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 1tt5_1_B DATA FIRST_RESID 9 DATA SEQUENCE MKLDWEGRWN HVKKFLERSG PFTHPDFEPS TESLQFLLDT CKVLVIGAGG DATA SEQUENCE LGCELLKNLA LSGFRQIHVI DMDTIDVSNL NRQFLFRPKD IGRPKAEVAA DATA SEQUENCE EFLNDRVPNC NVVPHFNKIQ DFNDTFYRQF HIIVCGLDSI IARRWINGML DATA SEQUENCE ISLLNYEDGV LDPSSIVPLI DGGTEGFKGN ARVILPGMTA CIECTLELYP DATA SEQUENCE PQVNFPMCTI ASMPRLPEHC IEYVRMLQWP KEQPFGEGVP LDGDDPEHIQ DATA SEQUENCE WIFQKSLERA SQYNIRGVTY RLTQGVVKRI IPAVASTNAV IAAVCATEVF DATA SEQUENCE KIATSAYIPL NNYLVFNDVD GLYTYTFEAE RKENCPACSQ LPQNIQFXXX DATA SEQUENCE XXLQEVLDYL TNSASLQMKS PAITATXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXNRTLYLQS DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXVTSIEERT DATA SEQUENCE RPXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XLSKXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XGLVDGQEXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XLAVADVXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XTTPQTVLFK 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 9 M HA 0.000 nan 4.480 nan 0.000 0.227 9 M C 0.000 176.339 176.300 0.066 0.000 1.140 9 M CA 0.000 55.335 55.300 0.058 0.000 0.988 9 M CB 0.000 32.640 32.600 0.067 0.000 1.302 10 K N 1.291 121.737 120.400 0.077 0.000 2.148 10 K HA 0.599 4.919 4.320 0.000 0.000 0.239 10 K C 0.532 177.185 176.600 0.089 0.000 1.018 10 K CA -0.561 55.768 56.287 0.070 0.000 0.923 10 K CB 1.136 33.670 32.500 0.058 0.000 1.117 10 K HN 0.973 nan 8.250 nan 0.000 0.477 11 L N 0.384 121.650 121.223 0.073 0.000 1.970 11 L HA -0.181 4.159 4.340 0.000 0.000 0.212 11 L C 0.452 177.347 176.870 0.041 0.000 1.071 11 L CA 1.432 56.318 54.840 0.077 0.000 0.751 11 L CB -0.238 41.861 42.059 0.067 0.000 0.889 11 L HN 0.424 nan 8.230 nan 0.000 0.432 12 D N -0.258 120.128 120.400 -0.023 0.000 2.359 12 D HA 0.186 4.826 4.640 0.000 0.000 0.230 12 D C -0.323 175.886 176.300 -0.152 0.000 1.118 12 D CA -0.344 53.513 54.000 -0.238 0.000 0.844 12 D CB 0.672 41.378 40.800 -0.156 0.000 1.059 12 D HN 0.089 nan 8.370 nan 0.000 0.493 13 W N 1.173 122.431 121.300 -0.069 0.000 2.034 13 W HA 0.239 4.899 4.660 0.000 0.000 0.357 13 W C 0.568 177.050 176.519 -0.062 0.000 1.326 13 W CA -0.746 56.564 57.345 -0.059 0.000 1.318 13 W CB 0.096 29.513 29.460 -0.071 0.000 1.193 13 W HN 0.088 nan 8.180 nan 0.000 0.620 14 E N 0.899 121.248 120.200 0.249 0.000 2.465 14 E HA 0.121 4.471 4.350 0.000 0.000 0.260 14 E C 1.220 177.905 176.600 0.141 0.000 0.980 14 E CA 1.636 58.118 56.400 0.136 0.000 0.927 14 E CB 0.520 30.292 29.700 0.120 0.000 0.934 14 E HN 0.914 nan 8.360 nan 0.000 0.459 15 G N 4.228 113.047 108.800 0.031 0.000 2.187 15 G HA2 -0.412 3.548 3.960 0.000 0.000 0.261 15 G HA3 -0.412 3.548 3.960 0.000 0.000 0.261 15 G C 1.160 176.025 174.900 -0.058 0.000 1.000 15 G CA 0.979 46.087 45.100 0.013 0.000 0.718 15 G HN 0.629 nan 8.290 nan 0.000 0.519 16 R N -0.748 119.545 120.500 -0.346 0.000 2.083 16 R HA -0.099 4.241 4.340 0.000 0.000 0.237 16 R C 1.693 177.609 176.300 -0.641 0.000 1.137 16 R CA 1.994 57.614 56.100 -0.800 0.000 0.951 16 R CB -0.225 28.961 30.300 -1.856 0.000 0.851 16 R HN 0.619 nan 8.270 nan 0.000 0.434 17 W N 0.554 121.792 121.300 -0.104 0.000 3.223 17 W HA 0.249 4.909 4.660 0.000 0.000 0.389 17 W C 1.044 177.578 176.519 0.025 0.000 1.118 17 W CA -1.029 56.305 57.345 -0.018 0.000 1.902 17 W CB 0.263 29.700 29.460 -0.040 0.000 1.094 17 W HN 0.119 nan 8.180 nan 0.000 0.666 18 N N 0.404 119.182 118.700 0.131 0.000 2.192 18 N HA -0.208 4.532 4.740 0.000 0.000 0.188 18 N C 0.937 176.439 175.510 -0.014 0.000 1.013 18 N CA 1.508 54.564 53.050 0.010 0.000 0.863 18 N CB -0.407 38.004 38.487 -0.127 0.000 0.990 18 N HN 0.390 nan 8.380 nan 0.000 0.430 19 H N -1.387 117.774 119.070 0.152 0.000 2.551 19 H HA 0.169 4.725 4.556 0.000 0.000 0.266 19 H C 1.523 177.011 175.328 0.267 0.000 0.977 19 H CA 0.291 56.445 56.048 0.177 0.000 1.163 19 H CB 0.550 30.400 29.762 0.147 0.000 1.381 19 H HN -0.005 nan 8.280 nan 0.000 0.581 20 V N -0.443 119.694 119.914 0.372 0.000 2.908 20 V HA -0.057 4.063 4.120 0.000 0.000 0.240 20 V C 1.908 178.220 176.094 0.364 0.000 1.117 20 V CA 0.530 63.050 62.300 0.367 0.000 1.133 20 V CB 0.118 32.118 31.823 0.295 0.000 0.857 20 V HN 0.189 nan 8.190 nan 0.000 0.478 21 K N 0.863 121.412 120.400 0.250 0.000 2.089 21 K HA -0.259 4.061 4.320 0.000 0.000 0.210 21 K C 2.091 178.757 176.600 0.110 0.000 1.048 21 K CA 1.801 58.189 56.287 0.168 0.000 0.926 21 K CB -0.265 32.307 32.500 0.120 0.000 0.714 21 K HN 0.388 nan 8.250 nan 0.000 0.448 22 K N -0.118 120.277 120.400 -0.008 0.000 2.160 22 K HA -0.162 4.158 4.320 0.000 0.000 0.206 22 K C 1.700 178.130 176.600 -0.284 0.000 1.047 22 K CA 1.447 57.608 56.287 -0.210 0.000 0.930 22 K CB -0.179 32.076 32.500 -0.409 0.000 0.720 22 K HN 0.159 nan 8.250 nan 0.000 0.450 23 F N 0.006 120.062 119.950 0.176 0.000 2.797 23 F HA 0.101 4.628 4.527 0.000 0.000 0.302 23 F C 1.608 177.537 175.800 0.215 0.000 1.130 23 F CA 0.298 58.415 58.000 0.196 0.000 1.387 23 F CB 0.204 39.381 39.000 0.294 0.000 1.107 23 F HN -0.102 nan 8.300 nan 0.000 0.577 24 L N -1.225 120.220 121.223 0.369 0.000 2.609 24 L HA 0.166 4.506 4.340 0.000 0.000 0.230 24 L C 1.434 178.480 176.870 0.293 0.000 1.064 24 L CA 0.451 55.525 54.840 0.390 0.000 0.873 24 L CB -0.074 42.145 42.059 0.267 0.000 1.139 24 L HN 0.032 nan 8.230 nan 0.000 0.490 25 E N 0.593 120.900 120.200 0.178 0.000 2.472 25 E HA 0.131 4.482 4.350 0.000 0.000 0.196 25 E C 0.116 176.767 176.600 0.085 0.000 1.033 25 E CA -0.025 56.431 56.400 0.092 0.000 0.886 25 E CB 0.632 30.361 29.700 0.048 0.000 0.944 25 E HN 0.347 nan 8.360 nan 0.000 0.492 26 R N 1.093 121.670 120.500 0.128 0.000 2.589 26 R HA 0.312 4.652 4.340 0.000 0.000 0.293 26 R C -0.047 176.363 176.300 0.184 0.000 0.963 26 R CA -0.461 55.694 56.100 0.092 0.000 0.905 26 R CB 1.771 32.079 30.300 0.013 0.000 1.144 26 R HN -0.019 nan 8.270 nan 0.000 0.459 27 S N 0.278 116.056 115.700 0.131 0.000 2.624 27 S HA 0.712 5.182 4.470 0.000 0.000 0.263 27 S C 0.371 175.018 174.600 0.077 0.000 1.287 27 S CA -0.387 57.911 58.200 0.163 0.000 0.990 27 S CB 1.545 64.790 63.200 0.075 0.000 0.950 27 S HN 0.774 nan 8.310 nan 0.000 0.561 28 G N -0.548 108.273 108.800 0.036 0.000 2.646 28 G HA2 0.563 4.523 3.960 0.000 0.000 0.291 28 G HA3 0.563 4.523 3.960 0.000 0.000 0.291 28 G C -2.827 172.005 174.900 -0.114 0.000 1.445 28 G CA -1.113 43.958 45.100 -0.048 0.000 0.814 28 G HN 0.494 nan 8.290 nan 0.000 0.495 29 P HA 0.185 nan 4.420 nan 0.000 0.227 29 P C 0.740 177.812 177.300 -0.380 0.000 1.161 29 P CA 0.681 63.524 63.100 -0.429 0.000 0.788 29 P CB 0.133 31.376 31.700 -0.761 0.000 0.822 30 F N -1.827 118.157 119.950 0.057 0.000 2.678 30 F HA 0.187 4.714 4.527 0.000 0.000 0.305 30 F C 1.183 176.967 175.800 -0.027 0.000 1.090 30 F CA -0.495 57.563 58.000 0.096 0.000 1.272 30 F CB -0.283 38.872 39.000 0.258 0.000 1.060 30 F HN -0.310 nan 8.300 nan 0.000 0.576 31 T N -0.199 114.306 114.554 -0.080 0.000 2.788 31 T HA -0.181 4.169 4.350 0.000 0.000 0.333 31 T C -0.096 174.572 174.700 -0.054 0.000 1.090 31 T CA 0.166 62.072 62.100 -0.322 0.000 1.094 31 T CB 0.118 68.851 68.868 -0.224 0.000 0.999 31 T HN 0.324 nan 8.240 nan 0.000 0.549 32 H N 2.349 121.330 119.070 -0.149 0.000 2.652 32 H HA 0.187 4.743 4.556 0.000 0.000 0.349 32 H C -1.624 173.753 175.328 0.083 0.000 1.099 32 H CA -1.559 54.498 56.048 0.015 0.000 1.417 32 H CB 0.956 30.738 29.762 0.033 0.000 1.457 32 H HN 0.316 nan 8.280 nan 0.000 0.568 33 P HA -0.220 nan 4.420 nan 0.000 0.217 33 P C 0.361 177.829 177.300 0.281 0.000 1.158 33 P CA 1.601 64.799 63.100 0.163 0.000 0.887 33 P CB 0.216 31.929 31.700 0.022 0.000 0.792 34 D N -1.832 118.861 120.400 0.489 0.000 2.323 34 D HA 0.009 4.649 4.640 0.000 0.000 0.239 34 D C 0.220 176.572 176.300 0.088 0.000 1.129 34 D CA 0.124 54.238 54.000 0.191 0.000 0.865 34 D CB -0.601 40.257 40.800 0.097 0.000 0.913 34 D HN 0.200 nan 8.370 nan 0.000 0.517 35 F N 1.882 121.845 119.950 0.022 0.000 2.396 35 F HA 0.264 4.791 4.527 0.000 0.000 0.343 35 F C 0.114 175.886 175.800 -0.047 0.000 1.104 35 F CA -0.240 57.725 58.000 -0.057 0.000 1.161 35 F CB 0.904 39.876 39.000 -0.046 0.000 1.146 35 F HN -0.331 nan 8.300 nan 0.000 0.522 36 E N 7.079 126.636 120.200 -1.071 0.000 2.275 36 E HA 0.298 4.648 4.350 0.000 0.000 0.270 36 E C -2.597 173.311 176.600 -1.155 0.000 0.882 36 E CA -2.169 53.739 56.400 -0.819 0.000 0.758 36 E CB 1.785 31.242 29.700 -0.405 0.000 1.195 36 E HN 0.366 nan 8.360 nan 0.000 0.419 37 P HA 0.087 nan 4.420 nan 0.000 0.267 37 P C -0.353 176.786 177.300 -0.270 0.000 1.200 37 P CA -0.008 62.861 63.100 -0.384 0.000 0.772 37 P CB 0.965 32.616 31.700 -0.081 0.000 0.855 38 S N 0.076 115.685 115.700 -0.151 0.000 2.558 38 S HA 0.259 4.729 4.470 0.000 0.000 0.277 38 S C -0.226 174.346 174.600 -0.047 0.000 1.143 38 S CA -0.446 57.687 58.200 -0.112 0.000 0.865 38 S CB 1.115 64.221 63.200 -0.156 0.000 1.102 38 S HN 0.443 nan 8.310 nan 0.000 0.454 39 T N 2.376 116.906 114.554 -0.040 0.000 3.264 39 T HA 0.371 4.721 4.350 0.000 0.000 0.257 39 T C 0.205 174.888 174.700 -0.027 0.000 0.976 39 T CA 0.047 62.136 62.100 -0.019 0.000 0.908 39 T CB -0.491 68.369 68.868 -0.013 0.000 1.082 39 T HN 0.668 nan 8.240 nan 0.000 0.567 40 E N -0.987 119.188 120.200 -0.041 0.000 2.712 40 E HA 0.153 4.503 4.350 0.000 0.000 0.221 40 E C 1.495 178.072 176.600 -0.038 0.000 0.943 40 E CA -0.064 56.311 56.400 -0.042 0.000 1.259 40 E CB 0.144 29.812 29.700 -0.052 0.000 1.167 40 E HN 0.243 nan 8.360 nan 0.000 0.569 41 S N 1.135 116.811 115.700 -0.040 0.000 2.395 41 S HA -0.046 4.424 4.470 0.000 0.000 0.225 41 S C 1.875 176.457 174.600 -0.029 0.000 1.027 41 S CA 0.431 58.616 58.200 -0.024 0.000 0.965 41 S CB 0.081 63.267 63.200 -0.023 0.000 0.812 41 S HN 0.241 nan 8.310 nan 0.000 0.482 42 L N 1.968 123.150 121.223 -0.067 0.000 2.131 42 L HA -0.014 4.327 4.340 0.000 0.000 0.210 42 L C 2.286 179.025 176.870 -0.218 0.000 1.092 42 L CA 1.772 56.511 54.840 -0.169 0.000 0.759 42 L CB -0.764 41.197 42.059 -0.164 0.000 0.903 42 L HN 0.247 nan 8.230 nan 0.000 0.435 43 Q N -1.081 118.648 119.800 -0.118 0.000 2.079 43 Q HA -0.202 4.138 4.340 0.000 0.000 0.200 43 Q C 2.219 178.167 176.000 -0.086 0.000 0.974 43 Q CA 1.798 57.541 55.803 -0.101 0.000 0.840 43 Q CB -0.693 28.018 28.738 -0.044 0.000 0.898 43 Q HN 0.617 nan 8.270 nan 0.000 0.430 44 F N 1.107 120.945 119.950 -0.187 0.000 2.161 44 F HA -0.210 4.317 4.527 0.000 0.000 0.300 44 F C 1.738 177.385 175.800 -0.255 0.000 1.089 44 F CA 0.818 58.700 58.000 -0.197 0.000 1.282 44 F CB -0.212 38.666 39.000 -0.204 0.000 1.010 44 F HN 0.003 nan 8.300 nan 0.000 0.485 45 L N 0.215 121.128 121.223 -0.517 0.000 2.027 45 L HA -0.143 4.197 4.340 0.000 0.000 0.206 45 L C 2.340 178.863 176.870 -0.577 0.000 1.074 45 L CA 1.629 56.009 54.840 -0.767 0.000 0.745 45 L CB -1.092 40.525 42.059 -0.738 0.000 0.898 45 L HN 0.202 nan 8.230 nan 0.000 0.433 46 L N -1.151 119.814 121.223 -0.430 0.000 2.156 46 L HA -0.123 4.217 4.340 0.000 0.000 0.208 46 L C 1.608 178.365 176.870 -0.189 0.000 1.095 46 L CA 0.810 55.469 54.840 -0.301 0.000 0.770 46 L CB -0.356 41.539 42.059 -0.274 0.000 0.914 46 L HN 0.269 nan 8.230 nan 0.000 0.439 47 D N -2.000 118.285 120.400 -0.192 0.000 2.431 47 D HA -0.030 4.611 4.640 0.000 0.000 0.227 47 D C 1.963 178.194 176.300 -0.114 0.000 1.030 47 D CA 1.504 55.437 54.000 -0.112 0.000 0.897 47 D CB 0.453 41.218 40.800 -0.058 0.000 1.058 47 D HN 0.297 nan 8.370 nan 0.000 0.500 48 T N -2.879 111.538 114.554 -0.228 0.000 2.992 48 T HA 0.070 4.420 4.350 0.000 0.000 0.255 48 T C 0.915 175.419 174.700 -0.327 0.000 0.938 48 T CA -0.274 61.727 62.100 -0.164 0.000 0.895 48 T CB -0.516 68.380 68.868 0.047 0.000 1.221 48 T HN 0.063 nan 8.240 nan 0.000 0.512 49 C N 4.243 122.982 119.300 -0.935 0.000 2.662 49 C HA 0.375 4.835 4.460 0.000 0.000 0.402 49 C C 0.392 175.298 174.990 -0.140 0.000 1.397 49 C CA -0.498 57.942 59.018 -0.963 0.000 1.575 49 C CB -1.584 25.402 27.740 -1.257 0.000 2.406 49 C HN 0.416 nan 8.230 nan 0.000 0.609 50 K N 5.160 125.722 120.400 0.269 0.000 2.248 50 K HA 0.526 4.846 4.320 0.000 0.000 0.281 50 K C -0.700 176.145 176.600 0.408 0.000 1.054 50 K CA -0.328 56.155 56.287 0.326 0.000 0.903 50 K CB 1.335 33.940 32.500 0.176 0.000 1.077 50 K HN 0.532 nan 8.250 nan 0.000 0.474 51 V N 4.591 124.691 119.914 0.310 0.000 2.495 51 V HA 0.307 4.427 4.120 0.000 0.000 0.298 51 V C -0.756 175.343 176.094 0.009 0.000 1.031 51 V CA -1.074 61.297 62.300 0.118 0.000 0.871 51 V CB 1.570 33.323 31.823 -0.116 0.000 0.988 51 V HN 0.551 nan 8.190 nan 0.000 0.432 52 L N 6.352 127.382 121.223 -0.321 0.000 2.287 52 L HA 0.688 5.029 4.340 0.000 0.000 0.287 52 L C -0.518 176.202 176.870 -0.250 0.000 1.022 52 L CA 0.057 54.553 54.840 -0.574 0.000 0.814 52 L CB 1.679 42.879 42.059 -1.432 0.000 1.217 52 L HN 0.436 nan 8.230 nan 0.000 0.420 53 V N 6.865 126.714 119.914 -0.108 0.000 2.350 53 V HA 0.355 4.475 4.120 0.000 0.000 0.276 53 V C -0.082 176.008 176.094 -0.005 0.000 1.028 53 V CA -0.358 61.909 62.300 -0.054 0.000 0.860 53 V CB 1.185 32.993 31.823 -0.026 0.000 0.990 53 V HN 0.561 nan 8.190 nan 0.000 0.453 54 I N 5.066 125.636 120.570 0.001 0.000 2.301 54 I HA 0.716 4.886 4.170 0.000 0.000 0.292 54 I C 0.730 176.875 176.117 0.045 0.000 1.046 54 I CA 0.279 61.609 61.300 0.051 0.000 1.282 54 I CB 0.722 38.760 38.000 0.063 0.000 1.409 54 I HN 0.850 nan 8.210 nan 0.000 0.484 55 G N 4.387 113.225 108.800 0.063 0.000 3.055 55 G HA2 0.289 4.249 3.960 0.000 0.000 0.685 55 G HA3 0.289 4.249 3.960 0.000 0.000 0.685 55 G C -0.192 174.732 174.900 0.041 0.000 1.212 55 G CA -0.385 44.745 45.100 0.051 0.000 0.822 55 G HN 0.875 nan 8.290 nan 0.000 0.610 56 A N 1.007 123.863 122.820 0.061 0.000 2.431 56 A HA 0.761 5.081 4.320 0.000 0.000 0.239 56 A C 1.278 178.910 177.584 0.081 0.000 1.230 56 A CA 1.273 53.355 52.037 0.075 0.000 0.928 56 A CB 0.301 19.384 19.000 0.138 0.000 1.006 56 A HN 2.180 nan 8.150 nan 0.000 0.520 57 G N -1.904 106.926 108.800 0.050 0.000 2.371 57 G HA2 0.512 4.472 3.960 0.000 0.000 0.326 57 G HA3 0.512 4.472 3.960 0.000 0.000 0.326 57 G C 1.012 175.890 174.900 -0.036 0.000 1.127 57 G CA 0.071 45.192 45.100 0.035 0.000 0.885 57 G HN 1.183 nan 8.290 nan 0.000 0.477 58 G N 1.204 109.958 108.800 -0.076 0.000 3.773 58 G HA2 -0.414 3.546 3.960 0.000 0.000 0.355 58 G HA3 -0.414 3.546 3.960 0.000 0.000 0.355 58 G C 1.593 176.437 174.900 -0.094 0.000 1.323 58 G CA 1.130 46.179 45.100 -0.085 0.000 1.103 58 G HN 0.847 nan 8.290 nan 0.000 0.716 59 L N 1.836 123.023 121.223 -0.060 0.000 2.141 59 L HA 0.123 4.463 4.340 0.000 0.000 0.209 59 L C 3.302 180.128 176.870 -0.074 0.000 1.094 59 L CA 1.475 56.282 54.840 -0.054 0.000 0.763 59 L CB -0.847 41.191 42.059 -0.036 0.000 0.908 59 L HN 0.582 nan 8.230 nan 0.000 0.437 60 G N -0.462 108.289 108.800 -0.082 0.000 2.491 60 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 60 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 60 G C 1.614 176.417 174.900 -0.161 0.000 1.180 60 G CA 1.159 46.205 45.100 -0.089 0.000 0.774 60 G HN 0.419 nan 8.290 nan 0.000 0.562 61 C N -0.105 119.008 119.300 -0.311 0.000 2.429 61 C HA 0.038 4.498 4.460 0.000 0.000 0.277 61 C C 2.748 177.535 174.990 -0.338 0.000 1.262 61 C CA 1.145 59.825 59.018 -0.564 0.000 1.733 61 C CB -0.633 26.409 27.740 -1.164 0.000 2.010 61 C HN 0.595 nan 8.230 nan 0.000 0.483 62 E N 0.754 120.876 120.200 -0.131 0.000 2.106 62 E HA -0.087 4.264 4.350 0.000 0.000 0.192 62 E C 2.014 178.639 176.600 0.042 0.000 0.984 62 E CA 0.974 57.446 56.400 0.120 0.000 0.806 62 E CB -0.343 29.413 29.700 0.093 0.000 0.750 62 E HN 0.571 nan 8.360 nan 0.000 0.458 63 L N -0.201 121.007 121.223 -0.025 0.000 2.093 63 L HA -0.129 4.211 4.340 0.000 0.000 0.208 63 L C 2.239 179.095 176.870 -0.023 0.000 1.085 63 L CA 0.717 55.536 54.840 -0.034 0.000 0.755 63 L CB -0.247 41.780 42.059 -0.054 0.000 0.904 63 L HN 0.218 nan 8.230 nan 0.000 0.435 64 L N -0.359 120.849 121.223 -0.024 0.000 2.109 64 L HA -0.199 4.141 4.340 0.000 0.000 0.207 64 L C 2.643 179.549 176.870 0.060 0.000 1.086 64 L CA 1.121 55.964 54.840 0.005 0.000 0.760 64 L CB -0.454 41.594 42.059 -0.017 0.000 0.910 64 L HN 0.233 nan 8.230 nan 0.000 0.437 65 K N 0.370 120.822 120.400 0.087 0.000 2.025 65 K HA -0.179 4.141 4.320 0.000 0.000 0.207 65 K C 1.950 178.615 176.600 0.107 0.000 1.049 65 K CA 1.613 57.982 56.287 0.137 0.000 0.933 65 K CB 0.008 32.633 32.500 0.209 0.000 0.714 65 K HN 0.212 nan 8.250 nan 0.000 0.438 66 N N 1.239 119.982 118.700 0.071 0.000 2.043 66 N HA -0.186 4.554 4.740 0.000 0.000 0.193 66 N C 1.945 177.511 175.510 0.093 0.000 1.037 66 N CA 1.491 54.572 53.050 0.051 0.000 0.851 66 N CB -0.482 38.010 38.487 0.009 0.000 1.027 66 N HN 0.200 nan 8.380 nan 0.000 0.422 67 L N 0.597 121.864 121.223 0.073 0.000 2.046 67 L HA -0.117 4.223 4.340 0.000 0.000 0.208 67 L C 2.432 179.477 176.870 0.293 0.000 1.077 67 L CA 1.218 56.140 54.840 0.136 0.000 0.747 67 L CB -0.567 41.434 42.059 -0.096 0.000 0.896 67 L HN 0.131 nan 8.230 nan 0.000 0.432 68 A N 0.198 123.146 122.820 0.213 0.000 1.908 68 A HA -0.168 4.152 4.320 0.000 0.000 0.218 68 A C 2.135 179.910 177.584 0.319 0.000 1.181 68 A CA 1.561 53.748 52.037 0.250 0.000 0.627 68 A CB -0.738 18.386 19.000 0.206 0.000 0.818 68 A HN 0.418 nan 8.150 nan 0.000 0.445 69 L N -0.315 121.070 121.223 0.269 0.000 2.599 69 L HA 0.047 4.387 4.340 0.000 0.000 0.230 69 L C 1.535 178.609 176.870 0.340 0.000 1.141 69 L CA 0.437 55.461 54.840 0.307 0.000 0.877 69 L CB 0.058 42.218 42.059 0.167 0.000 1.009 69 L HN 0.228 nan 8.230 nan 0.000 0.447 70 S N -0.353 115.511 115.700 0.274 0.000 2.540 70 S HA 0.269 4.739 4.470 0.000 0.000 0.218 70 S C 1.405 176.050 174.600 0.076 0.000 0.977 70 S CA 0.598 58.904 58.200 0.176 0.000 0.918 70 S CB 0.767 64.102 63.200 0.225 0.000 0.806 70 S HN 0.603 nan 8.310 nan 0.000 0.496 71 G N 1.024 109.771 108.800 -0.088 0.000 2.159 71 G HA2 -0.217 3.743 3.960 0.000 0.000 0.227 71 G HA3 -0.217 3.743 3.960 0.000 0.000 0.227 71 G C -0.091 174.513 174.900 -0.493 0.000 0.986 71 G CA -0.622 44.069 45.100 -0.682 0.000 0.651 71 G HN 0.409 nan 8.290 nan 0.000 0.523 72 F N 0.105 119.988 119.950 -0.111 0.000 2.384 72 F HA 0.719 5.246 4.527 0.000 0.000 0.338 72 F C 1.672 177.444 175.800 -0.046 0.000 1.103 72 F CA -0.267 57.678 58.000 -0.091 0.000 1.157 72 F CB 1.293 40.280 39.000 -0.021 0.000 1.167 72 F HN -0.071 nan 8.300 nan 0.000 0.529 73 R N -0.321 120.242 120.500 0.105 0.000 2.470 73 R HA 0.117 4.457 4.340 0.000 0.000 0.210 73 R C -0.217 176.148 176.300 0.109 0.000 0.873 73 R CA -0.036 56.120 56.100 0.093 0.000 1.015 73 R CB 0.381 30.700 30.300 0.033 0.000 1.348 73 R HN 0.451 nan 8.270 nan 0.000 0.650 74 Q N 1.651 121.521 119.800 0.116 0.000 2.844 74 Q HA 0.307 4.647 4.340 0.000 0.000 0.235 74 Q C -0.598 175.557 176.000 0.258 0.000 1.336 74 Q CA 0.440 56.340 55.803 0.162 0.000 1.026 74 Q CB 0.292 29.107 28.738 0.128 0.000 1.513 74 Q HN 0.310 nan 8.270 nan 0.000 0.577 75 I N 1.136 121.842 120.570 0.227 0.000 2.530 75 I HA 0.354 4.524 4.170 0.000 0.000 0.297 75 I C 0.226 176.498 176.117 0.258 0.000 1.011 75 I CA -0.729 60.710 61.300 0.233 0.000 1.107 75 I CB 1.652 39.724 38.000 0.120 0.000 1.285 75 I HN 0.326 nan 8.210 nan 0.000 0.436 76 H N 4.287 123.445 119.070 0.147 0.000 2.622 76 H HA 0.673 5.229 4.556 0.000 0.000 0.363 76 H C -1.196 174.200 175.328 0.114 0.000 1.151 76 H CA -0.866 55.299 56.048 0.196 0.000 1.184 76 H CB 2.770 32.783 29.762 0.418 0.000 1.643 76 H HN 0.236 nan 8.280 nan 0.000 0.531 77 V N 3.415 123.480 119.914 0.253 0.000 2.638 77 V HA 0.419 4.539 4.120 0.000 0.000 0.306 77 V C -0.078 176.179 176.094 0.271 0.000 1.052 77 V CA -0.771 61.638 62.300 0.181 0.000 0.885 77 V CB 2.048 33.930 31.823 0.098 0.000 0.999 77 V HN 0.553 nan 8.190 nan 0.000 0.424 78 I N 3.399 124.106 120.570 0.229 0.000 2.433 78 I HA 0.660 4.830 4.170 0.000 0.000 0.292 78 I C -0.933 175.304 176.117 0.200 0.000 1.001 78 I CA -0.022 61.441 61.300 0.272 0.000 1.119 78 I CB 1.873 40.033 38.000 0.268 0.000 1.289 78 I HN 0.711 nan 8.210 nan 0.000 0.438 79 D N 5.529 126.058 120.400 0.216 0.000 2.812 79 D HA 0.163 4.803 4.640 0.000 0.000 0.210 79 D C -0.633 175.812 176.300 0.242 0.000 1.260 79 D CA -0.422 53.680 54.000 0.169 0.000 0.817 79 D CB 2.217 43.085 40.800 0.114 0.000 1.694 79 D HN 0.455 nan 8.370 nan 0.000 0.530 80 M N 2.113 121.831 119.600 0.196 0.000 2.383 80 M HA 0.208 4.688 4.480 0.000 0.000 0.247 80 M C -0.781 175.693 176.300 0.291 0.000 1.117 80 M CA 0.113 55.558 55.300 0.242 0.000 0.995 80 M CB 0.208 32.843 32.600 0.058 0.000 1.480 80 M HN 0.143 nan 8.290 nan 0.000 0.485 81 D N -0.158 120.348 120.400 0.177 0.000 2.326 81 D HA 0.388 5.028 4.640 0.000 0.000 0.251 81 D C -0.390 175.896 176.300 -0.024 0.000 1.023 81 D CA -0.081 53.970 54.000 0.086 0.000 0.966 81 D CB 1.353 42.167 40.800 0.023 0.000 1.156 81 D HN -0.030 nan 8.370 nan 0.000 0.494 82 T N 0.258 114.778 114.554 -0.056 0.000 2.918 82 T HA 0.476 4.826 4.350 0.000 0.000 0.286 82 T C 0.528 175.110 174.700 -0.197 0.000 1.026 82 T CA -0.575 61.432 62.100 -0.155 0.000 1.031 82 T CB 0.819 69.643 68.868 -0.073 0.000 1.046 82 T HN 0.128 nan 8.240 nan 0.000 0.479 83 I N 2.828 123.216 120.570 -0.305 0.000 2.618 83 I HA 0.141 4.311 4.170 0.000 0.000 0.284 83 I C 0.596 176.628 176.117 -0.142 0.000 1.146 83 I CA 0.210 61.319 61.300 -0.319 0.000 1.425 83 I CB 0.313 38.034 38.000 -0.465 0.000 1.383 83 I HN 0.503 nan 8.210 nan 0.000 0.562 84 D N 5.003 125.361 120.400 -0.070 0.000 2.342 84 D HA 0.116 4.756 4.640 0.000 0.000 0.243 84 D C 0.635 176.938 176.300 0.006 0.000 1.019 84 D CA -0.566 53.417 54.000 -0.028 0.000 0.864 84 D CB 2.693 43.482 40.800 -0.019 0.000 1.315 84 D HN 0.322 nan 8.370 nan 0.000 0.468 85 V N 3.527 123.445 119.914 0.006 0.000 2.453 85 V HA -0.245 3.875 4.120 0.000 0.000 0.252 85 V C 2.114 178.225 176.094 0.028 0.000 1.068 85 V CA 3.059 65.371 62.300 0.020 0.000 1.070 85 V CB -0.437 31.394 31.823 0.014 0.000 0.664 85 V HN 0.690 nan 8.190 nan 0.000 0.461 86 S N -0.329 115.384 115.700 0.021 0.000 2.555 86 S HA -0.086 4.385 4.470 0.000 0.000 0.230 86 S C 1.538 176.155 174.600 0.029 0.000 0.978 86 S CA 1.008 59.220 58.200 0.021 0.000 0.934 86 S CB -0.617 62.589 63.200 0.011 0.000 0.766 86 S HN 0.719 nan 8.310 nan 0.000 0.533 87 N N 2.137 120.868 118.700 0.051 0.000 2.300 87 N HA 0.158 4.898 4.740 0.000 0.000 0.179 87 N C 1.512 177.062 175.510 0.066 0.000 1.016 87 N CA 0.739 53.835 53.050 0.077 0.000 0.876 87 N CB -0.574 38.017 38.487 0.175 0.000 0.979 87 N HN 0.423 nan 8.380 nan 0.000 0.432 88 L N 1.848 123.115 121.223 0.073 0.000 2.450 88 L HA -0.148 4.193 4.340 0.000 0.000 0.225 88 L C 1.631 178.524 176.870 0.038 0.000 1.145 88 L CA 0.751 55.628 54.840 0.061 0.000 0.801 88 L CB -0.599 41.500 42.059 0.067 0.000 0.924 88 L HN 0.289 nan 8.230 nan 0.000 0.447 89 N N 1.121 119.837 118.700 0.028 0.000 2.463 89 N HA -0.145 4.595 4.740 0.000 0.000 0.181 89 N C 1.482 177.006 175.510 0.024 0.000 1.078 89 N CA 0.736 53.801 53.050 0.024 0.000 0.902 89 N CB 0.092 38.590 38.487 0.018 0.000 0.970 89 N HN 0.551 nan 8.380 nan 0.000 0.451 90 R N -1.389 119.119 120.500 0.013 0.000 2.676 90 R HA 0.185 4.525 4.340 0.000 0.000 0.241 90 R C -0.040 176.242 176.300 -0.030 0.000 0.964 90 R CA -0.259 55.853 56.100 0.019 0.000 1.054 90 R CB -0.222 30.078 30.300 -0.001 0.000 1.603 90 R HN -0.018 nan 8.270 nan 0.000 0.577 91 Q N 2.303 122.015 119.800 -0.147 0.000 3.150 91 Q HA 0.139 4.479 4.340 0.000 0.000 0.297 91 Q C -0.207 175.390 176.000 -0.673 0.000 1.382 91 Q CA -0.426 55.091 55.803 -0.476 0.000 1.059 91 Q CB 0.087 28.589 28.738 -0.393 0.000 1.559 91 Q HN 0.408 nan 8.270 nan 0.000 0.548 92 F N -1.729 117.979 119.950 -0.404 0.000 2.549 92 F HA -0.127 4.400 4.527 0.000 0.000 0.295 92 F C 0.564 175.992 175.800 -0.621 0.000 1.124 92 F CA 0.756 58.524 58.000 -0.386 0.000 1.482 92 F CB -0.283 38.544 39.000 -0.288 0.000 1.108 92 F HN 0.278 nan 8.300 nan 0.000 0.602 93 L N -0.795 119.710 121.223 -1.197 0.000 2.567 93 L HA 0.235 4.575 4.340 0.000 0.000 0.225 93 L C 0.016 176.666 176.870 -0.367 0.000 1.119 93 L CA -0.044 54.106 54.840 -1.149 0.000 0.871 93 L CB -0.251 41.169 42.059 -1.064 0.000 1.036 93 L HN 0.086 nan 8.230 nan 0.000 0.459 94 F N -0.368 119.466 119.950 -0.194 0.000 2.492 94 F HA 0.564 5.091 4.527 0.000 0.000 0.327 94 F C 0.511 176.322 175.800 0.018 0.000 1.079 94 F CA -1.139 56.832 58.000 -0.048 0.000 0.967 94 F CB 1.410 40.363 39.000 -0.077 0.000 1.169 94 F HN -0.224 nan 8.300 nan 0.000 0.472 95 R N 1.222 121.872 120.500 0.249 0.000 2.912 95 R HA 0.341 4.681 4.340 0.000 0.000 0.262 95 R C -2.102 174.264 176.300 0.110 0.000 1.057 95 R CA -1.840 54.357 56.100 0.163 0.000 0.981 95 R CB 1.420 31.817 30.300 0.162 0.000 1.201 95 R HN 0.227 nan 8.270 nan 0.000 0.484 96 P HA -0.254 nan 4.420 nan 0.000 0.216 96 P C 0.602 177.922 177.300 0.034 0.000 1.150 96 P CA 1.652 64.782 63.100 0.050 0.000 0.843 96 P CB 0.138 31.863 31.700 0.041 0.000 0.787 97 K N -0.622 119.802 120.400 0.039 0.000 2.152 97 K HA -0.150 4.171 4.320 0.000 0.000 0.206 97 K C 1.270 177.875 176.600 0.008 0.000 1.048 97 K CA 1.714 58.014 56.287 0.022 0.000 0.933 97 K CB -0.887 31.629 32.500 0.027 0.000 0.721 97 K HN 0.084 nan 8.250 nan 0.000 0.447 98 D N 1.125 121.534 120.400 0.016 0.000 2.371 98 D HA -0.008 4.633 4.640 0.000 0.000 0.221 98 D C 0.393 176.644 176.300 -0.083 0.000 0.986 98 D CA 0.340 54.322 54.000 -0.030 0.000 0.899 98 D CB 0.003 40.796 40.800 -0.011 0.000 0.902 98 D HN 0.185 nan 8.370 nan 0.000 0.530 99 I N 1.001 121.541 120.570 -0.051 0.000 2.828 99 I HA -0.039 4.131 4.170 0.000 0.000 0.292 99 I C 1.855 177.926 176.117 -0.078 0.000 1.206 99 I CA 1.224 62.484 61.300 -0.065 0.000 1.420 99 I CB -0.154 37.829 38.000 -0.029 0.000 1.368 99 I HN 0.222 nan 8.210 nan 0.000 0.556 100 G N 6.736 115.472 108.800 -0.107 0.000 2.307 100 G HA2 -0.207 3.754 3.960 0.000 0.000 0.210 100 G HA3 -0.207 3.754 3.960 0.000 0.000 0.210 100 G C 0.554 175.377 174.900 -0.127 0.000 1.005 100 G CA -0.499 44.546 45.100 -0.092 0.000 0.634 100 G HN 0.532 nan 8.290 nan 0.000 0.496 101 R N 1.308 121.704 120.500 -0.173 0.000 2.615 101 R HA 0.467 4.807 4.340 0.000 0.000 0.270 101 R C -2.607 173.481 176.300 -0.354 0.000 1.081 101 R CA -1.591 54.374 56.100 -0.225 0.000 1.154 101 R CB 0.288 30.470 30.300 -0.197 0.000 1.063 101 R HN 0.112 nan 8.270 nan 0.000 0.519 102 P HA 0.010 nan 4.420 nan 0.000 0.267 102 P C -0.346 176.642 177.300 -0.519 0.000 1.205 102 P CA 0.130 62.807 63.100 -0.705 0.000 0.765 102 P CB 0.640 31.633 31.700 -1.178 0.000 0.828 103 K N 2.966 123.079 120.400 -0.479 0.000 2.026 103 K HA -0.154 4.166 4.320 0.000 0.000 0.208 103 K C 2.005 178.513 176.600 -0.153 0.000 1.048 103 K CA 1.696 57.687 56.287 -0.494 0.000 0.929 103 K CB -0.764 31.571 32.500 -0.275 0.000 0.713 103 K HN 0.402 nan 8.250 nan 0.000 0.439 104 A N 2.158 124.912 122.820 -0.109 0.000 1.884 104 A HA -0.316 4.004 4.320 0.000 0.000 0.219 104 A C 2.225 179.784 177.584 -0.042 0.000 1.197 104 A CA 2.100 54.126 52.037 -0.019 0.000 0.637 104 A CB -0.703 18.310 19.000 0.020 0.000 0.827 104 A HN 0.473 nan 8.150 nan 0.000 0.450 105 E N -0.423 119.699 120.200 -0.131 0.000 2.058 105 E HA -0.151 4.199 4.350 0.000 0.000 0.194 105 E C 1.940 178.515 176.600 -0.041 0.000 0.997 105 E CA 1.707 58.045 56.400 -0.103 0.000 0.801 105 E CB -0.139 29.460 29.700 -0.169 0.000 0.746 105 E HN 0.370 nan 8.360 nan 0.000 0.450 106 V N 1.168 121.049 119.914 -0.056 0.000 2.427 106 V HA -0.204 3.916 4.120 0.000 0.000 0.248 106 V C 2.464 178.687 176.094 0.215 0.000 1.051 106 V CA 1.547 63.881 62.300 0.057 0.000 1.048 106 V CB -0.724 31.081 31.823 -0.030 0.000 0.666 106 V HN 0.387 nan 8.190 nan 0.000 0.456 107 A N 0.400 123.368 122.820 0.248 0.000 1.877 107 A HA -0.136 4.184 4.320 0.000 0.000 0.216 107 A C 2.458 180.115 177.584 0.123 0.000 1.186 107 A CA 2.206 54.357 52.037 0.191 0.000 0.620 107 A CB -0.881 18.204 19.000 0.142 0.000 0.822 107 A HN 0.556 nan 8.150 nan 0.000 0.443 108 A N -0.477 122.392 122.820 0.082 0.000 1.902 108 A HA -0.198 4.122 4.320 0.000 0.000 0.217 108 A C 2.043 179.680 177.584 0.088 0.000 1.181 108 A CA 1.881 53.954 52.037 0.059 0.000 0.623 108 A CB -0.617 18.386 19.000 0.004 0.000 0.818 108 A HN 0.692 nan 8.150 nan 0.000 0.443 109 E N -1.084 119.170 120.200 0.091 0.000 2.033 109 E HA -0.245 4.106 4.350 0.000 0.000 0.199 109 E C 1.878 178.562 176.600 0.140 0.000 1.011 109 E CA 1.624 58.077 56.400 0.087 0.000 0.815 109 E CB -0.326 29.418 29.700 0.073 0.000 0.755 109 E HN 0.633 nan 8.360 nan 0.000 0.451 110 F N 0.445 120.421 119.950 0.044 0.000 2.102 110 F HA -0.228 4.299 4.527 0.000 0.000 0.298 110 F C 2.229 178.060 175.800 0.052 0.000 1.105 110 F CA 0.969 58.999 58.000 0.050 0.000 1.239 110 F CB -0.100 38.934 39.000 0.056 0.000 0.991 110 F HN 0.147 nan 8.300 nan 0.000 0.474 111 L N 1.251 122.716 121.223 0.404 0.000 1.994 111 L HA -0.274 4.066 4.340 0.000 0.000 0.208 111 L C 2.023 179.009 176.870 0.193 0.000 1.071 111 L CA 1.869 56.881 54.840 0.287 0.000 0.745 111 L CB -1.237 40.922 42.059 0.167 0.000 0.892 111 L HN 0.101 nan 8.230 nan 0.000 0.431 112 N N -0.283 118.497 118.700 0.134 0.000 2.272 112 N HA -0.214 4.526 4.740 0.000 0.000 0.185 112 N C 1.525 177.079 175.510 0.074 0.000 1.014 112 N CA 1.558 54.664 53.050 0.093 0.000 0.870 112 N CB -0.307 38.218 38.487 0.062 0.000 0.975 112 N HN 0.582 nan 8.380 nan 0.000 0.433 113 D N 0.244 120.672 120.400 0.046 0.000 2.162 113 D HA -0.066 4.574 4.640 0.000 0.000 0.203 113 D C 2.020 178.318 176.300 -0.005 0.000 0.967 113 D CA 0.624 54.616 54.000 -0.013 0.000 0.840 113 D CB 0.182 40.920 40.800 -0.104 0.000 0.972 113 D HN -0.044 nan 8.370 nan 0.000 0.482 114 R N -0.169 120.351 120.500 0.034 0.000 2.119 114 R HA 0.149 4.489 4.340 0.000 0.000 0.222 114 R C -0.216 176.163 176.300 0.131 0.000 1.088 114 R CA 0.718 56.866 56.100 0.080 0.000 0.984 114 R CB 0.041 30.467 30.300 0.210 0.000 0.884 114 R HN 0.059 nan 8.270 nan 0.000 0.447 115 V N 2.773 122.782 119.914 0.158 0.000 2.277 115 V HA 0.255 4.375 4.120 0.000 0.000 0.269 115 V C -1.785 174.409 176.094 0.168 0.000 1.036 115 V CA -1.648 60.760 62.300 0.180 0.000 0.821 115 V CB 1.378 33.321 31.823 0.199 0.000 1.052 115 V HN 0.159 nan 8.190 nan 0.000 0.462 116 P HA -0.254 nan 4.420 nan 0.000 0.232 116 P C 0.812 178.196 177.300 0.140 0.000 1.135 116 P CA 1.893 65.099 63.100 0.177 0.000 0.969 116 P CB 0.109 31.985 31.700 0.294 0.000 0.777 117 N N -3.203 115.584 118.700 0.145 0.000 2.291 117 N HA 0.075 4.815 4.740 0.000 0.000 0.244 117 N C -0.084 175.497 175.510 0.119 0.000 1.216 117 N CA -0.233 52.889 53.050 0.120 0.000 0.879 117 N CB 0.033 38.589 38.487 0.115 0.000 1.167 117 N HN 0.169 nan 8.380 nan 0.000 0.515 118 C N 1.138 120.519 119.300 0.134 0.000 2.700 118 C HA 0.178 4.638 4.460 0.000 0.000 0.397 118 C C 1.076 176.120 174.990 0.090 0.000 1.301 118 C CA 0.307 59.402 59.018 0.128 0.000 2.219 118 C CB -0.144 27.684 27.740 0.147 0.000 2.699 118 C HN 0.425 nan 8.230 nan 0.000 0.669 119 N N 2.082 120.829 118.700 0.078 0.000 2.672 119 N HA 0.239 4.979 4.740 0.000 0.000 0.295 119 N C -1.098 174.422 175.510 0.016 0.000 1.924 119 N CA -0.254 52.822 53.050 0.045 0.000 0.851 119 N CB 0.550 39.063 38.487 0.043 0.000 1.281 119 N HN 0.419 nan 8.380 nan 0.000 0.494 120 V N 1.297 121.221 119.914 0.018 0.000 2.446 120 V HA 0.185 4.305 4.120 0.000 0.000 0.276 120 V C 0.320 176.353 176.094 -0.100 0.000 1.030 120 V CA -0.326 61.965 62.300 -0.014 0.000 1.033 120 V CB 0.897 32.736 31.823 0.026 0.000 0.993 120 V HN 0.094 nan 8.190 nan 0.000 0.477 121 V N 9.199 128.964 119.914 -0.249 0.000 2.370 121 V HA 0.385 4.506 4.120 0.000 0.000 0.279 121 V C -1.833 174.024 176.094 -0.395 0.000 1.029 121 V CA -1.460 60.607 62.300 -0.388 0.000 0.870 121 V CB 1.841 33.239 31.823 -0.709 0.000 0.984 121 V HN 0.747 nan 8.190 nan 0.000 0.451 122 P HA 0.419 nan 4.420 nan 0.000 0.282 122 P C -1.201 175.874 177.300 -0.375 0.000 1.259 122 P CA -0.447 62.523 63.100 -0.217 0.000 0.826 122 P CB 1.274 32.918 31.700 -0.093 0.000 1.064 123 H N 1.381 120.553 119.070 0.170 0.000 3.239 123 H HA 0.156 4.712 4.556 0.000 0.000 0.320 123 H C -0.949 174.547 175.328 0.281 0.000 1.074 123 H CA -0.410 55.783 56.048 0.241 0.000 1.553 123 H CB 0.445 30.388 29.762 0.302 0.000 1.752 123 H HN 0.311 nan 8.280 nan 0.000 0.513 124 F N 4.829 124.870 119.950 0.150 0.000 2.679 124 F HA 0.220 4.748 4.527 0.000 0.000 0.351 124 F C -0.425 175.409 175.800 0.056 0.000 1.279 124 F CA -0.234 57.809 58.000 0.072 0.000 1.227 124 F CB -0.756 38.258 39.000 0.023 0.000 1.623 124 F HN 0.437 nan 8.300 nan 0.000 0.666 125 N N 3.229 122.087 118.700 0.263 0.000 2.934 125 N HA 0.285 5.025 4.740 0.000 0.000 0.253 125 N C -1.325 174.227 175.510 0.069 0.000 1.466 125 N CA -0.821 52.250 53.050 0.035 0.000 0.858 125 N CB 2.570 41.055 38.487 -0.003 0.000 1.459 125 N HN 0.250 nan 8.380 nan 0.000 0.532 126 K N -0.312 120.053 120.400 -0.060 0.000 2.185 126 K HA 0.475 4.795 4.320 0.000 0.000 0.240 126 K C 1.267 177.865 176.600 -0.003 0.000 0.983 126 K CA -0.685 55.575 56.287 -0.045 0.000 0.873 126 K CB 1.507 33.919 32.500 -0.146 0.000 1.118 126 K HN 0.592 nan 8.250 nan 0.000 0.441 127 I N -2.053 118.530 120.570 0.021 0.000 2.614 127 I HA -0.218 3.953 4.170 0.000 0.000 0.258 127 I C 1.274 177.289 176.117 -0.170 0.000 1.189 127 I CA 0.798 62.201 61.300 0.172 0.000 1.462 127 I CB -0.366 37.759 38.000 0.209 0.000 1.092 127 I HN 0.520 nan 8.210 nan 0.000 0.442 128 Q N 1.429 120.840 119.800 -0.649 0.000 2.297 128 Q HA -0.122 4.218 4.340 0.000 0.000 0.204 128 Q C 1.581 177.368 176.000 -0.356 0.000 0.962 128 Q CA 1.266 56.515 55.803 -0.923 0.000 0.879 128 Q CB -0.330 27.924 28.738 -0.808 0.000 0.947 128 Q HN 0.545 nan 8.270 nan 0.000 0.462 129 D N -0.479 119.701 120.400 -0.368 0.000 2.264 129 D HA -0.076 4.564 4.640 0.000 0.000 0.208 129 D C -0.219 175.775 176.300 -0.510 0.000 0.966 129 D CA 0.745 54.443 54.000 -0.502 0.000 0.864 129 D CB 0.087 40.415 40.800 -0.786 0.000 0.933 129 D HN 0.175 nan 8.370 nan 0.000 0.499 130 F N 0.736 120.670 119.950 -0.026 0.000 2.440 130 F HA 0.279 4.806 4.527 0.000 0.000 0.328 130 F C 0.987 176.985 175.800 0.330 0.000 1.070 130 F CA -1.318 56.685 58.000 0.005 0.000 1.011 130 F CB 0.808 39.606 39.000 -0.336 0.000 1.226 130 F HN -0.234 nan 8.300 nan 0.000 0.491 131 N N -1.244 117.735 118.700 0.465 0.000 2.815 131 N HA 0.315 5.055 4.740 0.000 0.000 0.315 131 N C -0.228 175.545 175.510 0.438 0.000 1.320 131 N CA -0.750 52.552 53.050 0.420 0.000 0.846 131 N CB 0.272 38.907 38.487 0.248 0.000 1.344 131 N HN 0.463 nan 8.380 nan 0.000 0.593 132 D N -0.514 120.070 120.400 0.306 0.000 2.204 132 D HA -0.254 4.386 4.640 0.000 0.000 0.189 132 D C 1.284 177.705 176.300 0.202 0.000 1.006 132 D CA 2.981 57.124 54.000 0.237 0.000 0.855 132 D CB -1.012 39.863 40.800 0.125 0.000 0.946 132 D HN 0.694 nan 8.370 nan 0.000 0.448 133 T N -0.108 114.537 114.554 0.153 0.000 2.680 133 T HA -0.274 4.076 4.350 0.000 0.000 0.268 133 T C 1.648 176.392 174.700 0.072 0.000 1.033 133 T CA 1.426 63.584 62.100 0.095 0.000 1.152 133 T CB -0.601 68.328 68.868 0.101 0.000 0.859 133 T HN 0.186 nan 8.240 nan 0.000 0.452 134 F N 0.736 120.661 119.950 -0.041 0.000 2.128 134 F HA 0.036 4.563 4.527 0.000 0.000 0.295 134 F C 1.992 177.668 175.800 -0.205 0.000 1.100 134 F CA 0.634 58.510 58.000 -0.208 0.000 1.260 134 F CB -0.472 38.328 39.000 -0.332 0.000 1.009 134 F HN 0.159 nan 8.300 nan 0.000 0.476 135 Y N -0.027 120.310 120.300 0.062 0.000 2.373 135 Y HA -0.034 4.516 4.550 0.000 0.000 0.293 135 Y C 2.491 178.391 175.900 -0.001 0.000 1.129 135 Y CA 0.970 59.106 58.100 0.061 0.000 1.226 135 Y CB -0.462 38.077 38.460 0.131 0.000 1.000 135 Y HN -0.101 nan 8.280 nan 0.000 0.549 136 R N 0.401 120.935 120.500 0.056 0.000 2.193 136 R HA -0.205 4.135 4.340 0.000 0.000 0.229 136 R C 2.157 178.345 176.300 -0.186 0.000 1.110 136 R CA 1.130 57.207 56.100 -0.038 0.000 0.988 136 R CB -0.249 30.026 30.300 -0.042 0.000 0.871 136 R HN 0.492 nan 8.270 nan 0.000 0.458 137 Q N 0.176 119.755 119.800 -0.370 0.000 2.291 137 Q HA -0.092 4.248 4.340 0.000 0.000 0.206 137 Q C -0.483 175.087 176.000 -0.716 0.000 0.976 137 Q CA 0.904 56.334 55.803 -0.621 0.000 0.875 137 Q CB 0.174 28.347 28.738 -0.942 0.000 0.927 137 Q HN 0.099 nan 8.270 nan 0.000 0.450 138 F N -0.860 118.911 119.950 -0.298 0.000 2.397 138 F HA 0.227 4.754 4.527 0.000 0.000 0.331 138 F C 0.945 176.639 175.800 -0.176 0.000 1.090 138 F CA -0.705 57.166 58.000 -0.216 0.000 1.065 138 F CB 0.969 39.862 39.000 -0.178 0.000 1.184 138 F HN -0.024 nan 8.300 nan 0.000 0.499 139 H N 1.269 120.441 119.070 0.170 0.000 2.384 139 H HA 0.253 4.809 4.556 0.000 0.000 0.300 139 H C -0.342 175.058 175.328 0.120 0.000 1.057 139 H CA 1.226 57.358 56.048 0.140 0.000 1.370 139 H CB 0.163 30.042 29.762 0.195 0.000 1.417 139 H HN 0.276 nan 8.280 nan 0.000 0.527 140 I N 0.039 120.757 120.570 0.246 0.000 2.769 140 I HA 0.273 4.443 4.170 0.000 0.000 0.298 140 I C -1.103 175.026 176.117 0.020 0.000 1.128 140 I CA -0.417 60.950 61.300 0.111 0.000 1.031 140 I CB 2.945 40.993 38.000 0.080 0.000 1.235 140 I HN -0.045 nan 8.210 nan 0.000 0.423 141 I N 5.101 125.653 120.570 -0.029 0.000 2.466 141 I HA 0.532 4.703 4.170 0.000 0.000 0.289 141 I C -1.098 174.973 176.117 -0.077 0.000 1.026 141 I CA -0.985 60.258 61.300 -0.096 0.000 1.078 141 I CB 1.969 39.917 38.000 -0.086 0.000 1.249 141 I HN 0.137 nan 8.210 nan 0.000 0.429 142 V N 4.377 124.236 119.914 -0.093 0.000 2.409 142 V HA 0.357 4.478 4.120 0.000 0.000 0.291 142 V C -0.329 175.736 176.094 -0.048 0.000 1.020 142 V CA -0.680 61.578 62.300 -0.069 0.000 0.848 142 V CB 1.637 33.409 31.823 -0.086 0.000 0.990 142 V HN 0.876 nan 8.190 nan 0.000 0.430 143 C N 4.047 123.331 119.300 -0.027 0.000 2.322 143 C HA 0.824 5.284 4.460 0.000 0.000 0.324 143 C C 1.171 176.162 174.990 0.002 0.000 1.284 143 C CA 0.405 59.420 59.018 -0.005 0.000 1.606 143 C CB 0.226 27.969 27.740 0.006 0.000 2.251 143 C HN 1.156 nan 8.230 nan 0.000 0.502 144 G N 5.950 114.753 108.800 0.005 0.000 4.100 144 G HA2 0.297 4.257 3.960 0.000 0.000 0.294 144 G HA3 0.297 4.257 3.960 0.000 0.000 0.294 144 G C 0.189 175.098 174.900 0.015 0.000 1.040 144 G CA -0.163 44.939 45.100 0.003 0.000 0.829 144 G HN 0.700 nan 8.290 nan 0.000 0.505 145 L N 0.316 121.557 121.223 0.029 0.000 2.425 145 L HA 0.244 4.584 4.340 0.000 0.000 0.225 145 L C 1.437 178.330 176.870 0.038 0.000 1.222 145 L CA -0.103 54.758 54.840 0.034 0.000 0.832 145 L CB 0.555 42.640 42.059 0.042 0.000 1.238 145 L HN 0.275 nan 8.230 nan 0.000 0.533 146 D N -1.951 118.471 120.400 0.036 0.000 2.498 146 D HA -0.010 4.630 4.640 0.000 0.000 0.223 146 D C 0.413 176.739 176.300 0.044 0.000 1.125 146 D CA 0.070 54.093 54.000 0.037 0.000 0.835 146 D CB 0.288 41.101 40.800 0.021 0.000 1.086 146 D HN 0.402 nan 8.370 nan 0.000 0.510 147 S N 0.604 116.328 115.700 0.040 0.000 2.508 147 S HA 0.334 4.805 4.470 0.000 0.000 0.284 147 S C 1.396 176.028 174.600 0.053 0.000 1.192 147 S CA -0.789 57.434 58.200 0.039 0.000 1.070 147 S CB 1.302 64.514 63.200 0.020 0.000 1.004 147 S HN -0.053 nan 8.310 nan 0.000 0.493 148 I N 2.535 123.143 120.570 0.063 0.000 2.286 148 I HA -0.143 4.027 4.170 0.000 0.000 0.248 148 I C 2.175 178.308 176.117 0.027 0.000 1.115 148 I CA 1.159 62.496 61.300 0.062 0.000 1.392 148 I CB -1.424 36.628 38.000 0.086 0.000 1.065 148 I HN 0.722 nan 8.210 nan 0.000 0.418 149 I N 1.230 121.823 120.570 0.037 0.000 2.163 149 I HA -0.305 3.865 4.170 0.000 0.000 0.243 149 I C 2.795 178.968 176.117 0.093 0.000 1.085 149 I CA 1.567 62.900 61.300 0.054 0.000 1.347 149 I CB -0.483 37.540 38.000 0.039 0.000 1.044 149 I HN 0.148 nan 8.210 nan 0.000 0.408 150 A N 0.769 123.631 122.820 0.069 0.000 1.877 150 A HA -0.211 4.109 4.320 0.000 0.000 0.216 150 A C 2.402 180.055 177.584 0.115 0.000 1.186 150 A CA 1.560 53.656 52.037 0.098 0.000 0.620 150 A CB -0.600 18.431 19.000 0.052 0.000 0.822 150 A HN 0.303 nan 8.150 nan 0.000 0.443 151 R N -0.712 119.813 120.500 0.043 0.000 2.083 151 R HA -0.139 4.201 4.340 0.000 0.000 0.237 151 R C 2.508 178.774 176.300 -0.057 0.000 1.137 151 R CA 1.850 57.936 56.100 -0.023 0.000 0.951 151 R CB -0.317 29.928 30.300 -0.092 0.000 0.851 151 R HN 0.506 nan 8.270 nan 0.000 0.434 152 R N -0.910 119.559 120.500 -0.052 0.000 2.075 152 R HA -0.172 4.168 4.340 0.000 0.000 0.232 152 R C 1.986 178.278 176.300 -0.014 0.000 1.126 152 R CA 1.514 57.576 56.100 -0.063 0.000 0.963 152 R CB -0.342 29.932 30.300 -0.044 0.000 0.858 152 R HN 0.330 nan 8.270 nan 0.000 0.435 153 W N 1.205 122.458 121.300 -0.077 0.000 2.354 153 W HA -0.167 4.493 4.660 0.000 0.000 0.315 153 W C 1.964 178.423 176.519 -0.100 0.000 1.206 153 W CA 1.071 58.377 57.345 -0.065 0.000 1.290 153 W CB -0.196 29.241 29.460 -0.038 0.000 1.152 153 W HN -0.043 nan 8.180 nan 0.000 0.489 154 I N 1.515 122.178 120.570 0.156 0.000 2.493 154 I HA -0.273 3.897 4.170 0.000 0.000 0.254 154 I C 1.868 177.869 176.117 -0.193 0.000 1.160 154 I CA 2.013 63.283 61.300 -0.050 0.000 1.445 154 I CB -1.331 36.675 38.000 0.011 0.000 1.086 154 I HN 0.179 nan 8.210 nan 0.000 0.433 155 N N 0.851 119.463 118.700 -0.147 0.000 2.142 155 N HA -0.123 4.617 4.740 0.000 0.000 0.186 155 N C 1.984 177.377 175.510 -0.194 0.000 1.023 155 N CA 1.868 54.829 53.050 -0.149 0.000 0.852 155 N CB -0.498 37.910 38.487 -0.132 0.000 0.998 155 N HN 0.300 nan 8.380 nan 0.000 0.424 156 G N 0.102 108.745 108.800 -0.262 0.000 2.408 156 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 156 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 156 G C 1.476 176.161 174.900 -0.357 0.000 1.150 156 G CA 1.052 45.974 45.100 -0.297 0.000 0.776 156 G HN 0.373 nan 8.290 nan 0.000 0.542 157 M N 0.593 119.878 119.600 -0.524 0.000 2.080 157 M HA 0.086 4.566 4.480 0.000 0.000 0.260 157 M C 2.307 178.440 176.300 -0.278 0.000 1.068 157 M CA 1.393 56.392 55.300 -0.501 0.000 1.109 157 M CB -0.519 31.648 32.600 -0.721 0.000 1.342 157 M HN 0.154 nan 8.290 nan 0.000 0.405 158 L N -0.637 120.440 121.223 -0.243 0.000 2.141 158 L HA -0.175 4.165 4.340 0.000 0.000 0.209 158 L C 2.328 179.139 176.870 -0.099 0.000 1.094 158 L CA 0.519 55.274 54.840 -0.141 0.000 0.763 158 L CB -0.967 41.021 42.059 -0.118 0.000 0.908 158 L HN 0.323 nan 8.230 nan 0.000 0.437 159 I N 0.248 120.755 120.570 -0.105 0.000 2.226 159 I HA -0.267 3.903 4.170 0.000 0.000 0.245 159 I C 2.905 179.000 176.117 -0.038 0.000 1.100 159 I CA 1.890 63.157 61.300 -0.055 0.000 1.374 159 I CB -1.267 36.701 38.000 -0.054 0.000 1.057 159 I HN 0.351 nan 8.210 nan 0.000 0.413 160 S N 1.252 116.907 115.700 -0.075 0.000 2.419 160 S HA -0.126 4.344 4.470 0.000 0.000 0.235 160 S C 1.993 176.577 174.600 -0.027 0.000 1.019 160 S CA 0.886 59.057 58.200 -0.049 0.000 0.982 160 S CB -0.661 62.488 63.200 -0.085 0.000 0.789 160 S HN 0.495 nan 8.310 nan 0.000 0.490 161 L N 0.735 121.934 121.223 -0.039 0.000 2.376 161 L HA 0.198 4.538 4.340 0.000 0.000 0.219 161 L C 0.782 177.620 176.870 -0.052 0.000 1.133 161 L CA 0.104 54.926 54.840 -0.030 0.000 0.816 161 L CB -0.617 41.426 42.059 -0.027 0.000 0.933 161 L HN 0.310 nan 8.230 nan 0.000 0.449 162 L N 1.399 122.583 121.223 -0.065 0.000 2.490 162 L HA 0.011 4.351 4.340 0.000 0.000 0.274 162 L C -0.110 176.673 176.870 -0.146 0.000 1.201 162 L CA 0.294 55.041 54.840 -0.156 0.000 0.869 162 L CB 0.026 41.988 42.059 -0.161 0.000 1.123 162 L HN 0.209 nan 8.230 nan 0.000 0.484 163 N N 3.106 121.656 118.700 -0.251 0.000 2.531 163 N HA 0.296 5.036 4.740 0.000 0.000 0.268 163 N C -1.338 174.051 175.510 -0.201 0.000 1.023 163 N CA -0.446 52.525 53.050 -0.133 0.000 0.896 163 N CB 1.334 39.774 38.487 -0.078 0.000 1.233 163 N HN 0.306 nan 8.380 nan 0.000 0.512 164 Y N 0.459 120.753 120.300 -0.009 0.000 2.335 164 Y HA 0.249 4.799 4.550 0.000 0.000 0.339 164 Y C 0.681 176.577 175.900 -0.006 0.000 0.987 164 Y CA -0.611 57.484 58.100 -0.008 0.000 1.140 164 Y CB 1.257 39.713 38.460 -0.008 0.000 1.173 164 Y HN 0.253 nan 8.280 nan 0.000 0.486 165 E N 3.491 123.766 120.200 0.125 0.000 2.042 165 E HA 0.094 4.444 4.350 0.000 0.000 0.260 165 E C -0.538 176.104 176.600 0.071 0.000 0.975 165 E CA -0.155 56.289 56.400 0.073 0.000 0.799 165 E CB 0.310 30.032 29.700 0.036 0.000 1.131 165 E HN 0.691 nan 8.360 nan 0.000 0.423 166 D N 2.252 122.690 120.400 0.064 0.000 3.099 166 D HA -0.150 4.490 4.640 0.000 0.000 0.213 166 D C 0.596 176.922 176.300 0.043 0.000 1.121 166 D CA 1.181 55.206 54.000 0.041 0.000 0.951 166 D CB -0.739 40.079 40.800 0.030 0.000 1.102 166 D HN 0.922 nan 8.370 nan 0.000 0.423 167 G N -0.802 108.043 108.800 0.074 0.000 2.142 167 G HA2 -0.226 3.734 3.960 0.000 0.000 0.225 167 G HA3 -0.226 3.734 3.960 0.000 0.000 0.225 167 G C 0.079 175.061 174.900 0.137 0.000 1.015 167 G CA 0.201 45.333 45.100 0.054 0.000 0.716 167 G HN 0.638 nan 8.290 nan 0.000 0.508 168 V N 1.472 121.494 119.914 0.181 0.000 2.289 168 V HA 0.489 4.609 4.120 0.000 0.000 0.272 168 V C 0.599 176.769 176.094 0.127 0.000 1.026 168 V CA -0.872 61.511 62.300 0.139 0.000 0.807 168 V CB 1.278 33.142 31.823 0.068 0.000 1.044 168 V HN 0.567 nan 8.190 nan 0.000 0.443 169 L N 3.807 125.114 121.223 0.142 0.000 2.615 169 L HA 0.114 4.454 4.340 0.000 0.000 0.284 169 L C 0.400 177.177 176.870 -0.155 0.000 1.237 169 L CA 0.955 55.678 54.840 -0.194 0.000 0.905 169 L CB 0.216 42.161 42.059 -0.189 0.000 1.149 169 L HN 0.653 nan 8.230 nan 0.000 0.499 170 D N 7.252 127.523 120.400 -0.215 0.000 2.411 170 D HA 0.230 4.870 4.640 0.000 0.000 0.225 170 D C -1.784 174.442 176.300 -0.124 0.000 1.156 170 D CA -2.111 51.813 54.000 -0.127 0.000 0.874 170 D CB 1.421 42.157 40.800 -0.108 0.000 1.034 170 D HN 0.397 nan 8.370 nan 0.000 0.502 171 P HA -0.216 nan 4.420 nan 0.000 0.218 171 P C 1.398 178.664 177.300 -0.057 0.000 1.152 171 P CA 1.428 64.491 63.100 -0.062 0.000 0.857 171 P CB 0.137 31.814 31.700 -0.037 0.000 0.787 172 S N -1.032 114.634 115.700 -0.056 0.000 2.442 172 S HA -0.120 4.350 4.470 0.000 0.000 0.236 172 S C 1.863 176.427 174.600 -0.059 0.000 1.007 172 S CA 1.358 59.528 58.200 -0.049 0.000 0.965 172 S CB -1.429 61.743 63.200 -0.047 0.000 0.773 172 S HN 0.278 nan 8.310 nan 0.000 0.504 173 S N 0.522 116.174 115.700 -0.080 0.000 2.593 173 S HA 0.334 4.804 4.470 0.000 0.000 0.217 173 S C 0.408 174.957 174.600 -0.085 0.000 0.966 173 S CA -0.633 57.514 58.200 -0.088 0.000 0.914 173 S CB -0.748 62.381 63.200 -0.118 0.000 0.776 173 S HN 0.538 nan 8.310 nan 0.000 0.523 174 I N 2.332 122.859 120.570 -0.072 0.000 2.371 174 I HA 0.270 4.440 4.170 0.000 0.000 0.290 174 I C -0.758 175.347 176.117 -0.021 0.000 1.028 174 I CA -0.624 60.645 61.300 -0.053 0.000 1.345 174 I CB 1.503 39.478 38.000 -0.041 0.000 1.407 174 I HN -0.009 nan 8.210 nan 0.000 0.501 175 V N 8.569 128.473 119.914 -0.016 0.000 2.326 175 V HA 0.284 4.404 4.120 0.000 0.000 0.281 175 V C -2.215 173.885 176.094 0.011 0.000 1.015 175 V CA -1.868 60.438 62.300 0.010 0.000 0.823 175 V CB 1.165 32.995 31.823 0.012 0.000 1.009 175 V HN 0.576 nan 8.190 nan 0.000 0.436 176 P HA 0.125 nan 4.420 nan 0.000 0.266 176 P C -0.809 176.495 177.300 0.008 0.000 1.195 176 P CA -0.137 62.977 63.100 0.023 0.000 0.768 176 P CB 0.556 32.282 31.700 0.043 0.000 0.838 177 L N 4.961 126.183 121.223 -0.002 0.000 2.342 177 L HA 0.427 4.767 4.340 0.000 0.000 0.276 177 L C -1.245 175.621 176.870 -0.007 0.000 0.997 177 L CA -0.329 54.502 54.840 -0.015 0.000 0.838 177 L CB 0.460 42.502 42.059 -0.028 0.000 1.224 177 L HN 0.147 nan 8.230 nan 0.000 0.416 178 I N 3.691 124.252 120.570 -0.014 0.000 2.331 178 I HA 0.379 4.549 4.170 0.000 0.000 0.292 178 I C -0.413 175.696 176.117 -0.013 0.000 0.998 178 I CA -0.245 61.047 61.300 -0.014 0.000 1.267 178 I CB 1.239 39.224 38.000 -0.025 0.000 1.386 178 I HN 0.615 nan 8.210 nan 0.000 0.476 179 D N 4.145 124.546 120.400 0.002 0.000 2.505 179 D HA 0.715 5.355 4.640 0.000 0.000 0.249 179 D C -0.319 175.987 176.300 0.010 0.000 1.082 179 D CA -0.196 53.816 54.000 0.021 0.000 0.839 179 D CB 2.092 42.932 40.800 0.065 0.000 1.317 179 D HN 0.735 nan 8.370 nan 0.000 0.497 180 G N 0.939 109.745 108.800 0.011 0.000 2.591 180 G HA2 0.676 4.637 3.960 0.000 0.000 0.306 180 G HA3 0.676 4.637 3.960 0.000 0.000 0.306 180 G C -0.737 174.174 174.900 0.019 0.000 1.334 180 G CA -0.764 44.331 45.100 -0.008 0.000 0.981 180 G HN 0.548 nan 8.290 nan 0.000 0.491 181 G N -0.844 107.965 108.800 0.014 0.000 2.659 181 G HA2 0.671 4.631 3.960 0.000 0.000 0.296 181 G HA3 0.671 4.631 3.960 0.000 0.000 0.296 181 G C -1.248 173.662 174.900 0.017 0.000 1.369 181 G CA -0.391 44.728 45.100 0.032 0.000 0.937 181 G HN 0.691 nan 8.290 nan 0.000 0.485 182 T N -0.285 114.277 114.554 0.013 0.000 2.896 182 T HA 0.688 5.038 4.350 0.000 0.000 0.297 182 T C -1.394 173.300 174.700 -0.009 0.000 1.108 182 T CA -0.469 61.634 62.100 0.005 0.000 1.004 182 T CB 1.919 70.781 68.868 -0.011 0.000 1.159 182 T HN 0.445 nan 8.240 nan 0.000 0.499 183 E N 1.442 121.626 120.200 -0.026 0.000 2.640 183 E HA 0.413 4.763 4.350 0.000 0.000 0.360 183 E C 0.311 176.850 176.600 -0.103 0.000 1.014 183 E CA 0.027 56.397 56.400 -0.050 0.000 0.757 183 E CB 0.853 30.540 29.700 -0.022 0.000 1.565 183 E HN 1.042 nan 8.360 nan 0.000 0.381 184 G N 2.291 110.973 108.800 -0.197 0.000 2.602 184 G HA2 -0.372 3.588 3.960 0.000 0.000 0.310 184 G HA3 -0.372 3.588 3.960 0.000 0.000 0.310 184 G C 0.254 174.828 174.900 -0.543 0.000 1.183 184 G CA 0.637 45.486 45.100 -0.418 0.000 0.979 184 G HN 0.476 nan 8.290 nan 0.000 0.545 185 F N 2.643 122.597 119.950 0.005 0.000 2.668 185 F HA 0.464 4.991 4.527 0.000 0.000 0.297 185 F C 1.196 176.968 175.800 -0.047 0.000 1.124 185 F CA 0.282 58.281 58.000 -0.002 0.000 1.353 185 F CB 0.472 39.448 39.000 -0.041 0.000 0.992 185 F HN 0.043 nan 8.300 nan 0.000 0.524 186 K N -0.213 120.225 120.400 0.063 0.000 2.385 186 K HA 0.810 5.130 4.320 0.000 0.000 0.248 186 K C -0.163 176.491 176.600 0.090 0.000 0.955 186 K CA -0.876 55.433 56.287 0.037 0.000 0.816 186 K CB 2.369 34.873 32.500 0.007 0.000 1.250 186 K HN 0.122 nan 8.250 nan 0.000 0.434 187 G N 0.844 109.717 108.800 0.122 0.000 2.623 187 G HA2 0.374 4.335 3.960 0.000 0.000 0.290 187 G HA3 0.374 4.335 3.960 0.000 0.000 0.290 187 G C -2.003 172.941 174.900 0.073 0.000 1.437 187 G CA -0.736 44.426 45.100 0.102 0.000 0.798 187 G HN 0.695 nan 8.290 nan 0.000 0.488 188 N N -0.976 117.722 118.700 -0.003 0.000 2.396 188 N HA 0.729 5.469 4.740 0.000 0.000 0.275 188 N C -1.079 174.319 175.510 -0.187 0.000 1.218 188 N CA -0.424 52.548 53.050 -0.131 0.000 0.812 188 N CB 2.320 40.705 38.487 -0.170 0.000 1.592 188 N HN 1.288 nan 8.380 nan 0.000 0.480 189 A N 0.885 123.515 122.820 -0.316 0.000 2.515 189 A HA 0.855 5.175 4.320 0.000 0.000 0.298 189 A C -0.947 176.453 177.584 -0.306 0.000 1.059 189 A CA -0.814 51.089 52.037 -0.223 0.000 0.698 189 A CB 1.778 20.697 19.000 -0.136 0.000 1.289 189 A HN 1.001 nan 8.150 nan 0.000 0.404 190 R N 0.133 120.540 120.500 -0.155 0.000 2.629 190 R HA 0.690 5.030 4.340 0.000 0.000 0.266 190 R C -2.181 174.113 176.300 -0.011 0.000 1.051 190 R CA -0.749 55.301 56.100 -0.082 0.000 0.895 190 R CB 1.357 31.677 30.300 0.032 0.000 1.246 190 R HN 0.411 nan 8.270 nan 0.000 0.459 191 V N 3.358 123.273 119.914 0.002 0.000 2.398 191 V HA 0.455 4.575 4.120 0.000 0.000 0.286 191 V C -0.539 175.569 176.094 0.023 0.000 1.026 191 V CA -0.686 61.620 62.300 0.011 0.000 0.868 191 V CB 1.319 33.147 31.823 0.010 0.000 0.982 191 V HN 0.566 nan 8.190 nan 0.000 0.443 192 I N 5.988 126.572 120.570 0.022 0.000 2.389 192 I HA 0.423 4.593 4.170 0.000 0.000 0.288 192 I C -0.343 175.782 176.117 0.013 0.000 0.999 192 I CA 0.000 61.313 61.300 0.021 0.000 1.129 192 I CB 1.703 39.712 38.000 0.016 0.000 1.288 192 I HN 0.392 nan 8.210 nan 0.000 0.444 193 L N 8.759 129.991 121.223 0.015 0.000 2.313 193 L HA 0.445 4.785 4.340 0.000 0.000 0.273 193 L C -2.260 174.615 176.870 0.007 0.000 1.028 193 L CA -1.746 53.102 54.840 0.013 0.000 0.871 193 L CB 0.812 42.883 42.059 0.021 0.000 1.242 193 L HN 0.285 nan 8.230 nan 0.000 0.434 194 P HA -0.032 nan 4.420 nan 0.000 0.258 194 P C 0.953 178.255 177.300 0.004 0.000 1.172 194 P CA 0.857 63.953 63.100 -0.006 0.000 0.762 194 P CB 0.604 32.287 31.700 -0.027 0.000 0.764 195 G N 2.686 111.511 108.800 0.041 0.000 2.159 195 G HA2 -0.327 3.633 3.960 0.000 0.000 0.256 195 G HA3 -0.327 3.633 3.960 0.000 0.000 0.256 195 G C 0.595 175.539 174.900 0.073 0.000 0.977 195 G CA 0.503 45.658 45.100 0.091 0.000 0.652 195 G HN 0.504 nan 8.290 nan 0.000 0.531 196 M N -0.806 118.820 119.600 0.043 0.000 2.195 196 M HA 0.218 4.698 4.480 0.000 0.000 0.243 196 M C 1.281 177.600 176.300 0.031 0.000 1.313 196 M CA 1.368 56.691 55.300 0.037 0.000 1.077 196 M CB 1.048 33.664 32.600 0.026 0.000 1.664 196 M HN 0.449 nan 8.290 nan 0.000 0.584 197 T N -1.541 113.029 114.554 0.026 0.000 2.858 197 T HA 0.789 5.139 4.350 0.000 0.000 0.285 197 T C -0.251 174.462 174.700 0.021 0.000 1.052 197 T CA -0.783 61.329 62.100 0.020 0.000 1.009 197 T CB 1.595 70.471 68.868 0.014 0.000 1.241 197 T HN 0.160 nan 8.240 nan 0.000 0.542 198 A N 0.569 123.399 122.820 0.018 0.000 2.548 198 A HA 0.463 4.783 4.320 0.000 0.000 0.247 198 A C 1.135 178.736 177.584 0.028 0.000 1.067 198 A CA -0.228 51.823 52.037 0.024 0.000 0.757 198 A CB -1.559 17.453 19.000 0.021 0.000 0.996 198 A HN 1.447 nan 8.150 nan 0.000 0.504 199 C N 2.712 122.025 119.300 0.022 0.000 2.464 199 C HA 0.615 5.075 4.460 0.000 0.000 0.398 199 C C 1.784 176.780 174.990 0.009 0.000 1.451 199 C CA -0.753 58.270 59.018 0.007 0.000 1.986 199 C CB -0.038 27.694 27.740 -0.013 0.000 2.004 199 C HN 0.751 nan 8.230 nan 0.000 0.530 200 I N 0.772 121.317 120.570 -0.042 0.000 2.286 200 I HA -0.099 4.072 4.170 0.000 0.000 0.248 200 I C 2.504 178.571 176.117 -0.084 0.000 1.115 200 I CA 1.763 62.988 61.300 -0.125 0.000 1.392 200 I CB -1.442 36.380 38.000 -0.298 0.000 1.065 200 I HN 0.811 nan 8.210 nan 0.000 0.418 201 E N 0.007 120.169 120.200 -0.063 0.000 2.268 201 E HA -0.140 4.210 4.350 0.000 0.000 0.195 201 E C 2.305 178.909 176.600 0.007 0.000 0.995 201 E CA 0.681 57.060 56.400 -0.034 0.000 0.836 201 E CB -0.306 29.368 29.700 -0.042 0.000 0.763 201 E HN 0.415 nan 8.360 nan 0.000 0.491 202 C N -0.188 119.124 119.300 0.020 0.000 2.448 202 C HA -0.007 4.453 4.460 0.000 0.000 0.280 202 C C 1.642 176.669 174.990 0.061 0.000 1.398 202 C CA 1.434 60.474 59.018 0.036 0.000 1.774 202 C CB -0.908 26.854 27.740 0.036 0.000 1.888 202 C HN 0.496 nan 8.230 nan 0.000 0.519 203 T N -3.231 111.382 114.554 0.098 0.000 3.448 203 T HA 0.254 4.604 4.350 0.000 0.000 0.271 203 T C 0.752 175.570 174.700 0.197 0.000 1.002 203 T CA -0.228 61.950 62.100 0.131 0.000 0.995 203 T CB -0.271 68.679 68.868 0.137 0.000 1.153 203 T HN 0.004 nan 8.240 nan 0.000 0.510 204 L N 1.344 122.656 121.223 0.148 0.000 2.197 204 L HA -0.061 4.279 4.340 0.000 0.000 0.215 204 L C 2.229 179.191 176.870 0.154 0.000 1.095 204 L CA 1.683 56.625 54.840 0.169 0.000 0.764 204 L CB -0.774 41.334 42.059 0.080 0.000 0.897 204 L HN 0.368 nan 8.230 nan 0.000 0.436 205 E N -0.968 119.283 120.200 0.085 0.000 2.204 205 E HA -0.155 4.195 4.350 0.000 0.000 0.195 205 E C 2.204 178.798 176.600 -0.010 0.000 0.990 205 E CA 0.752 57.170 56.400 0.031 0.000 0.821 205 E CB -0.299 29.403 29.700 0.003 0.000 0.750 205 E HN 0.436 nan 8.360 nan 0.000 0.477 206 L N -0.699 120.501 121.223 -0.037 0.000 2.376 206 L HA -0.054 4.286 4.340 0.000 0.000 0.219 206 L C 0.194 176.775 176.870 -0.482 0.000 1.133 206 L CA 0.535 55.210 54.840 -0.274 0.000 0.816 206 L CB -0.013 41.784 42.059 -0.437 0.000 0.933 206 L HN 0.153 nan 8.230 nan 0.000 0.449 207 Y N -0.647 119.679 120.300 0.044 0.000 2.726 207 Y HA 0.322 4.872 4.550 0.000 0.000 0.367 207 Y C -2.215 173.702 175.900 0.029 0.000 1.038 207 Y CA -2.956 55.175 58.100 0.051 0.000 1.174 207 Y CB -0.082 38.410 38.460 0.054 0.000 1.265 207 Y HN -0.093 nan 8.280 nan 0.000 0.622 208 P HA 0.099 nan 4.420 nan 0.000 0.264 208 P C -2.251 175.077 177.300 0.047 0.000 1.229 208 P CA -0.815 62.312 63.100 0.044 0.000 0.780 208 P CB 0.267 31.971 31.700 0.008 0.000 0.808 209 P HA -0.067 nan 4.420 nan 0.000 0.266 209 P C 0.111 177.411 177.300 -0.000 0.000 1.186 209 P CA 0.038 63.156 63.100 0.031 0.000 0.767 209 P CB 0.357 32.070 31.700 0.020 0.000 0.820 210 Q N 0.598 120.392 119.800 -0.010 0.000 2.614 210 Q HA 0.154 4.495 4.340 0.000 0.000 0.244 210 Q C -0.529 175.420 176.000 -0.085 0.000 1.097 210 Q CA -0.801 54.977 55.803 -0.043 0.000 0.986 210 Q CB -0.066 28.647 28.738 -0.042 0.000 1.308 210 Q HN 0.129 nan 8.270 nan 0.000 0.546 211 V N 1.796 121.625 119.914 -0.141 0.000 2.673 211 V HA 0.042 4.162 4.120 0.000 0.000 0.303 211 V C -0.017 175.899 176.094 -0.295 0.000 1.046 211 V CA -0.069 62.081 62.300 -0.250 0.000 1.126 211 V CB 0.213 31.804 31.823 -0.387 0.000 0.934 211 V HN 0.858 nan 8.190 nan 0.000 0.487 212 N N 3.788 122.324 118.700 -0.274 0.000 2.640 212 N HA 0.321 5.061 4.740 0.000 0.000 0.262 212 N C -0.816 174.629 175.510 -0.108 0.000 1.174 212 N CA -0.554 52.392 53.050 -0.174 0.000 0.791 212 N CB 0.474 38.921 38.487 -0.066 0.000 1.279 212 N HN 0.405 nan 8.380 nan 0.000 0.535 213 F N 2.098 122.073 119.950 0.040 0.000 2.629 213 F HA 0.135 4.662 4.527 0.000 0.000 0.369 213 F C -1.155 174.647 175.800 0.002 0.000 1.125 213 F CA -0.673 57.347 58.000 0.033 0.000 1.330 213 F CB 0.093 39.132 39.000 0.064 0.000 1.071 213 F HN 0.324 nan 8.300 nan 0.000 0.595 214 P HA 0.015 nan 4.420 nan 0.000 0.271 214 P C 0.662 177.994 177.300 0.054 0.000 1.216 214 P CA -0.346 62.802 63.100 0.080 0.000 0.776 214 P CB 0.609 32.337 31.700 0.046 0.000 0.881 215 M N 2.152 121.777 119.600 0.043 0.000 2.073 215 M HA -0.222 4.258 4.480 0.000 0.000 0.258 215 M C 2.326 178.631 176.300 0.008 0.000 1.070 215 M CA 2.056 57.377 55.300 0.035 0.000 1.103 215 M CB -1.888 30.732 32.600 0.033 0.000 1.321 215 M HN 0.611 nan 8.290 nan 0.000 0.405 216 C N -0.410 118.887 119.300 -0.006 0.000 2.385 216 C HA -0.231 4.229 4.460 0.000 0.000 0.275 216 C C 2.696 177.641 174.990 -0.075 0.000 1.207 216 C CA 2.359 61.361 59.018 -0.028 0.000 1.760 216 C CB -1.634 26.092 27.740 -0.024 0.000 2.051 216 C HN 0.572 nan 8.230 nan 0.000 0.467 217 T N 1.118 115.605 114.554 -0.111 0.000 2.674 217 T HA -0.081 4.269 4.350 0.000 0.000 0.265 217 T C 1.946 176.479 174.700 -0.280 0.000 1.039 217 T CA 1.737 63.694 62.100 -0.238 0.000 1.150 217 T CB -0.239 68.426 68.868 -0.338 0.000 0.864 217 T HN 0.478 nan 8.240 nan 0.000 0.427 218 I N 1.631 122.088 120.570 -0.188 0.000 2.163 218 I HA -0.133 4.037 4.170 0.000 0.000 0.243 218 I C 2.749 178.877 176.117 0.018 0.000 1.085 218 I CA 1.371 62.620 61.300 -0.085 0.000 1.347 218 I CB -1.432 36.595 38.000 0.044 0.000 1.044 218 I HN 0.206 nan 8.210 nan 0.000 0.408 219 A N -0.527 122.321 122.820 0.045 0.000 2.169 219 A HA 0.010 4.330 4.320 0.000 0.000 0.212 219 A C 2.055 179.613 177.584 -0.044 0.000 1.153 219 A CA 1.406 53.501 52.037 0.097 0.000 0.756 219 A CB -0.204 18.867 19.000 0.120 0.000 0.813 219 A HN 0.534 nan 8.150 nan 0.000 0.471 220 S N -3.033 112.595 115.700 -0.120 0.000 2.700 220 S HA 0.326 4.796 4.470 0.000 0.000 0.272 220 S C 0.318 174.792 174.600 -0.210 0.000 1.052 220 S CA -0.047 58.066 58.200 -0.145 0.000 1.317 220 S CB -0.174 62.990 63.200 -0.061 0.000 1.212 220 S HN 0.229 nan 8.310 nan 0.000 0.675 221 M N 2.844 122.297 119.600 -0.246 0.000 3.320 221 M HA 0.386 4.866 4.480 0.000 0.000 0.414 221 M C -2.970 173.163 176.300 -0.277 0.000 1.553 221 M CA -1.466 53.694 55.300 -0.233 0.000 0.742 221 M CB 1.683 34.195 32.600 -0.146 0.000 1.434 221 M HN 0.036 nan 8.290 nan 0.000 0.505 222 P HA 0.053 nan 4.420 nan 0.000 0.265 222 P C -0.410 176.853 177.300 -0.062 0.000 1.193 222 P CA 0.492 63.455 63.100 -0.229 0.000 0.765 222 P CB 1.076 32.572 31.700 -0.340 0.000 0.823 223 R N 1.421 122.055 120.500 0.223 0.000 2.576 223 R HA 0.332 4.672 4.340 0.000 0.000 0.237 223 R C 0.384 176.692 176.300 0.013 0.000 0.917 223 R CA -0.037 56.127 56.100 0.107 0.000 1.002 223 R CB 0.343 30.714 30.300 0.119 0.000 1.428 223 R HN 0.371 nan 8.270 nan 0.000 0.603 224 L N 1.562 122.702 121.223 -0.138 0.000 2.323 224 L HA 0.443 4.783 4.340 0.000 0.000 0.265 224 L C -1.728 174.968 176.870 -0.290 0.000 1.012 224 L CA -2.514 52.124 54.840 -0.336 0.000 0.820 224 L CB 1.982 43.676 42.059 -0.608 0.000 1.334 224 L HN -0.233 nan 8.230 nan 0.000 0.427 225 P HA -0.184 nan 4.420 nan 0.000 0.216 225 P C 0.838 178.071 177.300 -0.113 0.000 1.153 225 P CA 1.381 64.429 63.100 -0.087 0.000 0.858 225 P CB 0.386 32.068 31.700 -0.030 0.000 0.789 226 E N -1.018 119.067 120.200 -0.192 0.000 2.130 226 E HA -0.214 4.136 4.350 0.000 0.000 0.196 226 E C 2.151 178.600 176.600 -0.251 0.000 0.998 226 E CA 1.199 57.501 56.400 -0.163 0.000 0.806 226 E CB -0.876 28.762 29.700 -0.104 0.000 0.738 226 E HN 0.453 nan 8.360 nan 0.000 0.459 227 H N -0.739 118.105 119.070 -0.377 0.000 2.387 227 H HA -0.042 4.514 4.556 0.000 0.000 0.299 227 H C 2.211 177.444 175.328 -0.158 0.000 1.090 227 H CA 1.116 56.912 56.048 -0.419 0.000 1.332 227 H CB -0.818 28.716 29.762 -0.379 0.000 1.386 227 H HN 0.268 nan 8.280 nan 0.000 0.516 228 C N 0.682 119.989 119.300 0.012 0.000 2.462 228 C HA -0.076 4.384 4.460 0.000 0.000 0.278 228 C C 3.028 178.087 174.990 0.116 0.000 1.253 228 C CA 0.507 59.556 59.018 0.052 0.000 1.713 228 C CB -1.070 26.682 27.740 0.020 0.000 2.049 228 C HN 0.422 nan 8.230 nan 0.000 0.477 229 I N 0.948 121.565 120.570 0.077 0.000 2.163 229 I HA -0.222 3.948 4.170 0.000 0.000 0.243 229 I C 2.648 178.841 176.117 0.126 0.000 1.085 229 I CA 1.761 63.123 61.300 0.102 0.000 1.347 229 I CB -0.586 37.464 38.000 0.083 0.000 1.044 229 I HN 0.302 nan 8.210 nan 0.000 0.408 230 E N 0.646 120.918 120.200 0.120 0.000 2.085 230 E HA -0.287 4.063 4.350 0.000 0.000 0.194 230 E C 2.064 178.752 176.600 0.147 0.000 0.994 230 E CA 1.553 58.043 56.400 0.150 0.000 0.801 230 E CB -0.488 29.319 29.700 0.177 0.000 0.743 230 E HN 0.540 nan 8.360 nan 0.000 0.453 231 Y N -0.040 120.288 120.300 0.047 0.000 2.128 231 Y HA -0.222 4.328 4.550 0.000 0.000 0.284 231 Y C 2.037 177.996 175.900 0.099 0.000 1.154 231 Y CA 1.932 60.063 58.100 0.051 0.000 1.149 231 Y CB -0.387 38.082 38.460 0.015 0.000 0.976 231 Y HN -0.047 nan 8.280 nan 0.000 0.505 232 V N 1.606 121.619 119.914 0.164 0.000 2.295 232 V HA -0.313 3.807 4.120 0.000 0.000 0.246 232 V C 2.598 178.798 176.094 0.176 0.000 1.049 232 V CA 2.365 64.757 62.300 0.152 0.000 1.024 232 V CB -0.859 31.085 31.823 0.201 0.000 0.648 232 V HN 0.433 nan 8.190 nan 0.000 0.447 233 R N -0.039 120.548 120.500 0.145 0.000 2.075 233 R HA -0.134 4.206 4.340 0.000 0.000 0.232 233 R C 2.251 178.590 176.300 0.064 0.000 1.126 233 R CA 2.193 58.359 56.100 0.109 0.000 0.963 233 R CB -0.220 30.114 30.300 0.056 0.000 0.858 233 R HN 0.517 nan 8.270 nan 0.000 0.435 234 M N -0.159 119.457 119.600 0.027 0.000 2.514 234 M HA 0.071 4.551 4.480 0.000 0.000 0.258 234 M C 0.905 177.181 176.300 -0.039 0.000 1.119 234 M CA 0.982 56.285 55.300 0.005 0.000 1.111 234 M CB 0.491 33.107 32.600 0.027 0.000 1.390 234 M HN 0.253 nan 8.290 nan 0.000 0.475 235 L N -1.711 119.421 121.223 -0.152 0.000 2.664 235 L HA 0.122 4.463 4.340 0.000 0.000 0.198 235 L C 2.175 178.956 176.870 -0.148 0.000 1.057 235 L CA 0.163 54.877 54.840 -0.210 0.000 0.871 235 L CB -0.388 41.412 42.059 -0.431 0.000 1.364 235 L HN 0.146 nan 8.230 nan 0.000 0.483 236 Q N 0.024 119.693 119.800 -0.218 0.000 2.079 236 Q HA -0.241 4.099 4.340 0.000 0.000 0.200 236 Q C 2.066 178.195 176.000 0.216 0.000 0.974 236 Q CA 1.982 57.803 55.803 0.030 0.000 0.840 236 Q CB -0.089 28.713 28.738 0.108 0.000 0.898 236 Q HN 0.553 nan 8.270 nan 0.000 0.430 237 W N 1.083 122.455 121.300 0.120 0.000 2.388 237 W HA -0.030 4.630 4.660 0.000 0.000 0.294 237 W C -1.282 175.224 176.519 -0.022 0.000 1.212 237 W CA 0.967 58.352 57.345 0.066 0.000 1.271 237 W CB -1.130 28.369 29.460 0.065 0.000 1.126 237 W HN 0.178 nan 8.180 nan 0.000 0.535 238 P HA -0.150 nan 4.420 nan 0.000 0.216 238 P C 1.537 178.864 177.300 0.045 0.000 1.153 238 P CA 2.354 65.556 63.100 0.170 0.000 0.844 238 P CB -0.070 31.703 31.700 0.121 0.000 0.787 239 K N 0.794 121.212 120.400 0.029 0.000 1.963 239 K HA -0.077 4.243 4.320 0.000 0.000 0.216 239 K C 0.661 177.240 176.600 -0.035 0.000 1.045 239 K CA 1.406 57.696 56.287 0.005 0.000 0.954 239 K CB -0.898 31.616 32.500 0.022 0.000 0.732 239 K HN 0.084 nan 8.250 nan 0.000 0.442 240 E N 0.613 120.790 120.200 -0.039 0.000 2.392 240 E HA 0.041 4.391 4.350 0.000 0.000 0.256 240 E C -0.367 176.047 176.600 -0.309 0.000 1.145 240 E CA 0.088 56.421 56.400 -0.112 0.000 0.929 240 E CB 0.638 30.331 29.700 -0.011 0.000 0.998 240 E HN 0.221 nan 8.360 nan 0.000 0.442 241 Q N 1.213 120.767 119.800 -0.410 0.000 3.230 241 Q HA 0.148 4.488 4.340 0.000 0.000 0.303 241 Q C -2.153 173.424 176.000 -0.704 0.000 0.884 241 Q CA -1.402 54.053 55.803 -0.581 0.000 0.859 241 Q CB 1.264 29.822 28.738 -0.300 0.000 1.432 241 Q HN 0.346 nan 8.270 nan 0.000 0.403 242 P HA -0.212 nan 4.420 nan 0.000 0.226 242 P C 0.351 177.123 177.300 -0.879 0.000 1.154 242 P CA 1.773 64.169 63.100 -1.173 0.000 0.901 242 P CB 0.111 30.493 31.700 -2.197 0.000 0.788 243 F N -1.771 117.695 119.950 -0.806 0.000 2.684 243 F HA 0.507 5.035 4.527 0.000 0.000 0.298 243 F C 1.280 176.944 175.800 -0.226 0.000 1.120 243 F CA 0.334 58.099 58.000 -0.392 0.000 1.332 243 F CB 0.142 38.991 39.000 -0.250 0.000 0.986 243 F HN -0.068 nan 8.300 nan 0.000 0.524 244 G N 0.234 108.936 108.800 -0.163 0.000 2.576 244 G HA2 -0.109 3.851 3.960 0.000 0.000 0.686 244 G HA3 -0.109 3.851 3.960 0.000 0.000 0.686 244 G C -0.843 174.009 174.900 -0.080 0.000 1.242 244 G CA -1.344 43.699 45.100 -0.095 0.000 0.819 244 G HN -0.083 nan 8.290 nan 0.000 0.655 245 E N 0.451 120.612 120.200 -0.064 0.000 2.417 245 E HA 0.392 4.742 4.350 0.000 0.000 0.261 245 E C 1.489 178.085 176.600 -0.007 0.000 1.000 245 E CA 1.484 57.858 56.400 -0.044 0.000 0.919 245 E CB 0.848 30.527 29.700 -0.035 0.000 0.955 245 E HN 2.208 nan 8.360 nan 0.000 0.455 246 G N 2.145 110.951 108.800 0.011 0.000 2.253 246 G HA2 -0.318 3.642 3.960 0.000 0.000 0.251 246 G HA3 -0.318 3.642 3.960 0.000 0.000 0.251 246 G C 0.424 175.371 174.900 0.079 0.000 0.998 246 G CA 0.157 45.281 45.100 0.040 0.000 0.621 246 G HN 0.428 nan 8.290 nan 0.000 0.524 247 V N 4.316 124.286 119.914 0.094 0.000 2.409 247 V HA 0.330 4.450 4.120 0.000 0.000 0.270 247 V C -0.893 175.379 176.094 0.296 0.000 1.019 247 V CA -0.504 61.898 62.300 0.170 0.000 1.066 247 V CB 0.514 32.447 31.823 0.184 0.000 1.021 247 V HN 0.387 nan 8.190 nan 0.000 0.476 248 P HA 0.155 nan 4.420 nan 0.000 0.279 248 P C -0.391 176.967 177.300 0.096 0.000 1.239 248 P CA -0.688 62.526 63.100 0.189 0.000 0.789 248 P CB 1.366 33.105 31.700 0.065 0.000 0.933 249 L N 2.745 123.756 121.223 -0.354 0.000 2.615 249 L HA 0.107 4.447 4.340 0.000 0.000 0.271 249 L C -0.212 176.453 176.870 -0.341 0.000 1.183 249 L CA 0.586 54.845 54.840 -0.967 0.000 0.933 249 L CB -1.165 39.913 42.059 -1.635 0.000 1.199 249 L HN 0.266 nan 8.230 nan 0.000 0.487 250 D N 3.443 123.803 120.400 -0.067 0.000 2.467 250 D HA 0.359 4.999 4.640 0.000 0.000 0.220 250 D C 1.338 177.514 176.300 -0.207 0.000 1.103 250 D CA 0.271 54.159 54.000 -0.187 0.000 0.886 250 D CB 1.188 41.799 40.800 -0.315 0.000 1.025 250 D HN 0.727 nan 8.370 nan 0.000 0.514 251 G N 3.010 111.706 108.800 -0.173 0.000 2.549 251 G HA2 -0.260 3.700 3.960 0.000 0.000 0.222 251 G HA3 -0.260 3.700 3.960 0.000 0.000 0.222 251 G C 1.000 175.835 174.900 -0.109 0.000 1.100 251 G CA 0.513 45.532 45.100 -0.136 0.000 0.739 251 G HN 0.531 nan 8.290 nan 0.000 0.577 252 D N -0.257 120.070 120.400 -0.121 0.000 2.367 252 D HA 0.015 4.655 4.640 0.000 0.000 0.207 252 D C 0.095 176.330 176.300 -0.107 0.000 1.034 252 D CA -0.124 53.821 54.000 -0.091 0.000 0.861 252 D CB 0.275 41.028 40.800 -0.078 0.000 0.943 252 D HN 0.141 nan 8.370 nan 0.000 0.515 253 D N 1.489 121.765 120.400 -0.208 0.000 2.346 253 D HA 0.023 4.663 4.640 0.000 0.000 0.260 253 D C -1.553 174.696 176.300 -0.086 0.000 1.252 253 D CA -1.772 52.063 54.000 -0.275 0.000 0.895 253 D CB 1.995 42.315 40.800 -0.800 0.000 1.097 253 D HN -0.086 nan 8.370 nan 0.000 0.489 254 P HA -0.161 nan 4.420 nan 0.000 0.216 254 P C 0.922 178.362 177.300 0.234 0.000 1.154 254 P CA 1.233 64.420 63.100 0.145 0.000 0.865 254 P CB 0.340 32.106 31.700 0.111 0.000 0.789 255 E N -1.880 118.450 120.200 0.217 0.000 2.153 255 E HA -0.199 4.151 4.350 0.000 0.000 0.194 255 E C 1.991 178.881 176.600 0.484 0.000 0.988 255 E CA 0.810 57.443 56.400 0.389 0.000 0.811 255 E CB -0.411 29.574 29.700 0.475 0.000 0.746 255 E HN 0.540 nan 8.360 nan 0.000 0.466 256 H N -0.266 118.821 119.070 0.028 0.000 2.389 256 H HA -0.066 4.490 4.556 0.000 0.000 0.299 256 H C 2.008 177.494 175.328 0.263 0.000 1.081 256 H CA 0.446 56.519 56.048 0.041 0.000 1.345 256 H CB 0.297 29.915 29.762 -0.240 0.000 1.393 256 H HN 0.118 nan 8.280 nan 0.000 0.520 257 I N 1.001 121.743 120.570 0.287 0.000 2.353 257 I HA -0.184 3.986 4.170 0.000 0.000 0.248 257 I C 2.485 178.771 176.117 0.282 0.000 1.119 257 I CA 1.009 62.395 61.300 0.144 0.000 1.417 257 I CB -0.710 37.229 38.000 -0.101 0.000 1.078 257 I HN 0.268 nan 8.210 nan 0.000 0.421 258 Q N 0.169 120.263 119.800 0.490 0.000 2.124 258 Q HA -0.252 4.088 4.340 0.000 0.000 0.202 258 Q C 2.106 178.430 176.000 0.539 0.000 0.977 258 Q CA 1.829 58.000 55.803 0.614 0.000 0.850 258 Q CB -0.571 28.483 28.738 0.526 0.000 0.901 258 Q HN 0.488 nan 8.270 nan 0.000 0.429 259 W N -0.004 121.535 121.300 0.399 0.000 2.379 259 W HA -0.133 4.527 4.660 0.000 0.000 0.307 259 W C 1.532 178.238 176.519 0.311 0.000 1.200 259 W CA 1.358 58.924 57.345 0.367 0.000 1.297 259 W CB -0.148 29.611 29.460 0.498 0.000 1.140 259 W HN 0.145 nan 8.180 nan 0.000 0.507 260 I N 0.183 121.076 120.570 0.538 0.000 2.208 260 I HA -0.291 3.879 4.170 0.000 0.000 0.245 260 I C 2.340 178.546 176.117 0.147 0.000 1.097 260 I CA 1.544 63.035 61.300 0.318 0.000 1.363 260 I CB -2.097 36.094 38.000 0.317 0.000 1.051 260 I HN 0.044 nan 8.210 nan 0.000 0.413 261 F N 2.123 122.095 119.950 0.037 0.000 2.134 261 F HA -0.222 4.305 4.527 0.000 0.000 0.299 261 F C 2.585 178.379 175.800 -0.010 0.000 1.097 261 F CA 1.694 59.704 58.000 0.017 0.000 1.264 261 F CB -0.475 38.577 39.000 0.086 0.000 1.001 261 F HN 0.132 nan 8.300 nan 0.000 0.479 262 Q N -0.137 119.542 119.800 -0.202 0.000 2.083 262 Q HA -0.147 4.193 4.340 0.000 0.000 0.198 262 Q C 2.130 177.913 176.000 -0.360 0.000 0.969 262 Q CA 1.241 56.827 55.803 -0.363 0.000 0.838 262 Q CB -0.139 28.460 28.738 -0.233 0.000 0.900 262 Q HN 0.209 nan 8.270 nan 0.000 0.436 263 K N 0.292 120.438 120.400 -0.423 0.000 2.148 263 K HA 0.000 4.321 4.320 0.000 0.000 0.204 263 K C 2.135 178.635 176.600 -0.167 0.000 1.050 263 K CA 0.786 56.855 56.287 -0.362 0.000 0.942 263 K CB -0.174 31.987 32.500 -0.565 0.000 0.724 263 K HN 0.040 nan 8.250 nan 0.000 0.446 264 S N 1.680 117.304 115.700 -0.126 0.000 2.356 264 S HA -0.045 4.425 4.470 0.000 0.000 0.223 264 S C 2.075 176.622 174.600 -0.088 0.000 1.032 264 S CA 0.930 59.106 58.200 -0.040 0.000 1.005 264 S CB -0.258 62.957 63.200 0.025 0.000 0.867 264 S HN 0.191 nan 8.310 nan 0.000 0.449 265 L N 1.238 122.339 121.223 -0.203 0.000 2.079 265 L HA -0.158 4.182 4.340 0.000 0.000 0.210 265 L C 2.665 179.452 176.870 -0.138 0.000 1.081 265 L CA 1.293 56.011 54.840 -0.203 0.000 0.752 265 L CB -0.512 41.337 42.059 -0.350 0.000 0.896 265 L HN 0.389 nan 8.230 nan 0.000 0.433 266 E N 0.427 120.538 120.200 -0.148 0.000 2.038 266 E HA -0.294 4.056 4.350 0.000 0.000 0.195 266 E C 2.349 178.910 176.600 -0.066 0.000 1.000 266 E CA 1.479 57.813 56.400 -0.110 0.000 0.803 266 E CB 0.004 29.633 29.700 -0.118 0.000 0.750 266 E HN 0.304 nan 8.360 nan 0.000 0.448 267 R N 0.126 120.606 120.500 -0.033 0.000 2.115 267 R HA -0.099 4.241 4.340 0.000 0.000 0.230 267 R C 2.105 178.460 176.300 0.092 0.000 1.111 267 R CA 1.257 57.374 56.100 0.027 0.000 0.976 267 R CB -0.220 30.077 30.300 -0.005 0.000 0.870 267 R HN 0.155 nan 8.270 nan 0.000 0.445 268 A N 0.109 122.947 122.820 0.030 0.000 1.930 268 A HA -0.151 4.169 4.320 0.000 0.000 0.217 268 A C 2.187 179.782 177.584 0.019 0.000 1.175 268 A CA 1.705 53.766 52.037 0.040 0.000 0.627 268 A CB -0.765 18.235 19.000 0.001 0.000 0.815 268 A HN 0.484 nan 8.150 nan 0.000 0.443 269 S N -0.691 114.990 115.700 -0.031 0.000 2.348 269 S HA -0.278 4.192 4.470 0.000 0.000 0.221 269 S C 2.227 176.767 174.600 -0.099 0.000 1.033 269 S CA 1.810 59.975 58.200 -0.058 0.000 1.010 269 S CB -0.412 62.743 63.200 -0.075 0.000 0.891 269 S HN 0.689 nan 8.310 nan 0.000 0.442 270 Q N -1.265 118.439 119.800 -0.160 0.000 2.297 270 Q HA -0.130 4.211 4.340 0.000 0.000 0.208 270 Q C 0.485 176.140 176.000 -0.574 0.000 0.981 270 Q CA 1.587 57.169 55.803 -0.368 0.000 0.876 270 Q CB -0.099 28.359 28.738 -0.468 0.000 0.921 270 Q HN 0.823 nan 8.270 nan 0.000 0.446 271 Y N -0.681 119.581 120.300 -0.064 0.000 2.612 271 Y HA 0.229 4.780 4.550 0.000 0.000 0.250 271 Y C 0.012 175.887 175.900 -0.040 0.000 1.175 271 Y CA -0.347 57.720 58.100 -0.054 0.000 1.205 271 Y CB 0.477 38.898 38.460 -0.064 0.000 1.201 271 Y HN 0.114 nan 8.280 nan 0.000 0.532 272 N N 1.575 120.297 118.700 0.037 0.000 2.714 272 N HA -0.182 4.559 4.740 0.000 0.000 0.253 272 N C -1.332 174.200 175.510 0.038 0.000 1.024 272 N CA 0.381 53.443 53.050 0.021 0.000 0.726 272 N CB -0.999 37.494 38.487 0.009 0.000 0.908 272 N HN 0.185 nan 8.380 nan 0.000 0.542 273 I N 1.042 121.638 120.570 0.044 0.000 2.354 273 I HA 0.333 4.503 4.170 0.000 0.000 0.292 273 I C 1.185 177.310 176.117 0.014 0.000 0.989 273 I CA -0.357 60.961 61.300 0.029 0.000 1.188 273 I CB 1.463 39.481 38.000 0.030 0.000 1.342 273 I HN 0.132 nan 8.210 nan 0.000 0.457 274 R N 2.571 123.077 120.500 0.010 0.000 2.607 274 R HA 0.588 4.928 4.340 0.000 0.000 0.261 274 R C 0.837 177.147 176.300 0.017 0.000 1.051 274 R CA 0.138 56.246 56.100 0.014 0.000 1.110 274 R CB 1.073 31.382 30.300 0.014 0.000 1.158 274 R HN 0.909 nan 8.270 nan 0.000 0.543 275 G N -0.261 108.559 108.800 0.034 0.000 2.176 275 G HA2 -0.240 3.720 3.960 0.000 0.000 0.232 275 G HA3 -0.240 3.720 3.960 0.000 0.000 0.232 275 G C -0.101 174.844 174.900 0.075 0.000 0.986 275 G CA -0.134 44.992 45.100 0.044 0.000 0.643 275 G HN 0.386 nan 8.290 nan 0.000 0.522 276 V N 2.966 122.935 119.914 0.092 0.000 2.397 276 V HA 0.521 4.641 4.120 0.000 0.000 0.262 276 V C 1.028 177.328 176.094 0.343 0.000 1.047 276 V CA 0.893 63.290 62.300 0.162 0.000 1.003 276 V CB 0.391 32.276 31.823 0.104 0.000 1.037 276 V HN 0.801 nan 8.190 nan 0.000 0.480 277 T N 1.450 116.181 114.554 0.296 0.000 2.930 277 T HA 0.406 4.756 4.350 0.000 0.000 0.290 277 T C 0.611 175.278 174.700 -0.055 0.000 1.052 277 T CA -0.574 61.668 62.100 0.238 0.000 1.017 277 T CB 1.328 70.254 68.868 0.097 0.000 1.137 277 T HN 0.331 nan 8.240 nan 0.000 0.511 278 Y N 1.192 121.079 120.300 -0.688 0.000 2.165 278 Y HA -0.084 4.466 4.550 0.000 0.000 0.286 278 Y C 2.927 178.663 175.900 -0.273 0.000 1.155 278 Y CA 1.979 59.617 58.100 -0.770 0.000 1.164 278 Y CB -0.068 37.941 38.460 -0.752 0.000 0.978 278 Y HN 0.747 nan 8.280 nan 0.000 0.513 279 R N -0.268 120.216 120.500 -0.027 0.000 2.073 279 R HA -0.191 4.149 4.340 0.000 0.000 0.234 279 R C 2.175 178.449 176.300 -0.044 0.000 1.134 279 R CA 1.750 57.846 56.100 -0.007 0.000 0.952 279 R CB -0.612 29.702 30.300 0.023 0.000 0.850 279 R HN 0.451 nan 8.270 nan 0.000 0.433 280 L N 0.695 121.904 121.223 -0.024 0.000 2.141 280 L HA -0.085 4.255 4.340 0.000 0.000 0.209 280 L C 1.882 178.740 176.870 -0.018 0.000 1.094 280 L CA 1.892 56.731 54.840 -0.001 0.000 0.763 280 L CB -0.397 41.681 42.059 0.033 0.000 0.908 280 L HN 0.165 nan 8.230 nan 0.000 0.437 281 T N -0.871 113.646 114.554 -0.063 0.000 2.746 281 T HA -0.193 4.157 4.350 0.000 0.000 0.267 281 T C 1.798 176.418 174.700 -0.134 0.000 1.039 281 T CA 1.663 63.717 62.100 -0.077 0.000 1.142 281 T CB -0.139 68.653 68.868 -0.127 0.000 0.866 281 T HN 0.484 nan 8.240 nan 0.000 0.444 282 Q N 0.303 119.978 119.800 -0.209 0.000 2.079 282 Q HA -0.006 4.334 4.340 0.000 0.000 0.200 282 Q C 2.797 178.753 176.000 -0.072 0.000 0.974 282 Q CA 1.276 56.985 55.803 -0.157 0.000 0.840 282 Q CB -0.508 28.146 28.738 -0.139 0.000 0.898 282 Q HN 0.586 nan 8.270 nan 0.000 0.430 283 G N 0.603 109.375 108.800 -0.046 0.000 2.476 283 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 283 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 283 G C 1.521 176.421 174.900 0.000 0.000 1.164 283 G CA 1.190 46.280 45.100 -0.016 0.000 0.768 283 G HN 0.219 nan 8.290 nan 0.000 0.560 284 V N 0.291 120.216 119.914 0.017 0.000 2.307 284 V HA -0.146 3.975 4.120 0.000 0.000 0.245 284 V C 3.031 179.142 176.094 0.030 0.000 1.045 284 V CA 1.416 63.748 62.300 0.054 0.000 1.024 284 V CB -0.445 31.434 31.823 0.092 0.000 0.651 284 V HN 0.245 nan 8.190 nan 0.000 0.449 285 V N 0.111 120.024 119.914 -0.002 0.000 2.252 285 V HA -0.298 3.822 4.120 0.000 0.000 0.249 285 V C 2.220 178.290 176.094 -0.040 0.000 1.056 285 V CA 2.190 64.472 62.300 -0.029 0.000 1.022 285 V CB -0.708 31.079 31.823 -0.060 0.000 0.641 285 V HN 0.544 nan 8.190 nan 0.000 0.445 286 K N -0.836 119.539 120.400 -0.041 0.000 2.444 286 K HA 0.114 4.434 4.320 0.000 0.000 0.193 286 K C 0.389 176.973 176.600 -0.027 0.000 1.024 286 K CA -0.211 56.051 56.287 -0.040 0.000 1.077 286 K CB 0.154 32.629 32.500 -0.041 0.000 0.833 286 K HN 0.120 nan 8.250 nan 0.000 0.517 287 R N 1.001 121.492 120.500 -0.016 0.000 3.416 287 R HA -0.176 4.164 4.340 0.000 0.000 0.263 287 R C -0.488 175.801 176.300 -0.017 0.000 1.053 287 R CA 0.509 56.601 56.100 -0.014 0.000 0.705 287 R CB -2.692 27.596 30.300 -0.021 0.000 1.124 287 R HN 0.338 nan 8.270 nan 0.000 0.444 288 I N 1.077 121.638 120.570 -0.016 0.000 2.710 288 I HA -0.046 4.124 4.170 0.000 0.000 0.286 288 I C 1.327 177.433 176.117 -0.019 0.000 1.181 288 I CA 0.622 61.911 61.300 -0.018 0.000 1.430 288 I CB 0.333 38.323 38.000 -0.017 0.000 1.367 288 I HN 0.053 nan 8.210 nan 0.000 0.577 289 I N 7.994 128.550 120.570 -0.023 0.000 2.362 289 I HA 0.305 4.475 4.170 0.000 0.000 0.289 289 I C -2.023 174.068 176.117 -0.043 0.000 0.994 289 I CA -1.907 59.375 61.300 -0.030 0.000 1.158 289 I CB 1.152 39.136 38.000 -0.027 0.000 1.315 289 I HN 0.350 nan 8.210 nan 0.000 0.451 290 P HA 0.273 nan 4.420 nan 0.000 0.266 290 P C -0.889 176.341 177.300 -0.117 0.000 1.193 290 P CA -0.100 62.953 63.100 -0.079 0.000 0.770 290 P CB 0.663 32.311 31.700 -0.087 0.000 0.836 291 A N 1.432 124.180 122.820 -0.121 0.000 2.604 291 A HA 0.688 5.008 4.320 0.000 0.000 0.295 291 A C -0.855 176.652 177.584 -0.129 0.000 1.067 291 A CA -0.488 51.468 52.037 -0.135 0.000 0.683 291 A CB 1.292 20.244 19.000 -0.079 0.000 1.281 291 A HN 0.396 nan 8.150 nan 0.000 0.407 292 V N -1.919 117.910 119.914 -0.141 0.000 3.160 292 V HA 0.895 5.016 4.120 0.000 0.000 0.310 292 V C 0.986 177.062 176.094 -0.030 0.000 1.181 292 V CA -0.085 62.170 62.300 -0.075 0.000 1.047 292 V CB 1.004 32.783 31.823 -0.073 0.000 1.068 292 V HN 1.912 nan 8.190 nan 0.000 0.441 293 A N 0.853 123.678 122.820 0.009 0.000 1.872 293 A HA -0.034 4.286 4.320 0.000 0.000 0.214 293 A C 2.338 179.933 177.584 0.019 0.000 1.187 293 A CA 2.335 54.386 52.037 0.022 0.000 0.614 293 A CB -1.081 17.937 19.000 0.029 0.000 0.826 293 A HN 1.660 nan 8.150 nan 0.000 0.442 294 S N -0.248 115.478 115.700 0.043 0.000 2.365 294 S HA -0.205 4.265 4.470 0.000 0.000 0.225 294 S C 1.863 176.486 174.600 0.039 0.000 1.039 294 S CA 2.211 60.442 58.200 0.051 0.000 1.033 294 S CB -1.459 61.814 63.200 0.123 0.000 0.887 294 S HN 0.497 nan 8.310 nan 0.000 0.447 295 T N 2.702 117.305 114.554 0.082 0.000 2.788 295 T HA -0.020 4.330 4.350 0.000 0.000 0.268 295 T C 1.801 176.489 174.700 -0.020 0.000 1.044 295 T CA 1.308 63.454 62.100 0.077 0.000 1.139 295 T CB -0.539 68.388 68.868 0.098 0.000 0.867 295 T HN 0.468 nan 8.240 nan 0.000 0.454 296 N N 1.287 119.973 118.700 -0.023 0.000 2.188 296 N HA -0.019 4.721 4.740 0.000 0.000 0.184 296 N C 2.233 177.714 175.510 -0.049 0.000 1.018 296 N CA 1.227 54.257 53.050 -0.033 0.000 0.858 296 N CB -0.293 38.181 38.487 -0.020 0.000 0.989 296 N HN 0.420 nan 8.380 nan 0.000 0.426 297 A N 1.076 123.867 122.820 -0.048 0.000 1.877 297 A HA -0.080 4.241 4.320 0.000 0.000 0.216 297 A C 2.574 180.077 177.584 -0.135 0.000 1.186 297 A CA 1.201 53.197 52.037 -0.069 0.000 0.620 297 A CB -0.804 18.152 19.000 -0.074 0.000 0.822 297 A HN 0.083 nan 8.150 nan 0.000 0.443 298 V N 0.521 120.307 119.914 -0.214 0.000 2.255 298 V HA -0.255 3.865 4.120 0.000 0.000 0.247 298 V C 2.451 178.365 176.094 -0.301 0.000 1.051 298 V CA 1.912 63.990 62.300 -0.370 0.000 1.018 298 V CB -0.621 30.726 31.823 -0.793 0.000 0.641 298 V HN 0.516 nan 8.190 nan 0.000 0.445 299 I N 0.436 120.867 120.570 -0.231 0.000 2.315 299 I HA -0.180 3.990 4.170 0.000 0.000 0.248 299 I C 2.636 178.687 176.117 -0.109 0.000 1.117 299 I CA 1.900 63.111 61.300 -0.148 0.000 1.404 299 I CB -1.535 36.414 38.000 -0.084 0.000 1.071 299 I HN 0.323 nan 8.210 nan 0.000 0.419 300 A N 0.669 123.434 122.820 -0.091 0.000 1.969 300 A HA -0.033 4.287 4.320 0.000 0.000 0.218 300 A C 2.557 180.097 177.584 -0.074 0.000 1.169 300 A CA 1.565 53.561 52.037 -0.067 0.000 0.635 300 A CB -0.533 18.441 19.000 -0.044 0.000 0.810 300 A HN 0.398 nan 8.150 nan 0.000 0.445 301 A N -0.388 122.374 122.820 -0.097 0.000 1.873 301 A HA 0.011 4.331 4.320 0.000 0.000 0.215 301 A C 2.209 179.734 177.584 -0.098 0.000 1.186 301 A CA 1.710 53.687 52.037 -0.100 0.000 0.616 301 A CB -0.967 17.957 19.000 -0.126 0.000 0.823 301 A HN 0.361 nan 8.150 nan 0.000 0.442 302 V N -0.560 119.287 119.914 -0.113 0.000 2.255 302 V HA -0.364 3.756 4.120 0.000 0.000 0.247 302 V C 2.701 178.754 176.094 -0.069 0.000 1.051 302 V CA 2.199 64.442 62.300 -0.096 0.000 1.018 302 V CB -1.229 30.533 31.823 -0.102 0.000 0.641 302 V HN 0.715 nan 8.190 nan 0.000 0.445 303 C N 0.114 119.373 119.300 -0.067 0.000 2.413 303 C HA -0.107 4.354 4.460 0.000 0.000 0.276 303 C C 3.101 178.067 174.990 -0.039 0.000 1.236 303 C CA 0.850 59.837 59.018 -0.052 0.000 1.735 303 C CB -1.395 26.311 27.740 -0.056 0.000 2.031 303 C HN 0.651 nan 8.230 nan 0.000 0.474 304 A N 0.052 122.846 122.820 -0.043 0.000 1.873 304 A HA -0.165 4.155 4.320 0.000 0.000 0.215 304 A C 2.192 179.799 177.584 0.037 0.000 1.186 304 A CA 2.439 54.460 52.037 -0.026 0.000 0.616 304 A CB -1.215 17.768 19.000 -0.029 0.000 0.823 304 A HN 0.545 nan 8.150 nan 0.000 0.442 305 T N 0.185 114.740 114.554 0.003 0.000 2.737 305 T HA -0.132 4.218 4.350 0.000 0.000 0.269 305 T C 1.755 176.516 174.700 0.101 0.000 1.040 305 T CA 1.640 63.751 62.100 0.018 0.000 1.142 305 T CB -0.229 68.596 68.868 -0.071 0.000 0.861 305 T HN 0.470 nan 8.240 nan 0.000 0.456 306 E N 0.581 120.813 120.200 0.053 0.000 2.152 306 E HA -0.001 4.350 4.350 0.000 0.000 0.192 306 E C 2.475 179.135 176.600 0.100 0.000 0.983 306 E CA 0.434 56.874 56.400 0.067 0.000 0.818 306 E CB -0.530 29.182 29.700 0.021 0.000 0.758 306 E HN 0.332 nan 8.360 nan 0.000 0.467 307 V N 1.189 121.153 119.914 0.082 0.000 2.343 307 V HA -0.223 3.897 4.120 0.000 0.000 0.247 307 V C 2.124 178.353 176.094 0.224 0.000 1.051 307 V CA 1.589 63.928 62.300 0.064 0.000 1.036 307 V CB -0.587 31.174 31.823 -0.103 0.000 0.654 307 V HN 0.137 nan 8.190 nan 0.000 0.451 308 F N 1.195 121.252 119.950 0.177 0.000 2.102 308 F HA -0.193 4.334 4.527 0.000 0.000 0.298 308 F C 2.396 178.312 175.800 0.193 0.000 1.105 308 F CA 1.923 60.101 58.000 0.296 0.000 1.239 308 F CB -0.245 38.877 39.000 0.204 0.000 0.991 308 F HN 0.011 nan 8.300 nan 0.000 0.474 309 K N -0.002 120.549 120.400 0.252 0.000 2.032 309 K HA -0.186 4.134 4.320 0.000 0.000 0.209 309 K C 2.013 178.654 176.600 0.067 0.000 1.048 309 K CA 1.660 58.041 56.287 0.156 0.000 0.927 309 K CB -0.352 32.270 32.500 0.203 0.000 0.712 309 K HN 0.245 nan 8.250 nan 0.000 0.441 310 I N 1.209 121.833 120.570 0.091 0.000 2.286 310 I HA -0.225 3.945 4.170 0.000 0.000 0.248 310 I C 2.454 178.603 176.117 0.053 0.000 1.115 310 I CA 1.273 62.617 61.300 0.075 0.000 1.392 310 I CB -1.315 36.736 38.000 0.086 0.000 1.065 310 I HN 0.132 nan 8.210 nan 0.000 0.418 311 A N 0.568 123.435 122.820 0.079 0.000 1.898 311 A HA -0.167 4.153 4.320 0.000 0.000 0.216 311 A C 2.236 179.819 177.584 -0.000 0.000 1.181 311 A CA 2.295 54.405 52.037 0.122 0.000 0.620 311 A CB -0.874 18.269 19.000 0.238 0.000 0.819 311 A HN 0.520 nan 8.150 nan 0.000 0.442 312 T N -5.121 109.328 114.554 -0.175 0.000 3.069 312 T HA 0.255 4.606 4.350 0.000 0.000 0.252 312 T C 0.600 175.254 174.700 -0.076 0.000 1.053 312 T CA 0.825 62.817 62.100 -0.181 0.000 0.964 312 T CB -0.087 68.549 68.868 -0.386 0.000 1.005 312 T HN 0.490 nan 8.240 nan 0.000 0.532 313 S N 0.600 116.233 115.700 -0.112 0.000 3.614 313 S HA -0.215 4.255 4.470 0.000 0.000 0.360 313 S C 1.428 176.003 174.600 -0.041 0.000 1.023 313 S CA 0.411 58.497 58.200 -0.190 0.000 1.114 313 S CB -1.816 61.135 63.200 -0.414 0.000 0.907 313 S HN 1.012 nan 8.310 nan 0.000 0.470 314 A N -0.959 121.825 122.820 -0.060 0.000 1.897 314 A HA 0.334 4.654 4.320 0.000 0.000 0.215 314 A C 0.511 177.850 177.584 -0.409 0.000 1.181 314 A CA 1.252 53.104 52.037 -0.307 0.000 0.620 314 A CB 0.033 19.056 19.000 0.039 0.000 0.821 314 A HN 0.645 nan 8.150 nan 0.000 0.443 315 Y N -2.442 117.877 120.300 0.031 0.000 2.644 315 Y HA 0.554 5.104 4.550 0.000 0.000 0.338 315 Y C -0.148 175.847 175.900 0.158 0.000 1.119 315 Y CA -1.204 56.946 58.100 0.083 0.000 1.060 315 Y CB 1.098 39.586 38.460 0.047 0.000 1.294 315 Y HN 0.015 nan 8.280 nan 0.000 0.472 316 I N 4.987 125.719 120.570 0.270 0.000 2.588 316 I HA 0.145 4.315 4.170 0.000 0.000 0.283 316 I C -1.990 174.215 176.117 0.147 0.000 1.119 316 I CA -1.561 59.831 61.300 0.154 0.000 1.419 316 I CB 0.591 38.602 38.000 0.019 0.000 1.394 316 I HN 0.280 nan 8.210 nan 0.000 0.562 317 P HA 0.045 nan 4.420 nan 0.000 0.274 317 P C -0.478 176.843 177.300 0.035 0.000 1.231 317 P CA -0.592 62.557 63.100 0.082 0.000 0.790 317 P CB 0.860 32.610 31.700 0.084 0.000 0.951 318 L N 2.544 123.774 121.223 0.013 0.000 2.693 318 L HA -0.149 4.191 4.340 0.000 0.000 0.292 318 L C 1.626 178.487 176.870 -0.016 0.000 1.243 318 L CA 0.757 55.588 54.840 -0.015 0.000 0.903 318 L CB -0.897 41.146 42.059 -0.027 0.000 1.160 318 L HN 0.381 nan 8.230 nan 0.000 0.496 319 N N 3.127 121.809 118.700 -0.029 0.000 2.000 319 N HA -0.229 4.511 4.740 0.000 0.000 0.197 319 N C 0.923 176.408 175.510 -0.043 0.000 1.076 319 N CA 2.456 55.486 53.050 -0.033 0.000 0.869 319 N CB 0.001 38.461 38.487 -0.045 0.000 1.068 319 N HN 0.998 nan 8.380 nan 0.000 0.426 320 N N -3.147 115.506 118.700 -0.078 0.000 1.921 320 N HA -0.021 4.719 4.740 0.000 0.000 0.237 320 N C -0.872 174.619 175.510 -0.032 0.000 1.352 320 N CA -0.237 52.777 53.050 -0.060 0.000 0.805 320 N CB 0.405 38.861 38.487 -0.052 0.000 1.159 320 N HN 0.269 nan 8.380 nan 0.000 0.473 321 Y N 1.172 121.312 120.300 -0.266 0.000 2.322 321 Y HA 0.564 5.114 4.550 0.000 0.000 0.324 321 Y C -1.499 174.385 175.900 -0.027 0.000 1.027 321 Y CA -1.031 56.955 58.100 -0.190 0.000 1.179 321 Y CB 1.166 39.398 38.460 -0.380 0.000 1.136 321 Y HN 0.156 nan 8.280 nan 0.000 0.449 322 L N 6.540 127.670 121.223 -0.155 0.000 2.325 322 L HA 0.864 5.204 4.340 0.000 0.000 0.278 322 L C -1.541 175.326 176.870 -0.005 0.000 1.023 322 L CA -0.741 54.101 54.840 0.004 0.000 0.811 322 L CB 1.304 43.352 42.059 -0.019 0.000 1.249 322 L HN 0.475 nan 8.230 nan 0.000 0.431 323 V N 4.468 124.528 119.914 0.244 0.000 2.680 323 V HA 0.481 4.601 4.120 0.000 0.000 0.309 323 V C -1.003 175.249 176.094 0.264 0.000 1.052 323 V CA -0.510 61.942 62.300 0.252 0.000 0.908 323 V CB 1.875 33.928 31.823 0.384 0.000 1.001 323 V HN 0.607 nan 8.190 nan 0.000 0.431 324 F N 4.133 124.079 119.950 -0.007 0.000 2.540 324 F HA 0.651 5.178 4.527 0.000 0.000 0.317 324 F C -0.415 175.254 175.800 -0.218 0.000 1.104 324 F CA -0.545 57.387 58.000 -0.114 0.000 0.913 324 F CB 1.755 40.709 39.000 -0.076 0.000 1.170 324 F HN 0.543 nan 8.300 nan 0.000 0.450 325 N N 4.006 121.886 118.700 -1.367 0.000 2.371 325 N HA 0.219 4.960 4.740 0.000 0.000 0.291 325 N C -1.000 173.758 175.510 -1.253 0.000 1.053 325 N CA -0.412 51.987 53.050 -1.086 0.000 0.870 325 N CB 1.300 39.220 38.487 -0.944 0.000 1.503 325 N HN 0.658 nan 8.380 nan 0.000 0.485 326 D N 2.710 122.659 120.400 -0.753 0.000 2.433 326 D HA 0.134 4.774 4.640 0.000 0.000 0.211 326 D C 1.353 177.475 176.300 -0.296 0.000 1.114 326 D CA 0.274 54.002 54.000 -0.453 0.000 0.837 326 D CB 0.732 41.496 40.800 -0.059 0.000 0.984 326 D HN 0.306 nan 8.370 nan 0.000 0.505 327 V N 0.266 120.044 119.914 -0.228 0.000 2.229 327 V HA -0.114 4.006 4.120 0.000 0.000 0.243 327 V C 0.989 176.998 176.094 -0.141 0.000 1.042 327 V CA 1.257 63.456 62.300 -0.169 0.000 1.000 327 V CB -0.096 31.692 31.823 -0.059 0.000 0.637 327 V HN 0.114 nan 8.190 nan 0.000 0.446 328 D N -0.456 119.891 120.400 -0.088 0.000 2.485 328 D HA 0.454 5.094 4.640 0.000 0.000 0.229 328 D C 0.526 176.806 176.300 -0.034 0.000 1.101 328 D CA 0.922 54.895 54.000 -0.046 0.000 0.906 328 D CB 0.325 41.123 40.800 -0.003 0.000 1.019 328 D HN 0.437 nan 8.370 nan 0.000 0.516 329 G N 2.582 111.347 108.800 -0.057 0.000 2.552 329 G HA2 -0.151 3.809 3.960 0.000 0.000 0.265 329 G HA3 -0.151 3.809 3.960 0.000 0.000 0.265 329 G C -0.367 174.489 174.900 -0.074 0.000 1.234 329 G CA 0.298 45.377 45.100 -0.035 0.000 0.944 329 G HN 1.128 nan 8.290 nan 0.000 0.568 330 L N -2.375 118.827 121.223 -0.034 0.000 2.622 330 L HA 0.899 5.239 4.340 0.000 0.000 0.258 330 L C -0.749 176.126 176.870 0.008 0.000 0.996 330 L CA -1.172 53.575 54.840 -0.154 0.000 0.858 330 L CB 2.169 44.176 42.059 -0.087 0.000 1.449 330 L HN 2.046 nan 8.230 nan 0.000 0.411 331 Y N -1.128 119.101 120.300 -0.119 0.000 2.677 331 Y HA 0.830 5.380 4.550 0.000 0.000 0.334 331 Y C -1.230 174.719 175.900 0.082 0.000 1.196 331 Y CA -0.351 57.755 58.100 0.010 0.000 1.059 331 Y CB 1.029 39.491 38.460 0.002 0.000 1.315 331 Y HN 0.848 nan 8.280 nan 0.000 0.455 332 T N -0.471 114.356 114.554 0.455 0.000 2.893 332 T HA 0.654 5.004 4.350 0.000 0.000 0.291 332 T C -1.926 173.061 174.700 0.480 0.000 1.028 332 T CA -0.654 61.694 62.100 0.415 0.000 0.995 332 T CB 2.119 71.153 68.868 0.276 0.000 1.051 332 T HN 0.981 nan 8.240 nan 0.000 0.470 333 Y N 0.871 121.363 120.300 0.320 0.000 2.386 333 Y HA 0.588 5.138 4.550 0.000 0.000 0.334 333 Y C -0.999 175.053 175.900 0.252 0.000 1.002 333 Y CA -0.374 57.877 58.100 0.251 0.000 1.068 333 Y CB 2.159 40.773 38.460 0.257 0.000 1.203 333 Y HN 0.948 nan 8.280 nan 0.000 0.443 334 T N 7.505 121.867 114.554 -0.320 0.000 2.876 334 T HA 0.665 5.015 4.350 0.000 0.000 0.289 334 T C -1.479 173.101 174.700 -0.200 0.000 1.014 334 T CA -0.479 61.550 62.100 -0.119 0.000 0.986 334 T CB 1.096 69.923 68.868 -0.069 0.000 1.021 334 T HN 0.544 nan 8.240 nan 0.000 0.458 335 F N -0.248 119.634 119.950 -0.114 0.000 2.686 335 F HA 0.708 5.235 4.527 0.000 0.000 0.311 335 F C -0.991 174.835 175.800 0.043 0.000 1.128 335 F CA -1.200 56.763 58.000 -0.061 0.000 0.946 335 F CB 1.505 40.529 39.000 0.041 0.000 1.336 335 F HN 0.461 nan 8.300 nan 0.000 0.457 336 E N 2.124 122.276 120.200 -0.081 0.000 2.081 336 E HA 0.582 4.932 4.350 0.000 0.000 0.281 336 E C -0.649 175.831 176.600 -0.201 0.000 0.986 336 E CA -0.842 55.443 56.400 -0.192 0.000 0.796 336 E CB 1.308 30.993 29.700 -0.025 0.000 1.085 336 E HN 0.931 nan 8.360 nan 0.000 0.398 337 A N 4.901 127.462 122.820 -0.432 0.000 2.425 337 A HA 0.120 4.440 4.320 0.000 0.000 0.249 337 A C 0.060 177.640 177.584 -0.007 0.000 1.084 337 A CA -0.238 51.703 52.037 -0.160 0.000 0.781 337 A CB 0.452 19.335 19.000 -0.194 0.000 1.019 337 A HN 0.640 nan 8.150 nan 0.000 0.490 338 E N 1.194 121.436 120.200 0.071 0.000 2.249 338 E HA 0.140 4.490 4.350 0.000 0.000 0.280 338 E C -0.043 176.581 176.600 0.041 0.000 1.016 338 E CA -0.481 55.951 56.400 0.054 0.000 0.830 338 E CB 1.228 30.968 29.700 0.067 0.000 1.081 338 E HN 0.623 nan 8.360 nan 0.000 0.395 339 R N 3.025 123.544 120.500 0.031 0.000 2.351 339 R HA 0.017 4.357 4.340 0.000 0.000 0.318 339 R C 0.070 176.386 176.300 0.027 0.000 1.055 339 R CA -0.010 56.106 56.100 0.028 0.000 0.968 339 R CB 0.316 30.632 30.300 0.026 0.000 0.974 339 R HN 0.269 nan 8.270 nan 0.000 0.439 340 K N 3.283 123.698 120.400 0.026 0.000 2.368 340 K HA -0.026 4.294 4.320 0.000 0.000 0.282 340 K C 0.427 177.035 176.600 0.013 0.000 1.035 340 K CA 0.082 56.383 56.287 0.022 0.000 0.973 340 K CB 0.809 33.322 32.500 0.023 0.000 0.957 340 K HN 0.636 nan 8.250 nan 0.000 0.474 341 E N 1.732 121.938 120.200 0.010 0.000 2.208 341 E HA -0.170 4.180 4.350 0.000 0.000 0.193 341 E C 0.462 177.060 176.600 -0.004 0.000 0.988 341 E CA 1.076 57.477 56.400 0.002 0.000 0.828 341 E CB -0.015 29.685 29.700 0.000 0.000 0.763 341 E HN 0.618 nan 8.360 nan 0.000 0.478 342 N N 0.123 118.823 118.700 0.002 0.000 2.346 342 N HA 0.009 4.749 4.740 0.000 0.000 0.225 342 N C -0.470 175.042 175.510 0.002 0.000 1.144 342 N CA -0.194 52.856 53.050 0.001 0.000 0.837 342 N CB -0.029 38.462 38.487 0.007 0.000 1.069 342 N HN -0.061 nan 8.380 nan 0.000 0.487 343 C N 1.433 120.733 119.300 -0.001 0.000 2.627 343 C HA 0.241 4.701 4.460 0.000 0.000 0.404 343 C C -0.755 174.229 174.990 -0.010 0.000 1.340 343 C CA -1.423 57.593 59.018 -0.003 0.000 1.758 343 C CB 0.354 28.093 27.740 -0.001 0.000 2.501 343 C HN 0.431 nan 8.230 nan 0.000 0.588 344 P HA -0.074 nan 4.420 nan 0.000 0.218 344 P C 1.130 178.416 177.300 -0.023 0.000 1.148 344 P CA 1.986 65.078 63.100 -0.014 0.000 0.822 344 P CB 0.182 31.872 31.700 -0.017 0.000 0.784 345 A N -0.913 121.891 122.820 -0.028 0.000 1.887 345 A HA -0.069 4.251 4.320 0.000 0.000 0.210 345 A C 2.187 179.755 177.584 -0.026 0.000 1.221 345 A CA 1.385 53.399 52.037 -0.038 0.000 0.635 345 A CB -1.248 17.721 19.000 -0.051 0.000 0.881 345 A HN 0.394 nan 8.150 nan 0.000 0.456 346 C N -0.225 119.067 119.300 -0.013 0.000 3.070 346 C HA 0.447 4.907 4.460 0.000 0.000 0.280 346 C C 1.520 176.511 174.990 0.001 0.000 1.264 346 C CA -0.060 58.962 59.018 0.008 0.000 1.690 346 C CB -1.573 26.180 27.740 0.020 0.000 2.049 346 C HN 0.536 nan 8.230 nan 0.000 0.636 347 S N 0.467 116.155 115.700 -0.021 0.000 2.596 347 S HA 0.129 4.599 4.470 0.000 0.000 0.260 347 S C 0.652 175.197 174.600 -0.091 0.000 1.336 347 S CA 0.193 58.366 58.200 -0.046 0.000 0.993 347 S CB 0.657 63.835 63.200 -0.037 0.000 0.923 347 S HN 0.683 nan 8.310 nan 0.000 0.567 348 Q N -0.274 119.438 119.800 -0.146 0.000 2.378 348 Q HA 0.335 4.675 4.340 0.000 0.000 0.216 348 Q C -0.359 175.559 176.000 -0.137 0.000 0.892 348 Q CA 0.061 55.732 55.803 -0.220 0.000 0.931 348 Q CB 0.064 28.571 28.738 -0.385 0.000 1.086 348 Q HN 0.744 nan 8.270 nan 0.000 0.528 349 L N 2.537 123.703 121.223 -0.094 0.000 2.307 349 L HA 0.461 4.801 4.340 0.000 0.000 0.282 349 L C -2.104 174.741 176.870 -0.042 0.000 1.051 349 L CA -2.203 52.598 54.840 -0.064 0.000 0.804 349 L CB 0.792 42.819 42.059 -0.053 0.000 1.197 349 L HN -0.012 nan 8.230 nan 0.000 0.431 350 P HA -0.005 nan 4.420 nan 0.000 0.268 350 P C -0.547 176.748 177.300 -0.008 0.000 1.208 350 P CA -0.306 62.784 63.100 -0.016 0.000 0.777 350 P CB 0.454 32.148 31.700 -0.011 0.000 0.875 351 Q N 1.867 121.671 119.800 0.007 0.000 2.474 351 Q HA 0.094 4.434 4.340 0.000 0.000 0.256 351 Q C -0.350 175.657 176.000 0.011 0.000 1.048 351 Q CA 0.753 56.567 55.803 0.020 0.000 0.922 351 Q CB 0.159 28.927 28.738 0.050 0.000 1.288 351 Q HN 0.260 nan 8.270 nan 0.000 0.484 352 N N 2.931 121.632 118.700 0.001 0.000 2.804 352 N HA 0.248 4.989 4.740 0.000 0.000 0.251 352 N C -1.028 174.432 175.510 -0.084 0.000 1.250 352 N CA -0.248 52.782 53.050 -0.033 0.000 0.820 352 N CB 0.212 38.674 38.487 -0.042 0.000 1.156 352 N HN 0.595 nan 8.380 nan 0.000 0.512 353 I N -1.490 119.024 120.570 -0.094 0.000 2.638 353 I HA 0.325 4.495 4.170 0.000 0.000 0.286 353 I C 0.240 176.150 176.117 -0.345 0.000 1.088 353 I CA -0.381 60.750 61.300 -0.282 0.000 1.397 353 I CB 0.958 38.862 38.000 -0.160 0.000 1.414 353 I HN 0.102 nan 8.210 nan 0.000 0.566 354 Q N 4.897 124.329 119.800 -0.614 0.000 2.932 354 Q HA 0.495 4.835 4.340 0.000 0.000 0.248 354 Q C -1.718 173.972 176.000 -0.516 0.000 0.982 354 Q CA -0.279 55.274 55.803 -0.416 0.000 0.730 354 Q CB 0.738 29.300 28.738 -0.293 0.000 1.249 354 Q HN 0.749 nan 8.270 nan 0.000 0.476 362 Q N 0.825 120.587 119.800 -0.062 0.000 2.425 362 Q HA -0.148 4.192 4.340 0.000 0.000 0.213 362 Q C 0.981 176.921 176.000 -0.101 0.000 0.950 362 Q CA 0.919 56.687 55.803 -0.058 0.000 0.979 362 Q CB 0.227 28.942 28.738 -0.039 0.000 0.997 362 Q HN 0.558 nan 8.270 nan 0.000 0.509 363 E N -1.139 118.951 120.200 -0.183 0.000 2.251 363 E HA -0.084 4.266 4.350 0.000 0.000 0.194 363 E C 1.608 177.960 176.600 -0.414 0.000 0.964 363 E CA 0.972 57.157 56.400 -0.359 0.000 0.868 363 E CB 0.328 29.707 29.700 -0.535 0.000 0.828 363 E HN 0.281 nan 8.360 nan 0.000 0.481 364 V N -0.681 119.094 119.914 -0.232 0.000 2.685 364 V HA 0.113 4.233 4.120 0.000 0.000 0.244 364 V C 2.326 178.488 176.094 0.114 0.000 1.054 364 V CA 0.983 63.304 62.300 0.034 0.000 1.076 364 V CB -0.678 31.207 31.823 0.103 0.000 0.725 364 V HN 0.282 nan 8.190 nan 0.000 0.467 365 L N 0.550 121.792 121.223 0.032 0.000 2.131 365 L HA -0.138 4.202 4.340 0.000 0.000 0.210 365 L C 2.071 178.957 176.870 0.026 0.000 1.092 365 L CA 2.347 57.204 54.840 0.028 0.000 0.759 365 L CB -0.348 41.715 42.059 0.007 0.000 0.903 365 L HN 0.320 nan 8.230 nan 0.000 0.435 366 D N -1.536 118.879 120.400 0.025 0.000 2.183 366 D HA -0.183 4.458 4.640 0.000 0.000 0.205 366 D C 1.738 178.087 176.300 0.082 0.000 0.962 366 D CA 1.046 55.066 54.000 0.033 0.000 0.849 366 D CB -0.127 40.681 40.800 0.014 0.000 0.978 366 D HN 0.441 nan 8.370 nan 0.000 0.488 367 Y N 1.157 121.465 120.300 0.013 0.000 2.200 367 Y HA -0.052 4.498 4.550 0.000 0.000 0.290 367 Y C 1.594 177.550 175.900 0.094 0.000 1.137 367 Y CA 1.281 59.443 58.100 0.103 0.000 1.163 367 Y CB -0.329 38.283 38.460 0.254 0.000 0.988 367 Y HN -0.064 nan 8.280 nan 0.000 0.518 368 L N -0.744 120.401 121.223 -0.131 0.000 2.465 368 L HA -0.091 4.249 4.340 0.000 0.000 0.224 368 L C 1.795 178.583 176.870 -0.137 0.000 1.145 368 L CA 1.219 55.934 54.840 -0.209 0.000 0.834 368 L CB -0.415 41.623 42.059 -0.035 0.000 0.944 368 L HN 0.246 nan 8.230 nan 0.000 0.451 369 T N -1.655 112.851 114.554 -0.080 0.000 3.111 369 T HA 0.060 4.410 4.350 0.000 0.000 0.236 369 T C 1.481 176.157 174.700 -0.041 0.000 0.984 369 T CA 0.197 62.270 62.100 -0.045 0.000 1.195 369 T CB 0.101 68.960 68.868 -0.014 0.000 0.929 369 T HN 0.180 nan 8.240 nan 0.000 0.431 370 N N 1.809 120.496 118.700 -0.021 0.000 2.521 370 N HA 0.110 4.850 4.740 0.000 0.000 0.188 370 N C 0.869 176.375 175.510 -0.006 0.000 1.146 370 N CA 0.090 53.139 53.050 -0.001 0.000 0.893 370 N CB 0.016 38.519 38.487 0.026 0.000 0.975 370 N HN 0.241 nan 8.380 nan 0.000 0.451 371 S N -0.378 115.285 115.700 -0.061 0.000 2.626 371 S HA 0.464 4.934 4.470 0.000 0.000 0.257 371 S C 1.118 175.691 174.600 -0.045 0.000 1.288 371 S CA 0.031 58.191 58.200 -0.066 0.000 0.980 371 S CB 1.141 64.195 63.200 -0.244 0.000 0.975 371 S HN 0.261 nan 8.310 nan 0.000 0.577 372 A N 0.595 123.400 122.820 -0.024 0.000 2.070 372 A HA 0.257 4.577 4.320 0.000 0.000 0.202 372 A C 2.143 179.718 177.584 -0.014 0.000 1.277 372 A CA 0.853 52.884 52.037 -0.009 0.000 0.872 372 A CB -0.998 18.008 19.000 0.010 0.000 0.933 372 A HN 0.764 nan 8.150 nan 0.000 0.475 373 S N -0.539 115.147 115.700 -0.023 0.000 2.428 373 S HA 0.137 4.607 4.470 0.000 0.000 0.230 373 S C 0.484 175.055 174.600 -0.047 0.000 1.014 373 S CA 0.600 58.788 58.200 -0.020 0.000 0.957 373 S CB -0.258 62.940 63.200 -0.004 0.000 0.784 373 S HN 0.345 nan 8.310 nan 0.000 0.499 374 L N 2.014 123.179 121.223 -0.097 0.000 2.470 374 L HA 0.424 4.764 4.340 0.000 0.000 0.253 374 L C -0.234 176.576 176.870 -0.099 0.000 1.163 374 L CA -0.211 54.562 54.840 -0.112 0.000 0.932 374 L CB 1.421 43.364 42.059 -0.195 0.000 1.213 374 L HN 0.054 nan 8.230 nan 0.000 0.485 375 Q N 2.594 122.363 119.800 -0.052 0.000 2.642 375 Q HA 0.283 4.623 4.340 0.000 0.000 0.319 375 Q C 0.029 176.012 176.000 -0.028 0.000 1.030 375 Q CA -0.130 55.652 55.803 -0.035 0.000 0.943 375 Q CB 0.170 28.903 28.738 -0.009 0.000 1.323 375 Q HN 0.603 nan 8.270 nan 0.000 0.419 376 M N 0.862 120.437 119.600 -0.042 0.000 2.250 376 M HA 0.010 4.490 4.480 0.000 0.000 0.337 376 M C 0.226 176.519 176.300 -0.012 0.000 1.161 376 M CA 0.931 56.217 55.300 -0.024 0.000 1.088 376 M CB 0.318 32.901 32.600 -0.030 0.000 1.639 376 M HN -0.035 nan 8.290 nan 0.000 0.447 377 K N 2.275 122.677 120.400 0.003 0.000 2.389 377 K HA 0.213 4.533 4.320 0.000 0.000 0.261 377 K C -0.376 176.230 176.600 0.010 0.000 1.014 377 K CA -0.061 56.230 56.287 0.006 0.000 0.920 377 K CB 0.779 33.286 32.500 0.011 0.000 1.149 377 K HN 0.833 nan 8.250 nan 0.000 0.444 378 S N 2.360 118.064 115.700 0.007 0.000 3.727 378 S HA -0.061 4.409 4.470 0.000 0.000 0.444 378 S C -2.724 171.884 174.600 0.014 0.000 0.867 378 S CA -0.506 57.700 58.200 0.010 0.000 1.324 378 S CB -1.684 61.523 63.200 0.011 0.000 0.890 378 S HN 0.500 nan 8.310 nan 0.000 0.599 379 P HA 0.604 nan 4.420 nan 0.000 0.279 379 P C -0.394 176.917 177.300 0.019 0.000 1.239 379 P CA 0.153 63.262 63.100 0.016 0.000 0.789 379 P CB 1.057 32.765 31.700 0.012 0.000 0.933 380 A N 3.819 126.653 122.820 0.023 0.000 2.277 380 A HA 0.523 4.843 4.320 0.000 0.000 0.318 380 A C -0.481 177.119 177.584 0.026 0.000 1.339 380 A CA -0.460 51.591 52.037 0.022 0.000 0.875 380 A CB -0.451 18.563 19.000 0.023 0.000 1.158 380 A HN 0.394 nan 8.150 nan 0.000 0.514 381 I N 2.025 122.611 120.570 0.027 0.000 2.365 381 I HA 0.411 4.581 4.170 0.000 0.000 0.291 381 I C 0.383 176.516 176.117 0.027 0.000 1.004 381 I CA 0.559 61.879 61.300 0.032 0.000 1.311 381 I CB 1.826 39.850 38.000 0.039 0.000 1.401 381 I HN 0.492 nan 8.210 nan 0.000 0.491 382 T N 5.340 119.911 114.554 0.028 0.000 2.879 382 T HA 0.695 5.045 4.350 0.000 0.000 0.290 382 T C -0.063 174.652 174.700 0.024 0.000 0.993 382 T CA -0.642 61.472 62.100 0.023 0.000 0.975 382 T CB 1.494 70.374 68.868 0.021 0.000 0.981 382 T HN 0.706 nan 8.240 nan 0.000 0.439 383 A N 3.177 126.011 122.820 0.022 0.000 2.406 383 A HA 0.578 4.898 4.320 0.000 0.000 0.243 383 A C 1.037 178.632 177.584 0.019 0.000 1.082 383 A CA -0.207 51.843 52.037 0.022 0.000 0.786 383 A CB -0.359 18.652 19.000 0.019 0.000 1.029 383 A HN 0.873 nan 8.150 nan 0.000 0.495 602 R N -0.294 120.213 120.500 0.012 0.000 3.262 602 R HA 0.878 5.218 4.340 0.000 0.000 0.270 602 R C 0.184 176.491 176.300 0.013 0.000 1.147 602 R CA 0.235 56.342 56.100 0.011 0.000 1.189 602 R CB -0.949 29.357 30.300 0.010 0.000 1.271 602 R HN 1.735 nan 8.270 nan 0.000 0.447 603 T N 1.187 115.748 114.554 0.012 0.000 2.792 603 T HA 0.605 4.955 4.350 0.000 0.000 0.286 603 T C 1.774 176.482 174.700 0.012 0.000 0.970 603 T CA 0.957 63.065 62.100 0.013 0.000 1.187 603 T CB 0.017 68.893 68.868 0.012 0.000 0.915 603 T HN 1.967 nan 8.240 nan 0.000 0.529 604 L N 1.986 123.218 121.223 0.014 0.000 2.200 604 L HA 0.646 4.987 4.340 0.000 0.000 0.200 604 L C 1.335 178.212 176.870 0.011 0.000 1.072 604 L CA 1.621 56.468 54.840 0.013 0.000 0.787 604 L CB -1.240 40.829 42.059 0.016 0.000 0.957 604 L HN 1.401 nan 8.230 nan 0.000 0.459 605 Y N -2.810 117.498 120.300 0.013 0.000 2.562 605 Y HA 0.896 5.446 4.550 0.000 0.000 0.345 605 Y C -0.397 175.511 175.900 0.013 0.000 1.045 605 Y CA -0.875 57.232 58.100 0.011 0.000 1.028 605 Y CB 0.480 38.946 38.460 0.010 0.000 1.297 605 Y HN 1.633 nan 8.280 nan 0.000 0.463 606 L N -0.672 120.557 121.223 0.011 0.000 2.503 606 L HA 1.092 5.432 4.340 0.000 0.000 0.248 606 L C -0.116 176.761 176.870 0.011 0.000 1.126 606 L CA -0.565 54.282 54.840 0.013 0.000 0.929 606 L CB 0.977 43.043 42.059 0.012 0.000 1.544 606 L HN 2.540 nan 8.230 nan 0.000 0.404 607 Q N -0.352 119.454 119.800 0.011 0.000 3.671 607 Q HA 0.821 5.161 4.340 0.000 0.000 0.165 607 Q C -0.562 175.443 176.000 0.009 0.000 0.812 607 Q CA 0.848 56.657 55.803 0.009 0.000 1.026 607 Q CB -0.120 28.623 28.738 0.009 0.000 1.549 607 Q HN 3.011 nan 8.270 nan 0.000 0.526 702 T N -0.775 113.780 114.554 0.001 0.000 3.007 702 T HA 0.265 4.615 4.350 0.000 0.000 0.270 702 T C 1.904 176.605 174.700 0.002 0.000 1.107 702 T CA 3.203 65.304 62.100 0.002 0.000 1.118 702 T CB -0.261 68.608 68.868 0.001 0.000 0.889 702 T HN 1.544 nan 8.240 nan 0.000 0.506 703 S N 0.374 116.075 115.700 0.002 0.000 2.439 703 S HA 0.416 4.886 4.470 0.000 0.000 0.224 703 S C 2.470 177.072 174.600 0.003 0.000 1.029 703 S CA 1.248 59.450 58.200 0.002 0.000 0.946 703 S CB -0.771 62.430 63.200 0.002 0.000 0.797 703 S HN 0.779 nan 8.310 nan 0.000 0.504 704 I N 1.358 121.930 120.570 0.003 0.000 2.179 704 I HA 0.162 4.332 4.170 0.000 0.000 0.242 704 I C 2.570 178.689 176.117 0.004 0.000 1.088 704 I CA 2.390 63.692 61.300 0.004 0.000 1.357 704 I CB -1.897 36.106 38.000 0.005 0.000 1.051 704 I HN 0.627 nan 8.210 nan 0.000 0.409 705 E N 0.482 120.684 120.200 0.004 0.000 2.409 705 E HA 0.079 4.429 4.350 0.000 0.000 0.198 705 E C 1.817 178.419 176.600 0.003 0.000 1.024 705 E CA 2.185 58.587 56.400 0.004 0.000 0.861 705 E CB -0.993 28.709 29.700 0.004 0.000 0.788 705 E HN 1.053 nan 8.360 nan 0.000 0.521 706 E N -0.728 119.474 120.200 0.003 0.000 2.329 706 E HA 0.340 4.690 4.350 0.000 0.000 0.189 706 E C 2.491 179.093 176.600 0.002 0.000 0.997 706 E CA 1.436 57.837 56.400 0.002 0.000 1.062 706 E CB -1.189 28.512 29.700 0.002 0.000 1.260 706 E HN 0.629 nan 8.360 nan 0.000 0.490 707 R N 0.356 120.858 120.500 0.002 0.000 2.136 707 R HA -0.137 4.203 4.340 0.000 0.000 0.242 707 R C 2.826 179.128 176.300 0.002 0.000 1.131 707 R CA 3.709 59.810 56.100 0.002 0.000 0.937 707 R CB -2.231 28.070 30.300 0.002 0.000 0.863 707 R HN 0.912 nan 8.270 nan 0.000 0.435 708 T N -0.762 113.794 114.554 0.003 0.000 3.055 708 T HA 0.208 4.558 4.350 0.000 0.000 0.265 708 T C 2.418 177.119 174.700 0.002 0.000 1.111 708 T CA 2.429 64.531 62.100 0.003 0.000 1.118 708 T CB -0.588 68.283 68.868 0.005 0.000 0.909 708 T HN 0.808 nan 8.240 nan 0.000 0.501 709 R N 1.019 121.520 120.500 0.002 0.000 2.204 709 R HA 0.216 4.556 4.340 0.000 0.000 0.253 709 R C 0.209 176.508 176.300 -0.002 0.000 1.172 709 R CA 1.604 57.705 56.100 0.000 0.000 0.994 709 R CB -2.224 28.077 30.300 0.001 0.000 0.874 709 R HN 0.658 nan 8.270 nan 0.000 0.462 751 S N 2.042 117.734 115.700 -0.014 0.000 2.507 751 S HA 0.644 5.115 4.470 0.000 0.000 0.299 751 S C 1.078 175.669 174.600 -0.015 0.000 1.214 751 S CA 1.397 59.588 58.200 -0.014 0.000 1.137 751 S CB -0.962 62.232 63.200 -0.009 0.000 1.009 751 S HN 2.146 nan 8.310 nan 0.000 0.512 801 L N -2.036 119.195 121.223 0.013 0.000 2.251 801 L HA 1.092 5.432 4.340 0.000 0.000 0.244 801 L C 0.622 177.501 176.870 0.015 0.000 1.095 801 L CA -0.129 54.720 54.840 0.016 0.000 0.910 801 L CB 0.759 42.831 42.059 0.022 0.000 1.516 801 L HN 1.043 nan 8.230 nan 0.000 0.429 802 V N -2.089 117.835 119.914 0.016 0.000 5.945 802 V HA 0.740 4.860 4.120 0.000 0.000 0.105 802 V C 1.136 177.239 176.094 0.014 0.000 1.019 802 V CA 1.785 64.093 62.300 0.013 0.000 1.291 802 V CB 0.124 31.953 31.823 0.010 0.000 2.431 802 V HN 1.447 nan 8.190 nan 0.000 0.328 803 D N -1.514 118.892 120.400 0.010 0.000 3.234 803 D HA 0.308 4.948 4.640 0.000 0.000 0.281 803 D C 1.904 178.207 176.300 0.005 0.000 1.405 803 D CA 1.312 55.316 54.000 0.007 0.000 1.115 803 D CB -0.154 40.647 40.800 0.002 0.000 1.198 803 D HN 1.207 nan 8.370 nan 0.000 0.388 804 G N -0.585 108.217 108.800 0.003 0.000 2.712 804 G HA2 0.347 4.307 3.960 0.000 0.000 0.212 804 G HA3 0.347 4.307 3.960 0.000 0.000 0.212 804 G C 1.272 176.176 174.900 0.006 0.000 1.142 804 G CA 1.422 46.523 45.100 0.001 0.000 0.789 804 G HN 0.963 nan 8.290 nan 0.000 0.535 805 Q N -0.248 119.558 119.800 0.010 0.000 2.658 805 Q HA 0.368 4.708 4.340 0.000 0.000 0.367 805 Q C 0.383 176.393 176.000 0.017 0.000 1.107 805 Q CA 1.238 57.050 55.803 0.014 0.000 1.128 805 Q CB -1.040 27.709 28.738 0.019 0.000 1.099 805 Q HN 0.970 nan 8.270 nan 0.000 0.418 901 A N 0.626 123.466 122.820 0.035 0.000 2.446 901 A HA 1.075 5.395 4.320 0.000 0.000 0.282 901 A C -0.214 177.389 177.584 0.031 0.000 1.102 901 A CA 0.162 52.217 52.037 0.029 0.000 0.737 901 A CB 0.613 19.626 19.000 0.022 0.000 1.212 901 A HN 2.810 nan 8.150 nan 0.000 0.434 902 V N 0.557 120.491 119.914 0.032 0.000 3.134 902 V HA 0.935 5.056 4.120 0.000 0.000 0.313 902 V C 0.447 176.555 176.094 0.023 0.000 1.069 902 V CA -0.479 61.840 62.300 0.031 0.000 1.048 902 V CB 1.533 33.376 31.823 0.034 0.000 1.119 902 V HN 2.091 nan 8.190 nan 0.000 0.461 903 A N 1.782 124.616 122.820 0.024 0.000 2.491 903 A HA 0.781 5.101 4.320 0.000 0.000 0.293 903 A C -0.637 176.967 177.584 0.032 0.000 1.047 903 A CA 0.403 52.457 52.037 0.027 0.000 0.735 903 A CB 0.856 19.875 19.000 0.032 0.000 1.281 903 A HN 2.008 nan 8.150 nan 0.000 0.398 904 D N 0.192 120.615 120.400 0.038 0.000 2.566 904 D HA 0.951 5.591 4.640 0.000 0.000 0.254 904 D C 0.281 176.631 176.300 0.084 0.000 1.090 904 D CA 0.020 54.048 54.000 0.046 0.000 1.034 904 D CB 1.220 42.038 40.800 0.030 0.000 1.434 904 D HN 1.872 nan 8.370 nan 0.000 0.509 1001 T N -0.032 114.568 114.554 0.078 0.000 2.868 1001 T HA 0.845 5.195 4.350 0.000 0.000 0.306 1001 T C -2.095 172.466 174.700 -0.233 0.000 1.224 1001 T CA -0.062 61.930 62.100 -0.181 0.000 1.012 1001 T CB 0.922 69.693 68.868 -0.161 0.000 1.221 1001 T HN 0.100 nan 8.240 nan 0.000 0.499 1002 P HA 0.564 nan 4.420 nan 0.000 0.245 1002 P C 0.560 177.759 177.300 -0.168 0.000 1.206 1002 P CA 2.107 64.994 63.100 -0.355 0.000 0.781 1002 P CB -0.302 30.981 31.700 -0.695 0.000 0.994 1003 Q N -1.734 117.958 119.800 -0.181 0.000 2.221 1003 Q HA 0.642 4.982 4.340 0.000 0.000 0.242 1003 Q C 0.378 176.349 176.000 -0.047 0.000 0.940 1003 Q CA 0.315 56.058 55.803 -0.101 0.000 0.896 1003 Q CB -0.310 28.362 28.738 -0.110 0.000 1.226 1003 Q HN 0.365 nan 8.270 nan 0.000 0.463 1004 T N 0.233 114.772 114.554 -0.026 0.000 2.853 1004 T HA 0.632 4.983 4.350 0.000 0.000 0.317 1004 T C 0.205 174.900 174.700 -0.009 0.000 1.059 1004 T CA 0.084 62.180 62.100 -0.007 0.000 0.954 1004 T CB -0.453 68.417 68.868 0.003 0.000 0.994 1004 T HN 1.739 nan 8.240 nan 0.000 0.479 1005 V N 2.917 122.827 119.914 -0.007 0.000 2.421 1005 V HA 0.657 4.777 4.120 0.000 0.000 0.271 1005 V C 0.782 176.881 176.094 0.008 0.000 1.031 1005 V CA -0.476 61.821 62.300 -0.005 0.000 1.032 1005 V CB -0.552 31.267 31.823 -0.006 0.000 1.009 1005 V HN 1.172 nan 8.190 nan 0.000 0.477 1006 L N 4.481 125.707 121.223 0.005 0.000 2.315 1006 L HA 0.840 5.180 4.340 0.000 0.000 0.283 1006 L C 0.038 176.919 176.870 0.018 0.000 1.089 1006 L CA 0.191 55.038 54.840 0.011 0.000 0.833 1006 L CB -0.323 41.738 42.059 0.003 0.000 1.170 1006 L HN 1.742 nan 8.230 nan 0.000 0.442 1007 F N 1.876 121.846 119.950 0.033 0.000 2.529 1007 F HA 0.953 5.480 4.527 0.000 0.000 0.320 1007 F C 0.045 175.870 175.800 0.042 0.000 1.118 1007 F CA -0.778 57.249 58.000 0.046 0.000 0.915 1007 F CB 0.414 39.465 39.000 0.084 0.000 1.161 1007 F HN 1.146 nan 8.300 nan 0.000 0.445 1008 K N 0.000 120.415 120.400 0.025 0.000 2.780 1008 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1008 K CA 0.000 56.296 56.287 0.015 0.000 0.838 1008 K CB 0.000 32.502 32.500 0.002 0.000 1.064 1008 K HN 0.000 nan 8.250 nan 0.000 0.543