0.002 0.000 1.017 352 V CA -0.764 61.537 62.300 0.001 0.000 0.841 352 V CB 1.245 33.065 31.823 -0.004 0.000 1.003 352 V HN 0.240 nan 8.190 nan 0.000 0.426 353 T N 2.915 117.470 114.554 0.001 0.000 2.795 353 T HA 0.013 4.363 4.350 0.000 0.000 0.314 353 T C 1.179 175.876 174.700 -0.004 0.000 1.069 353 T CA 0.231 62.331 62.100 -0.001 0.000 1.071 353 T CB 0.882 69.751 68.868 0.001 0.000 0.988 353 T HN 0.862 nan 8.240 nan 0.000 0.543 354 E N 0.120 120.316 120.200 -0.006 0.000 2.442 354 E HA -0.007 4.344 4.350 0.000 0.000 0.195 354 E C 1.867 178.462 176.600 -0.007 0.000 1.030 354 E CA 0.716 57.111 56.400 -0.009 0.000 0.869 354 E CB 0.088 29.783 29.700 -0.010 0.000 0.857 354 E HN 0.726 nan 8.360 nan 0.000 0.505 355 E N -0.131 120.066 120.200 -0.005 0.000 2.190 355 E HA -0.124 4.226 4.350 0.000 0.000 0.191 355 E C 0.778 177.377 176.600 -0.001 0.000 0.978 355 E CA 0.867 57.265 56.400 -0.004 0.000 0.839 355 E CB 0.121 29.820 29.700 -0.003 0.000 0.787 355 E HN 0.188 nan 8.360 nan 0.000 0.473 356 D N 0.498 120.900 120.400 0.003 0.000 2.104 356 D HA -0.161 4.479 4.640 0.000 0.000 0.194 356 D C 1.991 178.297 176.300 0.011 0.000 0.994 356 D CA 1.139 55.145 54.000 0.010 0.000 0.830 356 D CB -0.257 40.552 40.800 0.014 0.000 0.959 356 D HN 0.090 nan 8.370 nan 0.000 0.452 357 V N 0.775 120.691 119.914 0.003 0.000 2.594 357 V HA -0.196 3.924 4.120 0.000 0.000 0.253 357 V C 2.301 178.391 176.094 -0.007 0.000 1.069 357 V CA 1.740 64.039 62.300 -0.001 0.000 1.082 357 V CB -0.676 31.140 31.823 -0.012 0.000 0.680 357 V HN 0.245 nan 8.190 nan 0.000 0.469 358 T N -0.486 114.063 114.554 -0.009 0.000 2.809 358 T HA -0.112 4.238 4.350 0.000 0.000 0.260 358 T C 1.946 176.636 174.700 -0.017 0.000 1.039 358 T CA 1.144 63.235 62.100 -0.014 0.000 1.141 358 T CB -0.104 68.757 68.868 -0.012 0.000 0.869 358 T HN 0.465 nan 8.240 nan 0.000 0.437 359 K N 1.464 121.858 120.400 -0.010 0.000 2.002 359 K HA -0.003 4.317 4.320 0.000 0.000 0.209 359 K C 2.726 179.312 176.600 -0.023 0.000 1.048 359 K CA 1.280 57.559 56.287 -0.013 0.000 0.930 359 K CB -0.428 32.072 32.500 -0.001 0.000 0.714 359 K HN 0.254 nan 8.250 nan 0.000 0.438 360 A N 2.111 124.929 122.820 -0.004 0.000 1.927 360 A HA -0.253 4.067 4.320 0.000 0.000 0.220 360 A C 1.911 179.445 177.584 -0.084 0.000 1.185 360 A CA 1.873 53.909 52.037 -0.002 0.000 0.639 360 A CB -0.465 18.576 19.000 0.069 0.000 0.820 360 A HN 0.257 nan 8.150 nan 0.000 0.451 361 K N -0.481 119.887 120.400 -0.053 0.000 2.280 361 K HA -0.096 4.224 4.320 0.000 0.000 0.202 361 K C 1.534 178.083 176.600 -0.084 0.000 1.047 361 K CA 1.056 57.304 56.287 -0.065 0.000 0.942 361 K CB -0.141 32.335 32.500 -0.040 0.000 0.739 361 K HN 0.478 nan 8.250 nan 0.000 0.457 362 N N 1.070 119.722 118.700 -0.080 0.000 2.182 362 N HA -0.098 4.643 4.740 0.000 0.000 0.186 362 N C 1.724 177.170 175.510 -0.107 0.000 1.036 362 N CA 1.059 54.067 53.050 -0.069 0.000 0.850 362 N CB -0.126 38.334 38.487 -0.045 0.000 1.010 362 N HN 0.244 nan 8.380 nan 0.000 0.432 363 Q N 0.516 120.224 119.800 -0.154 0.000 2.152 363 Q HA -0.140 4.200 4.340 0.000 0.000 0.206 363 Q C 1.928 177.690 176.000 -0.395 0.000 0.985 363 Q CA 1.018 56.690 55.803 -0.217 0.000 0.863 363 Q CB -0.135 28.488 28.738 -0.193 0.000 0.904 363 Q HN 0.171 nan 8.270 nan 0.000 0.422 364 L N 1.164 122.053 121.223 -0.557 0.000 2.056 364 L HA -0.133 4.207 4.340 0.000 0.000 0.207 364 L C 1.763 178.577 176.870 -0.095 0.000 1.078 364 L CA 1.844 56.421 54.840 -0.439 0.000 0.749 364 L CB -0.292 41.605 42.059 -0.271 0.000 0.901 364 L HN 0.001 nan 8.230 nan 0.000 0.433 365 K N -0.768 119.592 120.400 -0.067 0.000 2.097 365 K HA -0.046 4.275 4.320 0.000 0.000 0.205 365 K C 2.042 178.686 176.600 0.073 0.000 1.050 365 K CA 1.121 57.422 56.287 0.023 0.000 0.938 365 K CB -0.250 32.249 32.500 -0.002 0.000 0.718 365 K HN 0.434 nan 8.250 nan 0.000 0.442 366 A N 1.093 123.918 122.820 0.009 0.000 1.841 366 A HA -0.155 4.165 4.320 0.000 0.000 0.214 366 A C 2.275 179.876 177.584 0.028 0.000 1.195 366 A CA 2.025 54.070 52.037 0.013 0.000 0.611 366 A CB -1.145 17.848 19.000 -0.013 0.000 0.835 366 A HN 0.205 nan 8.150 nan 0.000 0.443 367 T N -1.146 113.425 114.554 0.027 0.000 2.597 367 T HA -0.278 4.072 4.350 0.000 0.000 0.267 367 T C 1.777 176.519 174.700 0.070 0.000 1.053 367 T CA 2.152 64.289 62.100 0.061 0.000 1.165 367 T CB -0.638 68.304 68.868 0.123 0.000 0.863 367 T HN 0.579 nan 8.240 nan 0.000 0.427 368 Y N 1.528 121.834 120.300 0.010 0.000 2.139 368 Y HA -0.176 4.374 4.550 0.000 0.000 0.282 368 Y C 2.083 177.986 175.900 0.005 0.000 1.179 368 Y CA 1.315 59.421 58.100 0.011 0.000 1.161 368 Y CB -0.595 37.867 38.460 0.003 0.000 0.970 368 Y HN 0.181 nan 8.280 nan 0.000 0.511 369 L N -0.472 120.699 121.223 -0.087 0.000 2.141 369 L HA -0.237 4.104 4.340 0.000 0.000 0.209 369 L C 2.385 179.158 176.870 -0.163 0.000 1.094 369 L CA 1.387 56.129 54.840 -0.163 0.000 0.763 369 L CB -0.342 41.729 42.059 0.020 0.000 0.908 369 L HN 0.409 nan 8.230 nan 0.000 0.437 370 M N -1.695 117.844 119.600 -0.102 0.000 2.287 370 M HA -0.101 4.379 4.480 0.000 0.000 0.266 370 M C 2.396 178.637 176.300 -0.099 0.000 1.079 370 M CA 0.918 56.173 55.300 -0.074 0.000 1.146 370 M CB -0.254 32.327 32.600 -0.033 0.000 1.374 370 M HN 0.085 nan 8.290 nan 0.000 0.435 371 S N 1.131 116.754 115.700 -0.128 0.000 2.407 371 S HA -0.121 4.349 4.470 0.000 0.000 0.235 371 S C 1.688 176.202 174.600 -0.143 0.000 1.036 371 S CA 1.730 59.856 58.200 -0.123 0.000 1.013 371 S CB -0.652 62.465 63.200 -0.138 0.000 0.820 371 S HN 0.535 nan 8.310 nan 0.000 0.476 372 V N -0.647 119.141 119.914 -0.209 0.000 3.499 372 V HA 0.273 4.394 4.120 0.000 0.000 0.308 372 V C 1.313 177.349 176.094 -0.096 0.000 1.319 372 V CA 0.116 62.319 62.300 -0.162 0.000 1.194 372 V CB -0.702 30.987 31.823 -0.224 0.000 1.072 372 V HN 0.271 nan 8.190 nan 0.000 0.426 373 E N 1.961 122.114 120.200 -0.078 0.000 2.046 373 E HA -0.032 4.318 4.350 0.000 0.000 0.190 373 E C 1.198 177.779 176.600 -0.031 0.000 0.982 373 E CA 1.396 57.768 56.400 -0.046 0.000 0.800 373 E CB -0.076 29.602 29.700 -0.037 0.000 0.756 373 E HN 0.819 nan 8.360 nan 0.000 0.449 374 T N -1.638 112.897 114.554 -0.031 0.000 2.897 374 T HA 0.431 4.781 4.350 0.000 0.000 0.294 374 T C 1.117 175.806 174.700 -0.019 0.000 1.004 374 T CA -0.129 61.960 62.100 -0.020 0.000 1.106 374 T CB 1.803 70.660 68.868 -0.019 0.000 0.949 374 T HN 0.062 nan 8.240 nan 0.000 0.520 375 A N 1.530 124.346 122.820 -0.007 0.000 1.917 375 A HA -0.202 4.119 4.320 0.000 0.000 0.219 375 A C 2.385 179.967 177.584 -0.003 0.000 1.182 375 A CA 2.076 54.113 52.037 0.000 0.000 0.633 375 A CB -1.109 17.898 19.000 0.013 0.000 0.819 375 A HN 0.991 nan 8.150 nan 0.000 0.448 376 Q N -0.898 118.891 119.800 -0.018 0.000 2.050 376 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 376 Q C 2.102 178.070 176.000 -0.053 0.000 0.980 376 Q CA 1.689 57.460 55.803 -0.053 0.000 0.840 376 Q CB -0.502 28.182 28.738 -0.090 0.000 0.898 376 Q HN 0.602 nan 8.270 nan 0.000 0.424 377 G N 1.008 109.780 108.800 -0.047 0.000 2.408 377 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 377 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 377 G C 1.322 176.202 174.900 -0.034 0.000 1.150 377 G CA 0.787 45.859 45.100 -0.047 0.000 0.776 377 G HN 0.370 nan 8.290 nan 0.000 0.542 378 L N 0.354 121.560 121.223 -0.029 0.000 1.988 378 L HA 0.121 4.461 4.340 0.000 0.000 0.207 378 L C 2.560 179.434 176.870 0.007 0.000 1.071 378 L CA 1.737 56.564 54.840 -0.021 0.000 0.744 378 L CB -0.836 41.211 42.059 -0.020 0.000 0.893 378 L HN 0.176 nan 8.230 nan 0.000 0.433 379 L N 0.246 121.489 121.223 0.034 0.000 2.081 379 L HA -0.271 4.069 4.340 0.000 0.000 0.212 379 L C 2.238 179.195 176.870 0.146 0.000 1.080 379 L CA 2.270 57.165 54.840 0.092 0.000 0.754 379 L CB -0.906 41.237 42.059 0.139 0.000 0.893 379 L HN 0.567 nan 8.230 nan 0.000 0.433 380 N N -0.878 117.906 118.700 0.140 0.000 2.270 380 N HA -0.216 4.524 4.740 0.000 0.000 0.181 380 N C 1.814 177.353 175.510 0.047 0.000 1.016 380 N CA 1.173 54.336 53.050 0.188 0.000 0.870 380 N CB -0.046 38.501 38.487 0.101 0.000 0.979 380 N HN 0.450 nan 8.380 nan 0.000 0.431 381 E N 0.560 120.770 120.200 0.018 0.000 2.015 381 E HA -0.057 4.293 4.350 0.000 0.000 0.191 381 E C 1.875 178.470 176.600 -0.008 0.000 0.991 381 E CA 1.241 57.655 56.400 0.024 0.000 0.802 381 E CB -0.422 29.301 29.700 0.038 0.000 0.759 381 E HN 0.429 nan 8.360 nan 0.000 0.447 382 I N 0.284 120.840 120.570 -0.023 0.000 2.069 382 I HA -0.296 3.874 4.170 0.000 0.000 0.237 382 I C 2.436 178.418 176.117 -0.225 0.000 1.053 382 I CA 1.599 62.868 61.300 -0.051 0.000 1.311 382 I CB -0.979 36.977 38.000 -0.073 0.000 1.030 382 I HN 0.327 nan 8.210 nan 0.000 0.398 383 G N 0.076 108.563 108.800 -0.523 0.000 2.513 383 G HA2 -0.295 3.665 3.960 0.000 0.000 0.219 383 G HA3 -0.295 3.665 3.960 0.000 0.000 0.219 383 G C 1.735 176.152 174.900 -0.804 0.000 1.160 383 G CA 1.280 45.664 45.100 -1.192 0.000 0.767 383 G HN 0.409 nan 8.290 nan 0.000 0.571 384 S N 0.152 115.577 115.700 -0.459 0.000 2.365 384 S HA -0.162 4.308 4.470 0.000 0.000 0.225 384 S C 2.135 176.685 174.600 -0.083 0.000 1.039 384 S CA 1.689 59.811 58.200 -0.131 0.000 1.033 384 S CB -0.279 62.920 63.200 -0.001 0.000 0.887 384 S HN 0.709 nan 8.310 nan 0.000 0.447 385 E N 1.118 121.272 120.200 -0.077 0.000 2.051 385 E HA -0.004 4.346 4.350 0.000 0.000 0.189 385 E C 1.986 178.560 176.600 -0.044 0.000 0.979 385 E CA 0.750 57.129 56.400 -0.034 0.000 0.803 385 E CB -0.275 29.419 29.700 -0.011 0.000 0.761 385 E HN 0.452 nan 8.360 nan 0.000 0.451 386 A N 0.606 123.377 122.820 -0.081 0.000 2.225 386 A HA -0.102 4.219 4.320 0.000 0.000 0.215 386 A C 1.892 179.436 177.584 -0.066 0.000 1.164 386 A CA 0.832 52.828 52.037 -0.069 0.000 0.710 386 A CB -0.301 18.638 19.000 -0.102 0.000 0.780 386 A HN 0.386 nan 8.150 nan 0.000 0.473 387 L N -1.722 119.457 121.223 -0.074 0.000 2.388 387 L HA 0.328 4.668 4.340 0.000 0.000 0.209 387 L C 1.475 178.352 176.870 0.011 0.000 1.061 387 L CA 1.077 55.903 54.840 -0.023 0.000 0.834 387 L CB -0.005 42.053 42.059 -0.002 0.000 1.029 387 L HN 0.277 nan 8.230 nan 0.000 0.473 388 L N -0.120 121.110 121.223 0.012 0.000 2.653 388 L HA 0.245 4.585 4.340 0.000 0.000 0.232 388 L C 0.327 177.209 176.870 0.021 0.000 1.169 388 L CA 0.733 55.591 54.840 0.029 0.000 0.951 388 L CB -0.499 41.584 42.059 0.040 0.000 1.181 388 L HN 0.548 nan 8.230 nan 0.000 0.460 389 S N -3.498 112.209 115.700 0.011 0.000 4.526 389 S HA -0.012 4.458 4.470 0.000 0.000 0.056 389 S C 0.818 175.423 174.600 0.008 0.000 0.859 389 S CA -0.215 57.992 58.200 0.010 0.000 0.900 389 S CB -1.142 62.063 63.200 0.007 0.000 0.563 389 S HN 0.363 nan 8.310 nan 0.000 0.784 390 G N 1.807 110.611 108.800 0.006 0.000 2.458 390 G HA2 -0.069 3.891 3.960 0.000 0.000 0.300 390 G HA3 -0.069 3.891 3.960 0.000 0.000 0.300 390 G C 0.429 175.338 174.900 0.014 0.000 0.870 390 G CA 1.584 46.689 45.100 0.007 0.000 0.987 390 G HN 1.870 nan 8.290 nan 0.000 0.503 391 T N -4.191 110.375 114.554 0.019 0.000 2.654 391 T HA 0.696 5.046 4.350 0.000 0.000 0.289 391 T C -0.932 173.821 174.700 0.089 0.000 1.062 391 T CA -0.475 61.648 62.100 0.038 0.000 1.041 391 T CB 2.571 71.450 68.868 0.017 0.000 1.417 391 T HN 0.738 nan 8.240 nan 0.000 0.510 392 H N 0.223 119.279 119.070 -0.024 0.000 3.277 392 H HA 0.323 4.879 4.556 0.000 0.000 0.329 392 H C -1.261 174.060 175.328 -0.013 0.000 1.034 392 H CA -0.308 55.728 56.048 -0.020 0.000 1.530 392 H CB 1.401 31.149 29.762 -0.023 0.000 1.837 392 H HN 0.758 nan 8.280 nan 0.000 0.493 393 T N 3.280 117.562 114.554 -0.454 0.000 2.901 393 T HA 0.335 4.685 4.350 0.000 0.000 0.301 393 T C 0.623 175.004 174.700 -0.531 0.000 1.012 393 T CA 0.168 62.052 62.100 -0.360 0.000 1.135 393 T CB 0.606 69.331 68.868 -0.238 0.000 0.936 393 T HN 0.634 nan 8.240 nan 0.000 0.539 394 A N 5.779 128.455 122.820 -0.239 0.000 2.425 394 A HA 0.397 4.717 4.320 0.000 0.000 0.249 394 A C -0.694 176.843 177.584 -0.078 0.000 1.084 394 A CA -1.448 50.530 52.037 -0.099 0.000 0.781 394 A CB 0.064 19.057 19.000 -0.011 0.000 1.019 394 A HN 0.594 nan 8.150 nan 0.000 0.490 395 P HA -0.187 nan 4.420 nan 0.000 0.227 395 P C 1.135 178.438 177.300 0.005 0.000 1.145 395 P CA 1.869 65.014 63.100 0.075 0.000 0.769 395 P CB 0.055 31.869 31.700 0.190 0.000 0.769 396 S N -1.420 114.272 115.700 -0.013 0.000 2.427 396 S HA -0.016 4.454 4.470 0.000 0.000 0.224 396 S C 1.986 176.553 174.600 -0.055 0.000 1.047 396 S CA 0.458 58.644 58.200 -0.024 0.000 0.953 396 S CB -1.377 61.818 63.200 -0.008 0.000 0.824 396 S HN -0.021 nan 8.310 nan 0.000 0.502 397 V N 2.075 121.948 119.914 -0.069 0.000 2.427 397 V HA -0.085 4.035 4.120 0.000 0.000 0.248 397 V C 2.601 178.627 176.094 -0.113 0.000 1.051 397 V CA 1.505 63.756 62.300 -0.081 0.000 1.048 397 V CB -0.856 30.918 31.823 -0.082 0.000 0.666 397 V HN 0.493 nan 8.190 nan 0.000 0.456 398 V N 0.420 120.235 119.914 -0.165 0.000 2.358 398 V HA -0.186 3.934 4.120 0.000 0.000 0.246 398 V C 2.544 178.510 176.094 -0.214 0.000 1.047 398 V CA 2.259 64.414 62.300 -0.242 0.000 1.035 398 V CB -0.364 31.195 31.823 -0.438 0.000 0.658 398 V HN 0.480 nan 8.190 nan 0.000 0.452 399 A N -0.694 122.024 122.820 -0.170 0.000 1.898 399 A HA -0.256 4.064 4.320 0.000 0.000 0.216 399 A C 2.253 179.788 177.584 -0.082 0.000 1.181 399 A CA 1.916 53.885 52.037 -0.113 0.000 0.620 399 A CB -0.709 18.254 19.000 -0.062 0.000 0.819 399 A HN 0.726 nan 8.150 nan 0.000 0.442 400 Q N -0.415 119.341 119.800 -0.073 0.000 2.096 400 Q HA -0.232 4.109 4.340 0.000 0.000 0.204 400 Q C 1.704 177.669 176.000 -0.059 0.000 0.982 400 Q CA 1.730 57.499 55.803 -0.056 0.000 0.850 400 Q CB -0.105 28.604 28.738 -0.050 0.000 0.901 400 Q HN 0.435 nan 8.270 nan 0.000 0.422 401 K N 0.648 121.004 120.400 -0.074 0.000 2.097 401 K HA -0.093 4.227 4.320 0.000 0.000 0.205 401 K C 2.139 178.700 176.600 -0.064 0.000 1.050 401 K CA 0.626 56.872 56.287 -0.068 0.000 0.938 401 K CB -0.435 32.018 32.500 -0.079 0.000 0.718 401 K HN 0.361 nan 8.250 nan 0.000 0.442 402 I N 3.021 123.544 120.570 -0.078 0.000 2.110 402 I HA -0.271 3.899 4.170 0.000 0.000 0.236 402 I C 1.255 177.342 176.117 -0.049 0.000 1.068 402 I CA 2.091 63.352 61.300 -0.065 0.000 1.333 402 I CB -0.872 37.080 38.000 -0.081 0.000 1.054 402 I HN 0.167 nan 8.210 nan 0.000 0.402 403 D N 0.527 120.898 120.400 -0.049 0.000 2.263 403 D HA -0.145 4.495 4.640 0.000 0.000 0.208 403 D C 1.432 177.710 176.300 -0.036 0.000 0.971 403 D CA 0.990 54.967 54.000 -0.039 0.000 0.867 403 D CB -0.832 39.947 40.800 -0.036 0.000 0.929 403 D HN 0.395 nan 8.370 nan 0.000 0.492 404 S N -0.017 115.660 115.700 -0.038 0.000 3.456 404 S HA 0.335 4.805 4.470 0.000 0.000 0.229 404 S C -0.056 174.522 174.600 -0.037 0.000 1.416 404 S CA -0.840 57.339 58.200 -0.035 0.000 1.197 404 S CB -0.393 62.786 63.200 -0.034 0.000 1.201 404 S HN 0.062 nan 8.310 nan 0.000 0.479 405 V N 2.661 122.552 119.914 -0.038 0.000 2.380 405 V HA 0.386 4.506 4.120 0.000 0.000 0.286 405 V C 0.739 176.807 176.094 -0.043 0.000 1.015 405 V CA -0.593 61.681 62.300 -0.044 0.000 0.834 405 V CB 1.266 33.061 31.823 -0.046 0.000 1.009 405 V HN 0.789 nan 8.190 nan 0.000 0.428 406 T N 1.492 116.020 114.554 -0.044 0.000 2.856 406 T HA 0.045 4.395 4.350 0.000 0.000 0.306 406 T C 1.508 176.179 174.700 -0.047 0.000 1.062 406 T CA 0.664 62.740 62.100 -0.041 0.000 1.083 406 T CB 1.304 70.149 68.868 -0.038 0.000 0.984 406 T HN 0.621 nan 8.240 nan 0.000 0.542 407 S N 1.133 116.810 115.700 -0.039 0.000 2.447 407 S HA -0.031 4.440 4.470 0.000 0.000 0.233 407 S C 2.189 176.760 174.600 -0.048 0.000 1.006 407 S CA 1.056 59.233 58.200 -0.039 0.000 0.957 407 S CB -1.132 62.052 63.200 -0.027 0.000 0.773 407 S HN 0.913 nan 8.310 nan 0.000 0.507 408 A N 2.130 124.922 122.820 -0.048 0.000 1.835 408 A HA -0.107 4.214 4.320 0.000 0.000 0.215 408 A C 1.888 179.426 177.584 -0.076 0.000 1.199 408 A CA 1.778 53.784 52.037 -0.052 0.000 0.615 408 A CB -1.175 17.799 19.000 -0.044 0.000 0.838 408 A HN 0.577 nan 8.150 nan 0.000 0.444 409 D N -0.036 120.313 120.400 -0.085 0.000 2.204 409 D HA -0.204 4.436 4.640 0.000 0.000 0.189 409 D C 2.074 178.266 176.300 -0.180 0.000 1.006 409 D CA 2.039 55.965 54.000 -0.124 0.000 0.855 409 D CB -0.959 39.773 40.800 -0.114 0.000 0.946 409 D HN 0.212 nan 8.370 nan 0.000 0.448 410 V N 1.137 120.957 119.914 -0.157 0.000 2.252 410 V HA -0.248 3.872 4.120 0.000 0.000 0.249 410 V C 2.785 178.778 176.094 -0.169 0.000 1.056 410 V CA 1.535 63.727 62.300 -0.181 0.000 1.022 410 V CB -0.680 31.081 31.823 -0.104 0.000 0.641 410 V HN 0.071 nan 8.190 nan 0.000 0.445 411 V N 0.578 120.428 119.914 -0.106 0.000 2.568 411 V HA -0.234 3.886 4.120 0.000 0.000 0.253 411 V C 2.272 178.315 176.094 -0.086 0.000 1.072 411 V CA 1.945 64.201 62.300 -0.073 0.000 1.084 411 V CB -0.960 30.836 31.823 -0.044 0.000 0.676 411 V HN 0.569 nan 8.190 nan 0.000 0.469 412 N N 0.730 119.358 118.700 -0.121 0.000 2.135 412 N HA -0.080 4.660 4.740 0.000 0.000 0.186 412 N C 2.040 177.444 175.510 -0.176 0.000 1.027 412 N CA 1.669 54.648 53.050 -0.118 0.000 0.849 412 N CB -0.520 37.895 38.487 -0.119 0.000 1.002 412 N HN 0.467 nan 8.380 nan 0.000 0.425 413 A N 1.444 124.045 122.820 -0.366 0.000 1.873 413 A HA -0.139 4.181 4.320 0.000 0.000 0.218 413 A C 2.392 179.803 177.584 -0.288 0.000 1.193 413 A CA 2.469 54.085 52.037 -0.700 0.000 0.629 413 A CB -1.105 17.092 19.000 -1.338 0.000 0.826 413 A HN 0.342 nan 8.150 nan 0.000 0.447 414 A N -0.640 122.073 122.820 -0.178 0.000 1.986 414 A HA -0.220 4.100 4.320 0.000 0.000 0.220 414 A C 2.124 179.799 177.584 0.153 0.000 1.171 414 A CA 2.020 54.078 52.037 0.034 0.000 0.640 414 A CB -0.436 18.575 19.000 0.019 0.000 0.811 414 A HN 0.608 nan 8.150 nan 0.000 0.451 415 K N -0.627 119.814 120.400 0.069 0.000 2.031 415 K HA -0.104 4.216 4.320 0.000 0.000 0.205 415 K C 2.175 178.846 176.600 0.118 0.000 1.049 415 K CA 1.349 57.689 56.287 0.087 0.000 0.939 415 K CB -0.185 32.333 32.500 0.030 0.000 0.717 415 K HN 0.474 nan 8.250 nan 0.000 0.438 416 K N 0.537 121.001 120.400 0.107 0.000 2.173 416 K HA -0.215 4.105 4.320 0.000 0.000 0.207 416 K C 1.935 178.650 176.600 0.191 0.000 1.046 416 K CA 1.358 57.726 56.287 0.134 0.000 0.929 416 K CB -0.134 32.477 32.500 0.185 0.000 0.720 416 K HN 0.078 nan 8.250 nan 0.000 0.453 417 F N 0.502 120.546 119.950 0.157 0.000 2.118 417 F HA -0.129 4.398 4.527 0.000 0.000 0.293 417 F C 1.673 177.559 175.800 0.143 0.000 1.102 417 F CA 1.141 59.265 58.000 0.207 0.000 1.247 417 F CB -0.214 38.993 39.000 0.344 0.000 1.017 417 F HN -0.210 nan 8.300 nan 0.000 0.475 418 V N 0.438 120.465 119.914 0.188 0.000 2.594 418 V HA -0.228 3.892 4.120 0.000 0.000 0.253 418 V C 2.407 178.468 176.094 -0.055 0.000 1.069 418 V CA 1.764 64.094 62.300 0.051 0.000 1.082 418 V CB -1.395 30.534 31.823 0.176 0.000 0.680 418 V HN 0.583 nan 8.190 nan 0.000 0.469 419 S N 0.288 115.969 115.700 -0.031 0.000 2.456 419 S HA 0.212 4.682 4.470 0.000 0.000 0.224 419 S C 1.394 175.944 174.600 -0.084 0.000 1.035 419 S CA 0.419 58.594 58.200 -0.042 0.000 0.940 419 S CB -0.360 62.834 63.200 -0.009 0.000 0.799 419 S HN 0.568 nan 8.310 nan 0.000 0.508 420 G N 1.498 110.232 108.800 -0.110 0.000 2.636 420 G HA2 0.313 4.273 3.960 0.000 0.000 0.246 420 G HA3 0.313 4.273 3.960 0.000 0.000 0.246 420 G C -0.571 174.214 174.900 -0.192 0.000 1.216 420 G CA -0.678 44.332 45.100 -0.150 0.000 0.854 420 G HN 0.510 nan 8.290 nan 0.000 0.572 421 K N 0.310 120.591 120.400 -0.198 0.000 2.350 421 K HA 0.211 4.531 4.320 0.000 0.000 0.279 421 K C 0.038 176.570 176.600 -0.113 0.000 1.027 421 K CA 0.057 56.262 56.287 -0.136 0.000 0.969 421 K CB 0.328 32.783 32.500 -0.076 0.000 0.954 421 K HN 0.374 nan 8.250 nan 0.000 0.474 422 K N 1.388 121.735 120.400 -0.087 0.000 2.156 422 K HA 0.285 4.605 4.320 0.000 0.000 0.250 422 K C -0.949 175.619 176.600 -0.054 0.000 0.955 422 K CA -0.828 55.416 56.287 -0.072 0.000 0.855 422 K CB 1.861 34.258 32.500 -0.171 0.000 1.101 422 K HN 0.680 nan 8.250 nan 0.000 0.434 423 S N 1.676 117.334 115.700 -0.070 0.000 2.521 423 S HA 0.650 5.120 4.470 0.000 0.000 0.295 423 S C -0.711 173.776 174.600 -0.189 0.000 1.098 423 S CA -0.970 57.111 58.200 -0.198 0.000 0.999 423 S CB 1.306 64.326 63.200 -0.300 0.000 1.034 423 S HN 0.681 nan 8.310 nan 0.000 0.483 424 M N 2.390 121.862 119.600 -0.213 0.000 2.572 424 M HA 0.788 5.268 4.480 0.000 0.000 0.299 424 M C -2.002 174.185 176.300 -0.189 0.000 1.205 424 M CA -0.730 54.448 55.300 -0.203 0.000 0.876 424 M CB 2.181 34.671 32.600 -0.183 0.000 1.728 424 M HN 1.040 nan 8.290 nan 0.000 0.458 425 A N 2.657 125.366 122.820 -0.185 0.000 2.437 425 A HA 0.909 5.229 4.320 0.000 0.000 0.293 425 A C -1.692 175.799 177.584 -0.156 0.000 1.038 425 A CA -0.358 51.595 52.037 -0.141 0.000 0.708 425 A CB 1.383 20.327 19.000 -0.094 0.000 1.251 425 A HN 1.124 nan 8.150 nan 0.000 0.409 426 A N 1.475 124.214 122.820 -0.134 0.000 2.486 426 A HA 0.930 5.250 4.320 0.000 0.000 0.300 426 A C -0.258 177.281 177.584 -0.076 0.000 1.048 426 A CA 0.101 52.063 52.037 -0.125 0.000 0.696 426 A CB 1.453 20.359 19.000 -0.157 0.000 1.278 426 A HN 2.213 nan 8.150 nan 0.000 0.405 427 S N 0.592 116.272 115.700 -0.033 0.000 2.569 427 S HA 0.985 5.456 4.470 0.000 0.000 0.280 427 S C 0.106 174.730 174.600 0.040 0.000 1.111 427 S CA 0.065 58.264 58.200 -0.001 0.000 0.887 427 S CB 1.508 64.714 63.200 0.010 0.000 1.095 427 S HN 2.807 nan 8.310 nan 0.000 0.476 428 G N 1.047 109.869 108.800 0.036 0.000 2.280 428 G HA2 0.065 4.025 3.960 0.000 0.000 0.277 428 G HA3 0.065 4.025 3.960 0.000 0.000 0.277 428 G C -1.642 173.261 174.900 0.005 0.000 1.288 428 G CA -0.302 44.839 45.100 0.069 0.000 1.075 428 G HN 0.891 nan 8.290 nan 0.000 0.480 429 D N 1.559 121.967 120.400 0.014 0.000 2.483 429 D HA 0.301 4.942 4.640 0.000 0.000 0.220 429 D C 1.649 177.934 176.300 -0.025 0.000 1.173 429 D CA -0.300 53.693 54.000 -0.013 0.000 0.964 429 D CB -0.107 40.690 40.800 -0.006 0.000 1.046 429 D HN 0.395 nan 8.370 nan 0.000 0.517 430 L N 2.570 123.768 121.223 -0.043 0.000 2.737 430 L HA 0.116 4.456 4.340 0.000 0.000 0.246 430 L C 2.300 179.136 176.870 -0.057 0.000 1.153 430 L CA -0.061 54.736 54.840 -0.071 0.000 0.920 430 L CB -0.303 41.685 42.059 -0.117 0.000 1.090 430 L HN 0.349 nan 8.230 nan 0.000 0.430 431 G N -0.187 108.595 108.800 -0.030 0.000 2.485 431 G HA2 -0.224 3.736 3.960 0.000 0.000 0.221 431 G HA3 -0.224 3.736 3.960 0.000 0.000 0.221 431 G C 1.472 176.371 174.900 -0.002 0.000 1.115 431 G CA 0.893 45.987 45.100 -0.009 0.000 0.751 431 G HN 0.434 nan 8.290 nan 0.000 0.567 432 S N -0.439 115.249 115.700 -0.020 0.000 2.629 432 S HA 0.175 4.645 4.470 0.000 0.000 0.236 432 S C 0.442 175.032 174.600 -0.018 0.000 1.010 432 S CA -0.322 57.872 58.200 -0.010 0.000 0.981 432 S CB 0.778 63.962 63.200 -0.026 0.000 0.919 432 S HN 0.239 nan 8.310 nan 0.000 0.514 433 T N 5.686 120.208 114.554 -0.053 0.000 2.779 433 T HA 0.244 4.594 4.350 0.000 0.000 0.296 433 T C -2.264 172.376 174.700 -0.099 0.000 0.938 433 T CA -0.980 61.069 62.100 -0.086 0.000 1.119 433 T CB 0.699 69.486 68.868 -0.136 0.000 0.891 433 T HN 0.170 nan 8.240 nan 0.000 0.526 434 P HA 0.225 nan 4.420 nan 0.000 0.272 434 P C -0.658 176.631 177.300 -0.018 0.000 1.230 434 P CA -0.485 62.644 63.100 0.048 0.000 0.788 434 P CB 0.552 32.289 31.700 0.063 0.000 0.949 435 F N 0.650 120.590 119.950 -0.017 0.000 2.371 435 F HA 0.104 4.631 4.527 0.000 0.000 0.329 435 F C 1.948 177.730 175.800 -0.030 0.000 1.107 435 F CA -0.415 57.568 58.000 -0.028 0.000 1.137 435 F CB 0.124 39.108 39.000 -0.027 0.000 1.214 435 F HN 0.129 nan 8.300 nan 0.000 0.536 436 L N 1.916 123.204 121.223 0.108 0.000 2.137 436 L HA -0.238 4.102 4.340 0.000 0.000 0.213 436 L C 1.951 178.850 176.870 0.048 0.000 1.085 436 L CA 1.845 56.706 54.840 0.035 0.000 0.760 436 L CB -0.858 41.186 42.059 -0.025 0.000 0.893 436 L HN 0.703 nan 8.230 nan 0.000 0.434 437 D N -1.689 118.759 120.400 0.079 0.000 2.325 437 D HA -0.091 4.550 4.640 0.000 0.000 0.234 437 D C 0.548 176.875 176.300 0.044 0.000 1.122 437 D CA 0.236 54.261 54.000 0.040 0.000 0.850 437 D CB -0.055 40.755 40.800 0.017 0.000 0.921 437 D HN 0.557 nan 8.370 nan 0.000 0.513 438 E N 0.344 120.588 120.200 0.073 0.000 2.693 438 E HA 0.256 4.606 4.350 0.000 0.000 0.214 438 E C 0.326 176.963 176.600 0.061 0.000 0.990 438 E CA -0.202 56.237 56.400 0.065 0.000 1.047 438 E CB 1.152 30.909 29.700 0.094 0.000 1.039 438 E HN 0.246 nan 8.360 nan 0.000 0.475 439 L N 0.000 121.259 121.223 0.060 0.000 2.949 439 L HA 0.000 4.340 4.340 0.000 0.000 0.249 439 L CA 0.000 54.883 54.840 0.071 0.000 0.813 439 L CB 0.000 42.116 42.059 0.096 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502