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 1yzp_1_A DATA FIRST_RESID 1 DATA SEQUENCE AVcPDGTRVS HAAccAFIPL AQDLQETIFQ NEcGEDAHEV IRLTFHDAIA DATA SEQUENCE ISRSQGPKAG GGADGSMLLF PTVEPNFSAN NGIDDSVNNL IPFMQKHNTI DATA SEQUENCE SAADLVQFAG AVALSNcPGA PRLEFLAGRP NKTIAAVDGL IPEPQDSVTK DATA SEQUENCE ILQRFEDAGG FTPFEVVSLL ASHSVARADK VDQTIDAAPF DSTPFTFDTQ DATA SEQUENCE VFLEVLLKGV GFPGSANNTG EVASPLPLGS GSDTGEMRLQ SDFALAHDPR DATA SEQUENCE TAcIWQGFVN EQAFMAASFR AAMSKLAVLG HNRNSLIDcS DVVPVPKPAT DATA SEQUENCE GQPAMFPAST GPQDLELScP SERFPTLTTQ PGASQSLIAH cPDGSMScPG DATA SEQUENCE VQFNGPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.592 177.584 0.013 0.000 1.274 1 A CA 0.000 52.041 52.037 0.007 0.000 0.836 1 A CB 0.000 19.016 19.000 0.027 0.000 0.831 2 V N 0.969 120.893 119.914 0.017 0.000 2.357 2 V HA 0.377 4.497 4.120 0.001 0.000 0.284 2 V C 0.346 176.455 176.094 0.025 0.000 1.018 2 V CA -0.673 61.639 62.300 0.019 0.000 0.841 2 V CB 0.656 32.487 31.823 0.014 0.000 0.991 2 V HN 1.041 nan 8.190 nan 0.000 0.437 3 c N 6.517 125.135 118.600 0.031 0.000 2.580 3 c HA 0.236 4.806 4.570 0.001 0.000 0.371 3 c C -0.361 173.745 174.090 0.027 0.000 1.308 3 c CA -0.731 55.619 56.329 0.034 0.000 2.428 3 c CB 0.530 43.068 42.510 0.046 0.000 2.529 3 c HN 0.695 nan 8.230 nan 0.000 0.657 4 P HA -0.113 nan 4.420 nan 0.000 0.221 4 P C 0.858 178.170 177.300 0.021 0.000 1.145 4 P CA 1.411 64.523 63.100 0.019 0.000 0.795 4 P CB -0.113 31.597 31.700 0.016 0.000 0.775 5 D N -1.638 118.778 120.400 0.027 0.000 2.349 5 D HA 0.048 4.688 4.640 0.001 0.000 0.224 5 D C 1.436 177.751 176.300 0.025 0.000 1.029 5 D CA 0.720 54.736 54.000 0.027 0.000 0.879 5 D CB -0.743 40.078 40.800 0.035 0.000 0.906 5 D HN 0.233 nan 8.370 nan 0.000 0.528 6 G N -0.362 108.453 108.800 0.024 0.000 2.194 6 G HA2 -0.245 3.715 3.960 0.001 0.000 0.236 6 G HA3 -0.245 3.715 3.960 0.001 0.000 0.236 6 G C 0.383 175.298 174.900 0.024 0.000 0.987 6 G CA 0.235 45.348 45.100 0.021 0.000 0.635 6 G HN 0.449 nan 8.290 nan 0.000 0.520 7 T N 1.216 115.788 114.554 0.031 0.000 2.870 7 T HA 0.432 4.782 4.350 0.001 0.000 0.300 7 T C 0.578 175.296 174.700 0.031 0.000 0.989 7 T CA 0.090 62.211 62.100 0.034 0.000 1.139 7 T CB 1.449 70.344 68.868 0.046 0.000 0.920 7 T HN 0.537 nan 8.240 nan 0.000 0.537 8 R N 2.638 123.152 120.500 0.024 0.000 2.265 8 R HA 0.505 4.846 4.340 0.001 0.000 0.314 8 R C -0.333 175.979 176.300 0.019 0.000 1.053 8 R CA -0.467 55.644 56.100 0.017 0.000 0.931 8 R CB 0.231 30.536 30.300 0.009 0.000 1.024 8 R HN 0.573 nan 8.270 nan 0.000 0.457 9 V N 1.163 121.086 119.914 0.016 0.000 3.141 9 V HA 0.418 4.538 4.120 0.001 0.000 0.312 9 V C 1.075 177.148 176.094 -0.034 0.000 1.157 9 V CA -0.107 62.203 62.300 0.016 0.000 1.041 9 V CB 1.687 33.543 31.823 0.056 0.000 1.071 9 V HN 0.929 nan 8.190 nan 0.000 0.441 10 S N 0.098 115.755 115.700 -0.073 0.000 2.359 10 S HA -0.123 4.347 4.470 0.001 0.000 0.223 10 S C 0.706 175.008 174.600 -0.497 0.000 1.039 10 S CA 1.533 59.567 58.200 -0.277 0.000 1.042 10 S CB -0.887 62.191 63.200 -0.203 0.000 0.915 10 S HN 0.980 nan 8.310 nan 0.000 0.439 11 H N -1.241 117.844 119.070 0.026 0.000 2.894 11 H HA 0.608 5.164 4.556 0.001 0.000 0.367 11 H C 0.919 176.271 175.328 0.039 0.000 1.144 11 H CA -0.350 55.713 56.048 0.025 0.000 1.180 11 H CB 1.766 31.538 29.762 0.017 0.000 1.758 11 H HN 0.288 nan 8.280 nan 0.000 0.541 12 A N 1.871 124.780 122.820 0.149 0.000 1.978 12 A HA -0.118 4.202 4.320 0.001 0.000 0.220 12 A C 2.185 179.838 177.584 0.116 0.000 1.170 12 A CA 1.843 53.942 52.037 0.103 0.000 0.636 12 A CB -0.605 18.437 19.000 0.070 0.000 0.810 12 A HN 0.757 nan 8.150 nan 0.000 0.448 13 A N -1.379 121.521 122.820 0.133 0.000 2.172 13 A HA -0.055 4.266 4.320 0.001 0.000 0.216 13 A C 1.944 179.658 177.584 0.215 0.000 1.154 13 A CA 1.362 53.475 52.037 0.126 0.000 0.701 13 A CB -1.014 18.037 19.000 0.085 0.000 0.789 13 A HN 0.627 nan 8.150 nan 0.000 0.465 14 c N -1.975 116.764 118.600 0.231 0.000 2.539 14 c HA -0.007 4.563 4.570 0.001 0.000 0.268 14 c C 2.557 176.822 174.090 0.292 0.000 1.395 14 c CA -0.077 56.444 56.329 0.320 0.000 1.757 14 c CB -1.979 40.656 42.510 0.209 0.000 1.851 14 c HN 0.762 nan 8.230 nan 0.000 0.545 15 c N 1.433 120.132 118.600 0.166 0.000 2.401 15 c HA -0.153 4.418 4.570 0.001 0.000 0.276 15 c C 3.093 177.221 174.090 0.063 0.000 1.233 15 c CA 1.634 58.025 56.329 0.104 0.000 1.753 15 c CB -1.386 41.163 42.510 0.066 0.000 2.029 15 c HN 0.721 nan 8.230 nan 0.000 0.478 16 A N -0.605 122.207 122.820 -0.012 0.000 2.067 16 A HA -0.055 4.265 4.320 0.001 0.000 0.219 16 A C 1.700 179.131 177.584 -0.256 0.000 1.158 16 A CA 1.155 53.108 52.037 -0.140 0.000 0.661 16 A CB -0.710 18.147 19.000 -0.238 0.000 0.801 16 A HN 0.578 nan 8.150 nan 0.000 0.452 17 F N -0.110 119.749 119.950 -0.152 0.000 2.502 17 F HA -0.008 4.520 4.527 0.001 0.000 0.298 17 F C 1.909 177.626 175.800 -0.138 0.000 1.111 17 F CA 0.696 58.467 58.000 -0.382 0.000 1.445 17 F CB -0.358 38.133 39.000 -0.849 0.000 1.081 17 F HN 0.160 nan 8.300 nan 0.000 0.558 18 I N 1.051 121.687 120.570 0.109 0.000 2.133 18 I HA -0.194 3.976 4.170 0.001 0.000 0.238 18 I C -0.275 175.910 176.117 0.113 0.000 1.074 18 I CA 1.161 62.541 61.300 0.133 0.000 1.342 18 I CB -1.795 36.270 38.000 0.108 0.000 1.053 18 I HN -0.038 nan 8.210 nan 0.000 0.404 19 P HA -0.156 nan 4.420 nan 0.000 0.222 19 P C 1.820 179.174 177.300 0.090 0.000 1.147 19 P CA 1.151 64.326 63.100 0.125 0.000 0.790 19 P CB 0.000 31.800 31.700 0.166 0.000 0.780 20 L N 0.359 121.543 121.223 -0.065 0.000 2.072 20 L HA 0.033 4.373 4.340 0.001 0.000 0.205 20 L C 2.474 179.325 176.870 -0.031 0.000 1.079 20 L CA 1.949 56.576 54.840 -0.355 0.000 0.752 20 L CB -1.565 40.256 42.059 -0.397 0.000 0.906 20 L HN -0.100 nan 8.230 nan 0.000 0.436 21 A N -0.841 122.106 122.820 0.212 0.000 1.908 21 A HA -0.269 4.051 4.320 0.001 0.000 0.218 21 A C 2.195 179.818 177.584 0.064 0.000 1.181 21 A CA 1.948 54.086 52.037 0.167 0.000 0.627 21 A CB -0.661 18.477 19.000 0.230 0.000 0.818 21 A HN 0.677 nan 8.150 nan 0.000 0.445 22 Q N -1.003 118.847 119.800 0.084 0.000 2.096 22 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 22 Q C 1.809 177.854 176.000 0.076 0.000 0.982 22 Q CA 1.499 57.346 55.803 0.074 0.000 0.850 22 Q CB -0.238 28.551 28.738 0.084 0.000 0.901 22 Q HN 0.664 nan 8.270 nan 0.000 0.422 23 D N 0.543 121.010 120.400 0.111 0.000 2.117 23 D HA -0.095 4.546 4.640 0.001 0.000 0.198 23 D C 1.846 178.251 176.300 0.175 0.000 0.982 23 D CA 0.803 54.933 54.000 0.217 0.000 0.828 23 D CB -0.029 41.016 40.800 0.409 0.000 0.967 23 D HN 0.145 nan 8.370 nan 0.000 0.464 24 L N 0.283 121.451 121.223 -0.091 0.000 2.046 24 L HA -0.187 4.154 4.340 0.001 0.000 0.208 24 L C 2.674 179.309 176.870 -0.391 0.000 1.077 24 L CA 0.978 55.515 54.840 -0.505 0.000 0.747 24 L CB -0.388 41.319 42.059 -0.586 0.000 0.896 24 L HN 0.067 nan 8.230 nan 0.000 0.432 25 Q N 0.068 119.806 119.800 -0.104 0.000 2.046 25 Q HA -0.220 4.120 4.340 0.001 0.000 0.200 25 Q C 2.112 178.114 176.000 0.003 0.000 0.975 25 Q CA 1.617 57.428 55.803 0.013 0.000 0.836 25 Q CB -0.210 28.563 28.738 0.059 0.000 0.896 25 Q HN 0.591 nan 8.270 nan 0.000 0.428 26 E N -0.332 119.882 120.200 0.023 0.000 2.106 26 E HA -0.100 4.250 4.350 0.001 0.000 0.192 26 E C 1.856 178.480 176.600 0.040 0.000 0.984 26 E CA 1.501 57.924 56.400 0.037 0.000 0.806 26 E CB 0.131 29.864 29.700 0.055 0.000 0.750 26 E HN 0.287 nan 8.360 nan 0.000 0.458 27 T N 0.525 115.119 114.554 0.067 0.000 2.953 27 T HA 0.059 4.409 4.350 0.001 0.000 0.247 27 T C 2.015 176.745 174.700 0.050 0.000 1.029 27 T CA 0.949 63.126 62.100 0.129 0.000 1.144 27 T CB 0.120 69.202 68.868 0.356 0.000 0.870 27 T HN 0.263 nan 8.240 nan 0.000 0.446 28 I N -3.155 117.354 120.570 -0.102 0.000 4.312 28 I HA 0.406 4.577 4.170 0.001 0.000 0.324 28 I C 1.421 177.454 176.117 -0.140 0.000 1.298 28 I CA 0.140 61.335 61.300 -0.175 0.000 1.231 28 I CB 0.013 37.868 38.000 -0.242 0.000 1.152 28 I HN 0.093 nan 8.210 nan 0.000 0.421 29 F N 1.192 121.121 119.950 -0.036 0.000 2.559 29 F HA 0.240 4.768 4.527 0.001 0.000 0.286 29 F C 0.629 176.386 175.800 -0.072 0.000 1.108 29 F CA -0.436 57.521 58.000 -0.072 0.000 1.436 29 F CB 0.091 39.036 39.000 -0.091 0.000 1.130 29 F HN -0.038 nan 8.300 nan 0.000 0.584 30 Q N 1.156 121.014 119.800 0.098 0.000 2.434 30 Q HA -0.302 4.038 4.340 0.001 0.000 0.299 30 Q C -0.158 175.861 176.000 0.032 0.000 1.286 30 Q CA 1.011 56.838 55.803 0.040 0.000 0.872 30 Q CB -2.574 26.165 28.738 0.002 0.000 1.193 30 Q HN 0.646 nan 8.270 nan 0.000 0.466 31 N N -1.840 116.899 118.700 0.066 0.000 2.713 31 N HA -0.218 4.522 4.740 0.001 0.000 0.251 31 N C -0.766 174.731 175.510 -0.023 0.000 1.117 31 N CA 1.211 54.275 53.050 0.022 0.000 0.770 31 N CB -0.156 38.334 38.487 0.005 0.000 1.137 31 N HN 0.454 nan 8.380 nan 0.000 0.566 32 E N -0.101 120.079 120.200 -0.033 0.000 2.222 32 E HA 0.257 4.607 4.350 0.001 0.000 0.272 32 E C -0.174 176.350 176.600 -0.127 0.000 0.982 32 E CA -0.588 55.753 56.400 -0.098 0.000 0.842 32 E CB 1.627 31.238 29.700 -0.148 0.000 1.144 32 E HN 0.217 nan 8.360 nan 0.000 0.397 33 c N 3.378 121.911 118.600 -0.112 0.000 2.687 33 c HA 0.446 5.017 4.570 0.001 0.000 0.465 33 c C 0.773 174.767 174.090 -0.160 0.000 1.304 33 c CA -0.264 56.021 56.329 -0.074 0.000 1.620 33 c CB -1.951 40.606 42.510 0.079 0.000 2.212 33 c HN 0.641 nan 8.230 nan 0.000 0.616 34 G N 0.522 109.131 108.800 -0.319 0.000 2.702 34 G HA2 0.300 4.261 3.960 0.001 0.000 0.254 34 G HA3 0.300 4.261 3.960 0.001 0.000 0.254 34 G C 0.581 175.137 174.900 -0.574 0.000 1.380 34 G CA 0.106 44.963 45.100 -0.404 0.000 1.042 34 G HN 0.456 nan 8.290 nan 0.000 0.557 35 E N -0.501 119.523 120.200 -0.294 0.000 2.070 35 E HA -0.180 4.170 4.350 0.001 0.000 0.197 35 E C 1.710 178.281 176.600 -0.049 0.000 1.004 35 E CA 2.256 58.572 56.400 -0.139 0.000 0.805 35 E CB -0.110 29.558 29.700 -0.053 0.000 0.744 35 E HN 0.384 nan 8.360 nan 0.000 0.451 36 D N -0.416 119.986 120.400 0.003 0.000 2.149 36 D HA -0.045 4.596 4.640 0.001 0.000 0.201 36 D C 1.788 178.207 176.300 0.199 0.000 0.972 36 D CA 1.374 55.457 54.000 0.138 0.000 0.835 36 D CB -0.518 40.398 40.800 0.192 0.000 0.966 36 D HN 0.334 nan 8.370 nan 0.000 0.476 37 A N 0.533 123.366 122.820 0.023 0.000 1.865 37 A HA -0.253 4.067 4.320 0.001 0.000 0.217 37 A C 1.879 179.421 177.584 -0.070 0.000 1.191 37 A CA 1.767 53.608 52.037 -0.326 0.000 0.623 37 A CB -1.177 17.548 19.000 -0.459 0.000 0.826 37 A HN 0.406 nan 8.150 nan 0.000 0.444 38 H N -0.764 118.275 119.070 -0.051 0.000 2.319 38 H HA -0.156 4.400 4.556 0.001 0.000 0.297 38 H C 2.205 177.532 175.328 -0.001 0.000 1.097 38 H CA 1.415 57.444 56.048 -0.032 0.000 1.285 38 H CB 0.001 29.738 29.762 -0.042 0.000 1.368 38 H HN 0.619 nan 8.280 nan 0.000 0.495 39 E N 0.255 120.547 120.200 0.154 0.000 2.106 39 E HA -0.120 4.231 4.350 0.001 0.000 0.192 39 E C 2.401 179.064 176.600 0.105 0.000 0.984 39 E CA 0.974 57.437 56.400 0.106 0.000 0.806 39 E CB 0.108 29.866 29.700 0.098 0.000 0.750 39 E HN 0.224 nan 8.360 nan 0.000 0.458 40 V N 1.365 121.358 119.914 0.131 0.000 2.427 40 V HA -0.219 3.901 4.120 0.001 0.000 0.248 40 V C 2.177 178.335 176.094 0.107 0.000 1.051 40 V CA 1.294 63.676 62.300 0.137 0.000 1.048 40 V CB -0.298 31.659 31.823 0.223 0.000 0.666 40 V HN 0.236 nan 8.190 nan 0.000 0.456 41 I N -0.145 120.475 120.570 0.083 0.000 2.226 41 I HA -0.247 3.924 4.170 0.001 0.000 0.245 41 I C 2.688 178.918 176.117 0.189 0.000 1.100 41 I CA 1.711 63.082 61.300 0.117 0.000 1.374 41 I CB -0.412 37.653 38.000 0.108 0.000 1.057 41 I HN 0.209 nan 8.210 nan 0.000 0.413 42 R N 1.039 121.640 120.500 0.168 0.000 2.081 42 R HA -0.205 4.135 4.340 0.001 0.000 0.235 42 R C 2.362 178.769 176.300 0.179 0.000 1.131 42 R CA 1.406 57.632 56.100 0.210 0.000 0.960 42 R CB -0.290 30.064 30.300 0.090 0.000 0.856 42 R HN 0.229 nan 8.270 nan 0.000 0.436 43 L N 1.271 122.552 121.223 0.098 0.000 2.079 43 L HA -0.181 4.160 4.340 0.001 0.000 0.210 43 L C 2.363 179.336 176.870 0.172 0.000 1.081 43 L CA 2.614 57.512 54.840 0.096 0.000 0.752 43 L CB -0.924 41.188 42.059 0.088 0.000 0.896 43 L HN 0.467 nan 8.230 nan 0.000 0.433 44 T N -2.971 111.701 114.554 0.197 0.000 2.759 44 T HA -0.306 4.045 4.350 0.001 0.000 0.269 44 T C 1.901 176.763 174.700 0.270 0.000 1.042 44 T CA 1.777 64.004 62.100 0.212 0.000 1.140 44 T CB -1.195 67.788 68.868 0.192 0.000 0.864 44 T HN 0.464 nan 8.240 nan 0.000 0.455 45 F N 1.383 121.445 119.950 0.188 0.000 2.128 45 F HA -0.005 4.522 4.527 0.001 0.000 0.295 45 F C 2.652 178.580 175.800 0.213 0.000 1.100 45 F CA 1.357 59.474 58.000 0.194 0.000 1.260 45 F CB -0.196 38.948 39.000 0.240 0.000 1.009 45 F HN 0.220 nan 8.300 nan 0.000 0.476 46 H N -1.037 117.888 119.070 -0.242 0.000 2.421 46 H HA -0.172 4.384 4.556 0.001 0.000 0.298 46 H C 1.568 176.794 175.328 -0.170 0.000 1.087 46 H CA 1.183 57.027 56.048 -0.340 0.000 1.330 46 H CB -0.186 29.504 29.762 -0.121 0.000 1.388 46 H HN 0.356 nan 8.280 nan 0.000 0.526 47 D N 0.806 121.257 120.400 0.084 0.000 2.084 47 D HA -0.098 4.542 4.640 0.001 0.000 0.194 47 D C 2.347 178.675 176.300 0.047 0.000 0.990 47 D CA 1.339 55.386 54.000 0.079 0.000 0.826 47 D CB -0.159 40.714 40.800 0.121 0.000 0.971 47 D HN 0.297 nan 8.370 nan 0.000 0.453 48 A N 0.028 122.885 122.820 0.062 0.000 1.898 48 A HA -0.076 4.245 4.320 0.001 0.000 0.216 48 A C 2.255 179.851 177.584 0.020 0.000 1.181 48 A CA 1.022 53.113 52.037 0.090 0.000 0.620 48 A CB -0.670 18.431 19.000 0.168 0.000 0.819 48 A HN 0.346 nan 8.150 nan 0.000 0.442 49 I N -0.275 120.214 120.570 -0.134 0.000 3.291 49 I HA 0.117 4.288 4.170 0.001 0.000 0.279 49 I C 1.411 177.426 176.117 -0.171 0.000 1.294 49 I CA 0.318 61.502 61.300 -0.194 0.000 1.428 49 I CB -0.187 37.504 38.000 -0.516 0.000 1.070 49 I HN 0.211 nan 8.210 nan 0.000 0.478 50 A N 1.864 124.608 122.820 -0.125 0.000 3.037 50 A HA 0.470 4.790 4.320 0.001 0.000 0.272 50 A C 0.100 177.662 177.584 -0.036 0.000 1.723 50 A CA -0.059 51.932 52.037 -0.076 0.000 1.413 50 A CB -0.866 18.115 19.000 -0.033 0.000 1.112 50 A HN 0.367 nan 8.150 nan 0.000 0.606 51 I N 0.298 120.845 120.570 -0.038 0.000 2.842 51 I HA 0.542 4.713 4.170 0.001 0.000 0.297 51 I C -1.025 175.082 176.117 -0.017 0.000 1.380 51 I CA -0.266 61.022 61.300 -0.020 0.000 1.018 51 I CB 2.208 40.205 38.000 -0.005 0.000 1.311 51 I HN 0.239 nan 8.210 nan 0.000 0.439 52 S N 5.683 121.374 115.700 -0.016 0.000 2.677 52 S HA 0.511 4.981 4.470 0.001 0.000 0.283 52 S C 0.518 175.114 174.600 -0.007 0.000 1.159 52 S CA -0.691 57.503 58.200 -0.010 0.000 1.001 52 S CB 1.767 64.956 63.200 -0.018 0.000 1.032 52 S HN 0.823 nan 8.310 nan 0.000 0.487 53 R N 2.034 122.534 120.500 0.001 0.000 2.096 53 R HA -0.063 4.277 4.340 0.001 0.000 0.235 53 R C 2.374 178.672 176.300 -0.003 0.000 1.127 53 R CA 1.919 58.018 56.100 -0.002 0.000 0.968 53 R CB -0.307 29.995 30.300 0.003 0.000 0.861 53 R HN 0.791 nan 8.270 nan 0.000 0.440 54 S N 0.444 116.144 115.700 -0.000 0.000 2.395 54 S HA -0.110 4.361 4.470 0.001 0.000 0.225 54 S C 1.859 176.455 174.600 -0.007 0.000 1.027 54 S CA 0.535 58.734 58.200 -0.001 0.000 0.965 54 S CB -0.013 63.189 63.200 0.003 0.000 0.812 54 S HN 0.317 nan 8.310 nan 0.000 0.482 55 Q N 1.131 120.924 119.800 -0.011 0.000 2.311 55 Q HA 0.359 4.700 4.340 0.001 0.000 0.203 55 Q C 1.098 177.088 176.000 -0.016 0.000 0.954 55 Q CA 0.337 56.131 55.803 -0.016 0.000 0.885 55 Q CB -0.198 28.526 28.738 -0.022 0.000 0.963 55 Q HN 0.755 nan 8.270 nan 0.000 0.471 56 G N 0.549 109.340 108.800 -0.016 0.000 2.712 56 G HA2 -0.179 3.782 3.960 0.001 0.000 0.683 56 G HA3 -0.179 3.782 3.960 0.001 0.000 0.683 56 G C -2.399 172.488 174.900 -0.022 0.000 1.320 56 G CA -0.626 44.463 45.100 -0.018 0.000 0.847 56 G HN -0.054 nan 8.290 nan 0.000 0.553 57 P HA -0.031 nan 4.420 nan 0.000 0.218 57 P C 1.734 179.016 177.300 -0.029 0.000 1.148 57 P CA 1.512 64.595 63.100 -0.028 0.000 0.822 57 P CB 0.019 31.703 31.700 -0.026 0.000 0.784 58 K N -0.585 119.799 120.400 -0.027 0.000 2.362 58 K HA 0.008 4.328 4.320 0.001 0.000 0.200 58 K C 1.922 178.500 176.600 -0.036 0.000 1.046 58 K CA 1.056 57.325 56.287 -0.032 0.000 0.952 58 K CB -0.707 31.777 32.500 -0.027 0.000 0.753 58 K HN 0.035 nan 8.250 nan 0.000 0.466 59 A N -0.147 122.654 122.820 -0.031 0.000 2.072 59 A HA 0.291 4.612 4.320 0.001 0.000 0.216 59 A C 0.797 178.365 177.584 -0.027 0.000 1.156 59 A CA 0.995 53.014 52.037 -0.030 0.000 0.701 59 A CB 0.124 19.106 19.000 -0.030 0.000 0.816 59 A HN 0.285 nan 8.150 nan 0.000 0.458 60 G N -3.453 105.329 108.800 -0.030 0.000 2.386 60 G HA2 0.435 4.396 3.960 0.001 0.000 0.302 60 G HA3 0.435 4.396 3.960 0.001 0.000 0.302 60 G C 0.101 174.984 174.900 -0.028 0.000 1.629 60 G CA 0.003 45.088 45.100 -0.025 0.000 0.917 60 G HN 0.781 nan 8.290 nan 0.000 0.676 61 G N -0.511 108.276 108.800 -0.021 0.000 3.502 61 G HA2 0.624 4.584 3.960 0.001 0.000 0.267 61 G HA3 0.624 4.584 3.960 0.001 0.000 0.267 61 G C 1.261 176.133 174.900 -0.047 0.000 1.090 61 G CA 1.361 46.436 45.100 -0.042 0.000 0.795 61 G HN 2.316 nan 8.290 nan 0.000 0.535 62 G N 0.303 109.098 108.800 -0.009 0.000 2.527 62 G HA2 0.130 4.090 3.960 0.001 0.000 0.268 62 G HA3 0.130 4.090 3.960 0.001 0.000 0.268 62 G C 0.740 175.690 174.900 0.083 0.000 1.175 62 G CA 0.075 45.189 45.100 0.023 0.000 0.962 62 G HN 1.414 nan 8.290 nan 0.000 0.560 63 A N 1.284 124.197 122.820 0.154 0.000 2.981 63 A HA 0.513 4.833 4.320 0.001 0.000 0.280 63 A C 0.911 178.679 177.584 0.308 0.000 1.743 63 A CA 1.288 53.459 52.037 0.223 0.000 1.430 63 A CB -0.572 18.578 19.000 0.250 0.000 1.085 63 A HN 1.275 nan 8.150 nan 0.000 0.597 64 D N 0.143 120.675 120.400 0.219 0.000 2.556 64 D HA 0.204 4.844 4.640 0.001 0.000 0.237 64 D C 0.913 177.324 176.300 0.186 0.000 1.296 64 D CA 0.463 54.598 54.000 0.224 0.000 0.807 64 D CB -0.575 40.316 40.800 0.151 0.000 1.084 64 D HN 0.911 nan 8.370 nan 0.000 0.510 65 G N 1.139 110.041 108.800 0.170 0.000 2.168 65 G HA2 -0.388 3.573 3.960 0.001 0.000 0.257 65 G HA3 -0.388 3.573 3.960 0.001 0.000 0.257 65 G C 1.209 176.202 174.900 0.155 0.000 0.997 65 G CA 1.085 46.275 45.100 0.150 0.000 0.708 65 G HN 0.736 nan 8.290 nan 0.000 0.520 66 S N -0.850 114.959 115.700 0.181 0.000 2.419 66 S HA -0.024 4.447 4.470 0.001 0.000 0.233 66 S C 2.313 177.045 174.600 0.220 0.000 1.016 66 S CA 1.582 59.938 58.200 0.260 0.000 0.974 66 S CB -0.234 63.076 63.200 0.184 0.000 0.786 66 S HN 0.360 nan 8.310 nan 0.000 0.492 67 M N 1.106 120.786 119.600 0.134 0.000 2.229 67 M HA 0.111 4.592 4.480 0.001 0.000 0.264 67 M C 2.104 178.453 176.300 0.082 0.000 1.063 67 M CA 1.095 56.451 55.300 0.092 0.000 1.114 67 M CB -1.067 31.580 32.600 0.078 0.000 1.387 67 M HN 0.405 nan 8.290 nan 0.000 0.420 68 L N -0.854 120.418 121.223 0.080 0.000 2.162 68 L HA -0.079 4.261 4.340 0.001 0.000 0.205 68 L C 2.258 179.121 176.870 -0.013 0.000 1.086 68 L CA 0.667 55.534 54.840 0.045 0.000 0.778 68 L CB -0.595 41.497 42.059 0.055 0.000 0.928 68 L HN 0.245 nan 8.230 nan 0.000 0.446 69 L N -1.108 120.096 121.223 -0.032 0.000 2.313 69 L HA -0.052 4.288 4.340 0.001 0.000 0.214 69 L C 0.298 176.836 176.870 -0.553 0.000 1.119 69 L CA 0.938 55.616 54.840 -0.271 0.000 0.809 69 L CB 0.043 41.943 42.059 -0.266 0.000 0.933 69 L HN 0.130 nan 8.230 nan 0.000 0.449 70 F N -0.332 119.618 119.950 0.000 0.000 2.523 70 F HA 0.296 4.824 4.527 0.001 0.000 0.322 70 F C -1.575 174.203 175.800 -0.037 0.000 1.361 70 F CA -1.671 56.319 58.000 -0.016 0.000 1.151 70 F CB 0.379 39.368 39.000 -0.018 0.000 1.391 70 F HN -0.154 nan 8.300 nan 0.000 0.566 71 P HA -0.109 nan 4.420 nan 0.000 0.226 71 P C 1.297 178.603 177.300 0.010 0.000 1.153 71 P CA 1.236 64.351 63.100 0.026 0.000 0.777 71 P CB -0.045 31.660 31.700 0.008 0.000 0.794 72 T N -4.431 110.138 114.554 0.025 0.000 3.086 72 T HA 0.180 4.530 4.350 0.001 0.000 0.250 72 T C 1.380 176.060 174.700 -0.034 0.000 1.074 72 T CA -0.033 62.069 62.100 0.004 0.000 0.988 72 T CB -0.568 68.315 68.868 0.025 0.000 0.988 72 T HN -0.156 nan 8.240 nan 0.000 0.530 73 V N 1.377 121.250 119.914 -0.068 0.000 2.804 73 V HA 0.138 4.258 4.120 0.001 0.000 0.218 73 V C 2.509 178.227 176.094 -0.627 0.000 1.159 73 V CA 0.656 62.837 62.300 -0.198 0.000 1.223 73 V CB -0.545 31.220 31.823 -0.097 0.000 0.917 73 V HN 0.319 nan 8.190 nan 0.000 0.510 74 E N 0.801 120.575 120.200 -0.710 0.000 2.085 74 E HA -0.193 4.157 4.350 0.001 0.000 0.194 74 E C -0.545 175.701 176.600 -0.591 0.000 0.994 74 E CA 1.879 57.653 56.400 -1.044 0.000 0.801 74 E CB -1.175 28.301 29.700 -0.374 0.000 0.743 74 E HN 0.518 nan 8.360 nan 0.000 0.453 75 P HA -0.122 nan 4.420 nan 0.000 0.221 75 P C 0.172 177.420 177.300 -0.087 0.000 1.145 75 P CA 1.253 64.288 63.100 -0.108 0.000 0.795 75 P CB 0.027 31.696 31.700 -0.051 0.000 0.775 76 N N -2.280 116.326 118.700 -0.157 0.000 2.336 76 N HA 0.057 4.797 4.740 0.001 0.000 0.189 76 N C -0.209 175.356 175.510 0.092 0.000 1.113 76 N CA -0.242 52.789 53.050 -0.032 0.000 0.858 76 N CB -0.109 38.367 38.487 -0.018 0.000 0.970 76 N HN -0.011 nan 8.380 nan 0.000 0.471 77 F N 0.917 120.895 119.950 0.046 0.000 2.459 77 F HA 0.057 4.584 4.527 0.001 0.000 0.346 77 F C 2.032 177.861 175.800 0.049 0.000 1.128 77 F CA -1.381 56.642 58.000 0.038 0.000 1.268 77 F CB 0.548 39.566 39.000 0.030 0.000 1.161 77 F HN 0.014 nan 8.300 nan 0.000 0.583 78 S N 1.323 117.168 115.700 0.242 0.000 2.382 78 S HA -0.187 4.283 4.470 0.001 0.000 0.228 78 S C 1.963 176.658 174.600 0.159 0.000 1.027 78 S CA 0.796 59.087 58.200 0.153 0.000 0.991 78 S CB -0.801 62.460 63.200 0.101 0.000 0.823 78 S HN 0.673 nan 8.310 nan 0.000 0.469 79 A N 2.236 125.160 122.820 0.172 0.000 2.121 79 A HA 0.043 4.363 4.320 0.001 0.000 0.218 79 A C 1.741 179.472 177.584 0.246 0.000 1.154 79 A CA 1.085 53.224 52.037 0.169 0.000 0.679 79 A CB -0.487 18.579 19.000 0.110 0.000 0.795 79 A HN 0.553 nan 8.150 nan 0.000 0.458 80 N N 0.685 119.539 118.700 0.256 0.000 2.276 80 N HA 0.002 4.743 4.740 0.001 0.000 0.212 80 N C -0.154 175.443 175.510 0.144 0.000 1.127 80 N CA -0.110 53.091 53.050 0.251 0.000 0.834 80 N CB -0.285 38.319 38.487 0.194 0.000 1.014 80 N HN 0.358 nan 8.380 nan 0.000 0.491 81 N N 0.875 119.658 118.700 0.138 0.000 2.411 81 N HA 0.050 4.790 4.740 0.001 0.000 0.261 81 N C 1.342 176.895 175.510 0.072 0.000 1.248 81 N CA 1.525 54.632 53.050 0.095 0.000 0.885 81 N CB 0.227 38.772 38.487 0.097 0.000 1.062 81 N HN 0.425 nan 8.380 nan 0.000 0.471 82 G N 3.505 112.335 108.800 0.049 0.000 2.234 82 G HA2 -0.227 3.733 3.960 0.001 0.000 0.235 82 G HA3 -0.227 3.733 3.960 0.001 0.000 0.235 82 G C 0.956 175.865 174.900 0.015 0.000 0.997 82 G CA 0.184 45.304 45.100 0.034 0.000 0.623 82 G HN 0.542 nan 8.290 nan 0.000 0.514 83 I N 2.816 123.386 120.570 -0.001 0.000 2.830 83 I HA -0.043 4.127 4.170 0.001 0.000 0.263 83 I C 2.588 178.713 176.117 0.014 0.000 1.230 83 I CA 2.100 63.386 61.300 -0.023 0.000 1.480 83 I CB -0.859 37.115 38.000 -0.043 0.000 1.095 83 I HN 0.500 nan 8.210 nan 0.000 0.455 84 D N 1.108 121.523 120.400 0.024 0.000 2.133 84 D HA -0.263 4.378 4.640 0.001 0.000 0.195 84 D C 1.465 177.794 176.300 0.049 0.000 0.997 84 D CA 1.407 55.427 54.000 0.033 0.000 0.840 84 D CB -0.668 40.151 40.800 0.032 0.000 0.947 84 D HN 0.206 nan 8.370 nan 0.000 0.452 85 D N 0.366 120.797 120.400 0.051 0.000 2.104 85 D HA -0.157 4.484 4.640 0.001 0.000 0.194 85 D C 2.343 178.696 176.300 0.089 0.000 0.994 85 D CA 2.356 56.396 54.000 0.067 0.000 0.830 85 D CB -0.460 40.374 40.800 0.057 0.000 0.959 85 D HN 0.439 nan 8.370 nan 0.000 0.452 86 S N -0.077 115.671 115.700 0.081 0.000 2.368 86 S HA -0.111 4.359 4.470 0.001 0.000 0.224 86 S C 2.279 176.944 174.600 0.108 0.000 1.029 86 S CA 0.896 59.156 58.200 0.101 0.000 0.988 86 S CB -0.722 62.530 63.200 0.087 0.000 0.838 86 S HN 0.097 nan 8.310 nan 0.000 0.462 87 V N 3.446 123.410 119.914 0.084 0.000 2.295 87 V HA -0.173 3.947 4.120 0.001 0.000 0.246 87 V C 2.504 178.656 176.094 0.096 0.000 1.049 87 V CA 2.078 64.427 62.300 0.083 0.000 1.024 87 V CB -1.025 30.832 31.823 0.057 0.000 0.648 87 V HN 0.496 nan 8.190 nan 0.000 0.447 88 N N 0.622 119.382 118.700 0.099 0.000 2.223 88 N HA -0.134 4.607 4.740 0.001 0.000 0.185 88 N C 1.625 177.250 175.510 0.191 0.000 1.016 88 N CA 1.153 54.273 53.050 0.118 0.000 0.863 88 N CB -0.547 38.009 38.487 0.115 0.000 0.983 88 N HN 0.442 nan 8.380 nan 0.000 0.429 89 N N 0.591 119.431 118.700 0.233 0.000 2.270 89 N HA 0.039 4.779 4.740 0.001 0.000 0.181 89 N C 1.636 177.365 175.510 0.364 0.000 1.016 89 N CA 0.375 53.650 53.050 0.376 0.000 0.870 89 N CB -0.052 38.609 38.487 0.289 0.000 0.979 89 N HN 0.285 nan 8.380 nan 0.000 0.431 90 L N -0.082 121.286 121.223 0.242 0.000 2.307 90 L HA 0.151 4.491 4.340 0.001 0.000 0.211 90 L C 1.861 178.878 176.870 0.245 0.000 1.099 90 L CA 0.195 55.194 54.840 0.265 0.000 0.816 90 L CB -0.091 42.051 42.059 0.140 0.000 0.952 90 L HN 0.070 nan 8.230 nan 0.000 0.455 91 I N 0.826 121.471 120.570 0.126 0.000 2.248 91 I HA -0.239 3.932 4.170 0.001 0.000 0.248 91 I C -0.428 175.676 176.117 -0.022 0.000 1.107 91 I CA 1.602 62.930 61.300 0.047 0.000 1.373 91 I CB -1.139 36.867 38.000 0.010 0.000 1.055 91 I HN 0.211 nan 8.210 nan 0.000 0.418 92 P HA -0.142 nan 4.420 nan 0.000 0.218 92 P C 1.459 178.563 177.300 -0.327 0.000 1.149 92 P CA 1.481 64.369 63.100 -0.353 0.000 0.817 92 P CB -0.054 31.194 31.700 -0.754 0.000 0.785 93 F N -1.484 118.421 119.950 -0.074 0.000 2.206 93 F HA -0.028 4.499 4.527 0.001 0.000 0.298 93 F C 2.567 178.408 175.800 0.067 0.000 1.090 93 F CA 1.080 59.113 58.000 0.055 0.000 1.323 93 F CB -0.999 38.019 39.000 0.031 0.000 1.028 93 F HN -0.161 nan 8.300 nan 0.000 0.492 94 M N 0.081 119.793 119.600 0.188 0.000 2.149 94 M HA -0.279 4.202 4.480 0.001 0.000 0.261 94 M C 2.008 178.328 176.300 0.033 0.000 1.064 94 M CA 1.881 57.243 55.300 0.104 0.000 1.102 94 M CB -0.207 32.434 32.600 0.069 0.000 1.369 94 M HN 0.219 nan 8.290 nan 0.000 0.408 95 Q N -0.211 119.576 119.800 -0.023 0.000 2.123 95 Q HA -0.184 4.157 4.340 0.001 0.000 0.199 95 Q C 2.071 178.012 176.000 -0.098 0.000 0.966 95 Q CA 1.592 57.353 55.803 -0.070 0.000 0.845 95 Q CB -0.115 28.560 28.738 -0.105 0.000 0.907 95 Q HN 0.561 nan 8.270 nan 0.000 0.439 96 K N 0.191 120.513 120.400 -0.130 0.000 2.044 96 K HA -0.062 4.259 4.320 0.001 0.000 0.204 96 K C 0.572 177.005 176.600 -0.278 0.000 1.045 96 K CA 0.624 56.773 56.287 -0.229 0.000 0.951 96 K CB 0.239 32.550 32.500 -0.316 0.000 0.738 96 K HN 0.201 nan 8.250 nan 0.000 0.443 97 H N 2.254 121.295 119.070 -0.048 0.000 2.799 97 H HA 0.022 4.578 4.556 0.001 0.000 0.225 97 H C -0.075 175.211 175.328 -0.070 0.000 1.904 97 H CA 0.021 56.038 56.048 -0.051 0.000 1.344 97 H CB -0.186 29.565 29.762 -0.018 0.000 1.744 97 H HN 0.400 nan 8.280 nan 0.000 0.542 98 N N 0.184 118.863 118.700 -0.036 0.000 2.322 98 N HA -0.079 4.662 4.740 0.001 0.000 0.216 98 N C 1.015 176.504 175.510 -0.035 0.000 1.144 98 N CA -0.030 53.001 53.050 -0.032 0.000 0.830 98 N CB -0.076 38.379 38.487 -0.052 0.000 1.034 98 N HN 0.280 nan 8.380 nan 0.000 0.484 99 T N -3.057 111.469 114.554 -0.047 0.000 3.054 99 T HA 0.378 4.728 4.350 0.001 0.000 0.255 99 T C 0.429 175.084 174.700 -0.075 0.000 1.035 99 T CA -0.316 61.751 62.100 -0.056 0.000 0.941 99 T CB -0.088 68.741 68.868 -0.065 0.000 1.026 99 T HN 0.087 nan 8.240 nan 0.000 0.533 100 I N 3.099 123.620 120.570 -0.083 0.000 2.378 100 I HA 0.366 4.536 4.170 0.001 0.000 0.291 100 I C 0.448 176.578 176.117 0.021 0.000 0.992 100 I CA -0.980 60.264 61.300 -0.094 0.000 1.154 100 I CB 2.026 39.852 38.000 -0.291 0.000 1.315 100 I HN 0.242 nan 8.210 nan 0.000 0.448 101 S N 4.645 120.389 115.700 0.073 0.000 2.573 101 S HA 0.192 4.662 4.470 0.001 0.000 0.277 101 S C 1.367 176.036 174.600 0.115 0.000 1.346 101 S CA -0.064 58.188 58.200 0.086 0.000 1.034 101 S CB 1.407 64.664 63.200 0.095 0.000 0.879 101 S HN 0.764 nan 8.310 nan 0.000 0.528 102 A N 2.924 125.803 122.820 0.098 0.000 1.917 102 A HA -0.010 4.310 4.320 0.001 0.000 0.219 102 A C 2.448 180.120 177.584 0.148 0.000 1.182 102 A CA 2.239 54.342 52.037 0.110 0.000 0.633 102 A CB -1.737 17.313 19.000 0.083 0.000 0.819 102 A HN 1.428 nan 8.150 nan 0.000 0.448 103 A N -0.193 122.720 122.820 0.154 0.000 1.877 103 A HA -0.175 4.145 4.320 0.001 0.000 0.216 103 A C 1.800 179.514 177.584 0.216 0.000 1.186 103 A CA 1.947 54.090 52.037 0.178 0.000 0.620 103 A CB -0.672 18.434 19.000 0.176 0.000 0.822 103 A HN 0.459 nan 8.150 nan 0.000 0.443 104 D N -0.428 120.116 120.400 0.240 0.000 2.117 104 D HA -0.134 4.506 4.640 0.001 0.000 0.197 104 D C 1.839 178.427 176.300 0.478 0.000 0.987 104 D CA 1.303 55.550 54.000 0.413 0.000 0.829 104 D CB -0.462 40.640 40.800 0.503 0.000 0.961 104 D HN 0.348 nan 8.370 nan 0.000 0.460 105 L N 0.508 121.929 121.223 0.329 0.000 2.012 105 L HA -0.165 4.175 4.340 0.001 0.000 0.210 105 L C 2.117 179.128 176.870 0.235 0.000 1.073 105 L CA 1.484 56.484 54.840 0.266 0.000 0.748 105 L CB -0.556 41.607 42.059 0.173 0.000 0.891 105 L HN -0.091 nan 8.230 nan 0.000 0.431 106 V N -0.395 119.646 119.914 0.212 0.000 2.307 106 V HA -0.253 3.868 4.120 0.001 0.000 0.245 106 V C 2.717 178.927 176.094 0.192 0.000 1.045 106 V CA 1.718 64.126 62.300 0.179 0.000 1.024 106 V CB -0.656 31.268 31.823 0.169 0.000 0.651 106 V HN 0.522 nan 8.190 nan 0.000 0.449 107 Q N -0.934 119.022 119.800 0.261 0.000 2.050 107 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 107 Q C 2.078 178.200 176.000 0.204 0.000 0.980 107 Q CA 1.899 57.872 55.803 0.283 0.000 0.840 107 Q CB -0.649 28.323 28.738 0.391 0.000 0.898 107 Q HN 0.677 nan 8.270 nan 0.000 0.424 108 F N 1.067 120.985 119.950 -0.054 0.000 2.134 108 F HA -0.176 4.352 4.527 0.001 0.000 0.299 108 F C 2.125 177.803 175.800 -0.204 0.000 1.097 108 F CA 1.241 58.927 58.000 -0.524 0.000 1.264 108 F CB -0.040 38.526 39.000 -0.724 0.000 1.001 108 F HN 0.082 nan 8.300 nan 0.000 0.479 109 A N 0.219 123.006 122.820 -0.056 0.000 1.933 109 A HA -0.089 4.231 4.320 0.001 0.000 0.218 109 A C 2.399 179.946 177.584 -0.062 0.000 1.175 109 A CA 1.656 53.665 52.037 -0.045 0.000 0.628 109 A CB -1.752 17.284 19.000 0.060 0.000 0.814 109 A HN 0.507 nan 8.150 nan 0.000 0.444 110 G N -0.619 108.158 108.800 -0.038 0.000 2.402 110 G HA2 0.047 4.007 3.960 0.001 0.000 0.216 110 G HA3 0.047 4.007 3.960 0.001 0.000 0.216 110 G C 1.728 176.550 174.900 -0.131 0.000 1.162 110 G CA 1.295 46.370 45.100 -0.040 0.000 0.777 110 G HN 0.764 nan 8.290 nan 0.000 0.539 111 A N 0.190 122.898 122.820 -0.187 0.000 1.902 111 A HA 0.076 4.397 4.320 0.001 0.000 0.217 111 A C 2.605 179.988 177.584 -0.335 0.000 1.181 111 A CA 1.815 53.709 52.037 -0.238 0.000 0.623 111 A CB -0.633 18.215 19.000 -0.254 0.000 0.818 111 A HN 0.243 nan 8.150 nan 0.000 0.443 112 V N -0.123 119.509 119.914 -0.470 0.000 2.295 112 V HA -0.250 3.871 4.120 0.001 0.000 0.246 112 V C 3.081 178.965 176.094 -0.350 0.000 1.049 112 V CA 1.970 64.041 62.300 -0.382 0.000 1.024 112 V CB -1.302 30.339 31.823 -0.303 0.000 0.648 112 V HN 0.620 nan 8.190 nan 0.000 0.447 113 A N -0.310 122.190 122.820 -0.532 0.000 1.883 113 A HA -0.211 4.109 4.320 0.001 0.000 0.217 113 A C 2.218 179.541 177.584 -0.436 0.000 1.186 113 A CA 2.033 53.550 52.037 -0.865 0.000 0.624 113 A CB -0.658 17.770 19.000 -0.953 0.000 0.822 113 A HN 0.497 nan 8.150 nan 0.000 0.444 114 L N 0.540 121.589 121.223 -0.289 0.000 2.131 114 L HA -0.178 4.163 4.340 0.001 0.000 0.210 114 L C 2.886 179.618 176.870 -0.231 0.000 1.092 114 L CA 1.479 56.185 54.840 -0.224 0.000 0.759 114 L CB -0.325 41.624 42.059 -0.183 0.000 0.903 114 L HN 0.627 nan 8.230 nan 0.000 0.435 115 S N -0.918 114.652 115.700 -0.216 0.000 2.507 115 S HA -0.098 4.372 4.470 0.001 0.000 0.235 115 S C 1.514 176.033 174.600 -0.135 0.000 0.988 115 S CA 0.883 58.983 58.200 -0.167 0.000 0.944 115 S CB -0.371 62.742 63.200 -0.146 0.000 0.762 115 S HN 0.434 nan 8.310 nan 0.000 0.526 116 N N 0.626 119.234 118.700 -0.152 0.000 2.398 116 N HA 0.157 4.897 4.740 0.001 0.000 0.188 116 N C -0.575 174.893 175.510 -0.069 0.000 1.122 116 N CA 0.127 53.112 53.050 -0.109 0.000 0.866 116 N CB -0.194 38.213 38.487 -0.133 0.000 0.970 116 N HN 0.421 nan 8.380 nan 0.000 0.462 117 c N 2.844 121.404 118.600 -0.068 0.000 2.239 117 c HA 0.367 4.938 4.570 0.001 0.000 0.325 117 c C -2.203 171.895 174.090 0.013 0.000 1.231 117 c CA -1.879 54.457 56.329 0.011 0.000 1.652 117 c CB 0.845 43.391 42.510 0.060 0.000 2.284 117 c HN 0.137 nan 8.230 nan 0.000 0.499 118 P HA 0.222 nan 4.420 nan 0.000 0.261 118 P C 1.006 178.344 177.300 0.064 0.000 1.183 118 P CA 1.772 64.891 63.100 0.032 0.000 0.761 118 P CB 0.286 32.008 31.700 0.036 0.000 0.785 119 G N 1.947 110.768 108.800 0.034 0.000 2.213 119 G HA2 -0.163 3.797 3.960 0.001 0.000 0.236 119 G HA3 -0.163 3.797 3.960 0.001 0.000 0.236 119 G C 0.448 175.358 174.900 0.017 0.000 0.991 119 G CA -0.025 45.115 45.100 0.067 0.000 0.629 119 G HN 0.833 nan 8.290 nan 0.000 0.517 120 A N 1.663 124.384 122.820 -0.164 0.000 2.386 120 A HA 0.684 5.005 4.320 0.001 0.000 0.248 120 A C -1.085 176.318 177.584 -0.301 0.000 1.082 120 A CA -0.201 51.489 52.037 -0.579 0.000 0.789 120 A CB 0.320 18.905 19.000 -0.691 0.000 1.025 120 A HN 0.318 nan 8.150 nan 0.000 0.490 121 P HA 0.249 nan 4.420 nan 0.000 0.278 121 P C -0.805 176.438 177.300 -0.095 0.000 1.258 121 P CA -0.625 62.412 63.100 -0.104 0.000 0.811 121 P CB 0.671 32.361 31.700 -0.017 0.000 1.063 122 R N 1.853 122.326 120.500 -0.046 0.000 2.235 122 R HA 0.316 4.656 4.340 0.001 0.000 0.338 122 R C 0.080 176.375 176.300 -0.009 0.000 1.087 122 R CA -0.516 55.563 56.100 -0.036 0.000 0.948 122 R CB -0.506 29.785 30.300 -0.016 0.000 1.099 122 R HN 0.471 nan 8.270 nan 0.000 0.483 123 L N 2.705 123.920 121.223 -0.012 0.000 2.483 123 L HA 0.061 4.402 4.340 0.001 0.000 0.275 123 L C 0.975 177.879 176.870 0.058 0.000 1.220 123 L CA 0.329 55.179 54.840 0.016 0.000 0.833 123 L CB 0.430 42.500 42.059 0.018 0.000 1.102 123 L HN 0.628 nan 8.230 nan 0.000 0.490 124 E N 1.430 121.662 120.200 0.054 0.000 2.398 124 E HA 0.043 4.393 4.350 0.001 0.000 0.263 124 E C -1.422 175.272 176.600 0.156 0.000 1.046 124 E CA -0.245 56.200 56.400 0.074 0.000 0.908 124 E CB 0.687 30.405 29.700 0.031 0.000 0.963 124 E HN 0.340 nan 8.360 nan 0.000 0.431 125 F N 5.749 125.691 119.950 -0.014 0.000 2.659 125 F HA 0.345 4.872 4.527 0.001 0.000 0.342 125 F C -1.692 174.054 175.800 -0.091 0.000 1.168 125 F CA -0.738 57.246 58.000 -0.027 0.000 1.003 125 F CB 0.593 39.612 39.000 0.031 0.000 1.267 125 F HN 0.309 nan 8.300 nan 0.000 0.463 126 L N 5.494 126.249 121.223 -0.780 0.000 2.360 126 L HA 0.913 5.253 4.340 0.001 0.000 0.271 126 L C 0.056 176.248 176.870 -1.130 0.000 1.057 126 L CA -0.935 53.469 54.840 -0.727 0.000 0.803 126 L CB 1.487 43.320 42.059 -0.378 0.000 1.207 126 L HN 0.733 nan 8.230 nan 0.000 0.445 127 A N 0.412 122.771 122.820 -0.768 0.000 2.435 127 A HA 0.833 5.153 4.320 0.001 0.000 0.296 127 A C 0.456 177.881 177.584 -0.265 0.000 1.147 127 A CA 0.111 51.812 52.037 -0.560 0.000 0.775 127 A CB 1.630 20.389 19.000 -0.402 0.000 1.340 127 A HN 0.971 nan 8.150 nan 0.000 0.427 128 G N -0.472 108.260 108.800 -0.113 0.000 2.168 128 G HA2 -0.147 3.813 3.960 0.001 0.000 0.197 128 G HA3 -0.147 3.813 3.960 0.001 0.000 0.197 128 G C 0.140 174.983 174.900 -0.095 0.000 0.997 128 G CA -0.000 45.053 45.100 -0.079 0.000 0.658 128 G HN 0.824 nan 8.290 nan 0.000 0.513 129 R N 1.048 121.458 120.500 -0.151 0.000 2.537 129 R HA 0.407 4.747 4.340 0.001 0.000 0.280 129 R C -2.183 174.129 176.300 0.019 0.000 1.058 129 R CA -1.252 54.736 56.100 -0.187 0.000 1.057 129 R CB 0.285 30.413 30.300 -0.287 0.000 0.973 129 R HN 0.137 nan 8.270 nan 0.000 0.438 130 P HA -0.038 nan 4.420 nan 0.000 0.270 130 P C -0.207 177.155 177.300 0.103 0.000 1.227 130 P CA 0.026 63.183 63.100 0.096 0.000 0.788 130 P CB 0.525 32.294 31.700 0.115 0.000 0.926 131 N N 0.319 119.066 118.700 0.077 0.000 2.295 131 N HA 0.060 4.800 4.740 0.001 0.000 0.221 131 N C -0.640 174.910 175.510 0.067 0.000 1.129 131 N CA 0.114 53.206 53.050 0.069 0.000 0.836 131 N CB -0.177 38.337 38.487 0.044 0.000 1.040 131 N HN 0.237 nan 8.380 nan 0.000 0.494 132 K N -1.147 119.306 120.400 0.088 0.000 2.426 132 K HA 0.523 4.843 4.320 0.001 0.000 0.251 132 K C -0.746 175.938 176.600 0.140 0.000 0.941 132 K CA -0.804 55.542 56.287 0.099 0.000 0.808 132 K CB 2.345 34.892 32.500 0.080 0.000 1.265 132 K HN -0.091 nan 8.250 nan 0.000 0.432 133 T N 0.482 115.161 114.554 0.208 0.000 2.647 133 T HA 0.585 4.936 4.350 0.001 0.000 0.302 133 T C -1.689 173.168 174.700 0.262 0.000 1.389 133 T CA -0.701 61.521 62.100 0.203 0.000 1.037 133 T CB 0.684 69.665 68.868 0.189 0.000 1.755 133 T HN 0.608 nan 8.240 nan 0.000 0.467 134 I N -0.063 120.549 120.570 0.071 0.000 3.002 134 I HA 0.943 5.113 4.170 0.001 0.000 0.310 134 I C -0.055 175.719 176.117 -0.572 0.000 1.087 134 I CA -1.635 59.491 61.300 -0.290 0.000 1.017 134 I CB 1.793 39.686 38.000 -0.179 0.000 1.226 134 I HN 0.702 nan 8.210 nan 0.000 0.443 135 A N 2.313 124.488 122.820 -1.075 0.000 2.388 135 A HA 0.750 5.071 4.320 0.001 0.000 0.257 135 A C 0.400 177.845 177.584 -0.232 0.000 1.095 135 A CA -0.041 51.605 52.037 -0.652 0.000 0.791 135 A CB 0.219 18.833 19.000 -0.643 0.000 1.029 135 A HN 1.084 nan 8.150 nan 0.000 0.489 136 A N 1.417 124.197 122.820 -0.065 0.000 2.296 136 A HA 0.554 4.874 4.320 0.001 0.000 0.264 136 A C 0.681 178.346 177.584 0.136 0.000 1.097 136 A CA 0.223 52.275 52.037 0.026 0.000 0.811 136 A CB -0.119 18.920 19.000 0.065 0.000 1.072 136 A HN 2.119 nan 8.150 nan 0.000 0.495 137 V N -1.002 118.963 119.914 0.085 0.000 3.036 137 V HA 0.451 4.571 4.120 0.001 0.000 0.308 137 V C 0.228 176.280 176.094 -0.071 0.000 1.070 137 V CA -0.763 61.560 62.300 0.038 0.000 1.056 137 V CB 0.984 32.781 31.823 -0.043 0.000 1.084 137 V HN 0.839 nan 8.190 nan 0.000 0.471 138 D N 0.870 120.970 120.400 -0.500 0.000 2.371 138 D HA 0.479 5.119 4.640 0.001 0.000 0.242 138 D C 1.190 177.275 176.300 -0.359 0.000 1.218 138 D CA 1.248 54.717 54.000 -0.885 0.000 0.945 138 D CB 1.114 41.173 40.800 -1.235 0.000 1.137 138 D HN 1.478 nan 8.370 nan 0.000 0.464 139 G N 0.608 109.248 108.800 -0.267 0.000 2.175 139 G HA2 -0.227 3.733 3.960 0.001 0.000 0.244 139 G HA3 -0.227 3.733 3.960 0.001 0.000 0.244 139 G C 1.110 175.947 174.900 -0.106 0.000 0.982 139 G CA 0.496 45.506 45.100 -0.149 0.000 0.641 139 G HN 0.454 nan 8.290 nan 0.000 0.527 140 L N 0.376 121.538 121.223 -0.102 0.000 2.529 140 L HA 0.333 4.673 4.340 0.001 0.000 0.223 140 L C 0.786 177.556 176.870 -0.167 0.000 1.113 140 L CA 0.044 54.818 54.840 -0.109 0.000 0.861 140 L CB -0.021 41.986 42.059 -0.087 0.000 1.012 140 L HN 0.132 nan 8.230 nan 0.000 0.461 141 I N 1.331 121.803 120.570 -0.164 0.000 2.342 141 I HA 0.289 4.459 4.170 0.001 0.000 0.291 141 I C -2.014 174.018 176.117 -0.141 0.000 1.010 141 I CA -2.652 58.489 61.300 -0.265 0.000 1.308 141 I CB 0.508 38.343 38.000 -0.276 0.000 1.400 141 I HN -0.244 nan 8.210 nan 0.000 0.488 142 P HA 0.177 nan 4.420 nan 0.000 0.268 142 P C -0.547 176.806 177.300 0.089 0.000 1.208 142 P CA -0.026 63.102 63.100 0.047 0.000 0.777 142 P CB 0.800 32.609 31.700 0.182 0.000 0.875 143 E N 2.642 122.901 120.200 0.098 0.000 2.288 143 E HA 0.215 4.565 4.350 0.001 0.000 0.268 143 E C -1.792 174.875 176.600 0.111 0.000 0.885 143 E CA -1.919 54.547 56.400 0.109 0.000 0.767 143 E CB 1.701 31.448 29.700 0.078 0.000 1.220 143 E HN 0.296 nan 8.360 nan 0.000 0.427 144 P HA -0.175 nan 4.420 nan 0.000 0.230 144 P C 0.856 178.195 177.300 0.066 0.000 1.158 144 P CA 1.034 64.186 63.100 0.088 0.000 0.769 144 P CB 0.331 32.077 31.700 0.076 0.000 0.807 145 Q N -0.884 118.954 119.800 0.064 0.000 2.403 145 Q HA 0.045 4.386 4.340 0.001 0.000 0.203 145 Q C -0.258 175.773 176.000 0.052 0.000 0.932 145 Q CA 0.405 56.239 55.803 0.052 0.000 0.945 145 Q CB -0.514 28.250 28.738 0.044 0.000 1.045 145 Q HN 0.157 nan 8.270 nan 0.000 0.511 146 D N 2.820 123.257 120.400 0.060 0.000 2.372 146 D HA 0.082 4.723 4.640 0.001 0.000 0.243 146 D C 0.142 176.477 176.300 0.058 0.000 1.121 146 D CA 0.149 54.184 54.000 0.059 0.000 0.898 146 D CB 1.281 42.123 40.800 0.071 0.000 1.202 146 D HN 0.287 nan 8.370 nan 0.000 0.428 147 S N 0.026 115.757 115.700 0.052 0.000 2.600 147 S HA 0.113 4.584 4.470 0.001 0.000 0.265 147 S C 1.343 175.974 174.600 0.052 0.000 1.325 147 S CA -0.832 57.397 58.200 0.048 0.000 1.002 147 S CB 0.953 64.177 63.200 0.041 0.000 0.921 147 S HN 0.200 nan 8.310 nan 0.000 0.554 148 V N 1.724 121.662 119.914 0.040 0.000 2.343 148 V HA -0.151 3.970 4.120 0.001 0.000 0.247 148 V C 2.805 178.932 176.094 0.056 0.000 1.051 148 V CA 2.436 64.760 62.300 0.039 0.000 1.036 148 V CB -1.595 30.236 31.823 0.013 0.000 0.654 148 V HN 1.050 nan 8.190 nan 0.000 0.451 149 T N -0.480 114.103 114.554 0.048 0.000 2.684 149 T HA -0.282 4.068 4.350 0.001 0.000 0.267 149 T C 1.972 176.714 174.700 0.069 0.000 1.036 149 T CA 2.045 64.177 62.100 0.054 0.000 1.148 149 T CB -0.211 68.682 68.868 0.042 0.000 0.863 149 T HN 0.452 nan 8.240 nan 0.000 0.436 150 K N 0.482 120.922 120.400 0.065 0.000 2.032 150 K HA -0.054 4.266 4.320 0.001 0.000 0.209 150 K C 2.250 178.913 176.600 0.106 0.000 1.048 150 K CA 1.330 57.659 56.287 0.071 0.000 0.927 150 K CB -0.306 32.228 32.500 0.057 0.000 0.712 150 K HN 0.307 nan 8.250 nan 0.000 0.441 151 I N 1.134 121.783 120.570 0.131 0.000 2.179 151 I HA -0.315 3.855 4.170 0.001 0.000 0.242 151 I C 2.241 178.538 176.117 0.300 0.000 1.088 151 I CA 1.184 62.617 61.300 0.221 0.000 1.357 151 I CB -0.228 37.890 38.000 0.198 0.000 1.051 151 I HN 0.196 nan 8.210 nan 0.000 0.409 152 L N -0.004 121.335 121.223 0.193 0.000 2.083 152 L HA -0.236 4.105 4.340 0.001 0.000 0.209 152 L C 2.713 179.712 176.870 0.215 0.000 1.083 152 L CA 1.194 56.148 54.840 0.189 0.000 0.752 152 L CB -0.661 41.464 42.059 0.110 0.000 0.899 152 L HN 0.396 nan 8.230 nan 0.000 0.433 153 Q N 0.560 120.455 119.800 0.159 0.000 2.079 153 Q HA -0.251 4.090 4.340 0.001 0.000 0.200 153 Q C 2.294 178.379 176.000 0.142 0.000 0.974 153 Q CA 1.626 57.506 55.803 0.129 0.000 0.840 153 Q CB -0.008 28.780 28.738 0.084 0.000 0.898 153 Q HN 0.263 nan 8.270 nan 0.000 0.430 154 R N -0.346 120.237 120.500 0.138 0.000 2.083 154 R HA -0.122 4.218 4.340 0.001 0.000 0.237 154 R C 2.130 178.481 176.300 0.086 0.000 1.137 154 R CA 1.720 57.856 56.100 0.061 0.000 0.951 154 R CB -0.820 29.476 30.300 -0.007 0.000 0.851 154 R HN 0.238 nan 8.270 nan 0.000 0.434 155 F N 0.499 120.531 119.950 0.137 0.000 2.234 155 F HA -0.018 4.509 4.527 0.001 0.000 0.299 155 F C 2.386 178.378 175.800 0.321 0.000 1.087 155 F CA 1.689 59.827 58.000 0.230 0.000 1.340 155 F CB -0.208 38.884 39.000 0.153 0.000 1.031 155 F HN 0.265 nan 8.300 nan 0.000 0.500 156 E N 0.234 120.656 120.200 0.370 0.000 2.107 156 E HA -0.250 4.101 4.350 0.001 0.000 0.191 156 E C 1.705 178.401 176.600 0.160 0.000 0.982 156 E CA 1.439 57.985 56.400 0.243 0.000 0.809 156 E CB -0.131 29.668 29.700 0.165 0.000 0.756 156 E HN 0.367 nan 8.360 nan 0.000 0.459 157 D N -0.156 120.324 120.400 0.134 0.000 2.144 157 D HA -0.076 4.565 4.640 0.001 0.000 0.200 157 D C 1.796 178.139 176.300 0.073 0.000 0.978 157 D CA 1.423 55.469 54.000 0.076 0.000 0.833 157 D CB -0.031 40.799 40.800 0.049 0.000 0.961 157 D HN 0.261 nan 8.370 nan 0.000 0.470 158 A N -0.583 122.304 122.820 0.112 0.000 1.897 158 A HA 0.287 4.608 4.320 0.001 0.000 0.215 158 A C 1.914 179.580 177.584 0.137 0.000 1.181 158 A CA 1.448 53.551 52.037 0.110 0.000 0.620 158 A CB -0.231 18.828 19.000 0.097 0.000 0.821 158 A HN 0.360 nan 8.150 nan 0.000 0.443 159 G N -3.260 105.633 108.800 0.155 0.000 5.542 159 G HA2 0.474 4.435 3.960 0.001 0.000 0.207 159 G HA3 0.474 4.435 3.960 0.001 0.000 0.207 159 G C 0.826 175.545 174.900 -0.302 0.000 0.764 159 G CA 0.699 45.737 45.100 -0.104 0.000 0.692 159 G HN 1.576 nan 8.290 nan 0.000 0.330 160 G N -0.106 108.641 108.800 -0.089 0.000 2.148 160 G HA2 -0.300 3.660 3.960 0.001 0.000 0.254 160 G HA3 -0.300 3.660 3.960 0.001 0.000 0.254 160 G C 0.312 175.163 174.900 -0.082 0.000 0.981 160 G CA 0.050 45.097 45.100 -0.088 0.000 0.670 160 G HN 0.535 nan 8.290 nan 0.000 0.528 161 F N 2.097 122.133 119.950 0.145 0.000 2.529 161 F HA 0.429 4.957 4.527 0.001 0.000 0.365 161 F C 1.712 177.578 175.800 0.111 0.000 1.102 161 F CA 0.643 58.729 58.000 0.143 0.000 1.271 161 F CB 0.704 39.834 39.000 0.215 0.000 1.120 161 F HN 0.202 nan 8.300 nan 0.000 0.579 162 T N 0.581 115.296 114.554 0.268 0.000 2.847 162 T HA 0.251 4.602 4.350 0.001 0.000 0.279 162 T C -1.976 172.825 174.700 0.168 0.000 0.984 162 T CA -1.838 60.379 62.100 0.195 0.000 0.988 162 T CB 1.458 70.436 68.868 0.183 0.000 1.040 162 T HN 0.260 nan 8.240 nan 0.000 0.528 163 P HA -0.016 nan 4.420 nan 0.000 0.218 163 P C 1.145 178.499 177.300 0.090 0.000 1.148 163 P CA 0.594 63.741 63.100 0.078 0.000 0.822 163 P CB -0.124 31.630 31.700 0.089 0.000 0.784 164 F N 1.063 121.034 119.950 0.035 0.000 2.134 164 F HA -0.167 4.360 4.527 0.000 0.000 0.299 164 F C 1.951 177.782 175.800 0.052 0.000 1.097 164 F CA 1.633 59.659 58.000 0.043 0.000 1.264 164 F CB -0.475 38.554 39.000 0.048 0.000 1.001 164 F HN -0.092 nan 8.300 nan 0.000 0.479 165 E N -0.337 119.941 120.200 0.130 0.000 2.106 165 E HA -0.168 4.183 4.350 0.001 0.000 0.192 165 E C 2.321 178.803 176.600 -0.195 0.000 0.984 165 E CA 1.387 57.809 56.400 0.036 0.000 0.806 165 E CB -0.285 29.603 29.700 0.313 0.000 0.750 165 E HN 0.297 nan 8.360 nan 0.000 0.458 166 V N 0.826 120.576 119.914 -0.273 0.000 2.261 166 V HA -0.239 3.881 4.120 0.001 0.000 0.246 166 V C 2.303 178.142 176.094 -0.425 0.000 1.047 166 V CA 1.458 63.386 62.300 -0.620 0.000 1.015 166 V CB -0.358 31.049 31.823 -0.694 0.000 0.642 166 V HN 0.145 nan 8.190 nan 0.000 0.446 167 V N -0.301 119.476 119.914 -0.228 0.000 2.515 167 V HA -0.213 3.907 4.120 0.001 0.000 0.250 167 V C 2.538 178.546 176.094 -0.143 0.000 1.058 167 V CA 2.010 64.265 62.300 -0.076 0.000 1.064 167 V CB -0.645 31.223 31.823 0.076 0.000 0.675 167 V HN 0.535 nan 8.190 nan 0.000 0.461 168 S N 0.283 115.799 115.700 -0.306 0.000 2.359 168 S HA -0.165 4.306 4.470 0.001 0.000 0.224 168 S C 1.889 176.391 174.600 -0.163 0.000 1.035 168 S CA 1.606 59.554 58.200 -0.420 0.000 1.018 168 S CB -0.380 62.558 63.200 -0.437 0.000 0.876 168 S HN 0.497 nan 8.310 nan 0.000 0.448 169 L N 0.803 121.917 121.223 -0.183 0.000 2.201 169 L HA 0.007 4.347 4.340 0.001 0.000 0.212 169 L C 1.808 178.655 176.870 -0.039 0.000 1.105 169 L CA 0.731 55.526 54.840 -0.076 0.000 0.775 169 L CB -0.381 41.488 42.059 -0.316 0.000 0.913 169 L HN 0.281 nan 8.230 nan 0.000 0.440 170 L N -0.411 120.680 121.223 -0.220 0.000 2.622 170 L HA -0.046 4.294 4.340 0.001 0.000 0.233 170 L C 2.523 179.172 176.870 -0.368 0.000 1.156 170 L CA 0.105 54.729 54.840 -0.360 0.000 0.866 170 L CB -0.424 41.448 42.059 -0.312 0.000 0.980 170 L HN 0.207 nan 8.230 nan 0.000 0.448 171 A N 0.003 122.683 122.820 -0.233 0.000 2.070 171 A HA -0.199 4.121 4.320 0.001 0.000 0.220 171 A C 2.467 179.655 177.584 -0.660 0.000 1.159 171 A CA 1.648 53.411 52.037 -0.457 0.000 0.656 171 A CB -0.438 18.272 19.000 -0.484 0.000 0.800 171 A HN 0.537 nan 8.150 nan 0.000 0.453 172 S N -0.760 114.736 115.700 -0.340 0.000 2.469 172 S HA -0.199 4.271 4.470 0.001 0.000 0.238 172 S C 1.386 175.965 174.600 -0.035 0.000 0.998 172 S CA 1.212 59.331 58.200 -0.136 0.000 0.957 172 S CB -1.036 62.253 63.200 0.148 0.000 0.764 172 S HN 0.793 nan 8.310 nan 0.000 0.514 173 H N 0.537 119.465 119.070 -0.238 0.000 2.556 173 H HA 0.192 4.748 4.556 0.001 0.000 0.268 173 H C 1.988 177.167 175.328 -0.248 0.000 0.996 173 H CA 0.438 56.423 56.048 -0.105 0.000 1.157 173 H CB 0.099 29.854 29.762 -0.012 0.000 1.355 173 H HN 0.512 nan 8.280 nan 0.000 0.597 174 S N 0.889 116.375 115.700 -0.357 0.000 2.481 174 S HA -0.061 4.410 4.470 0.001 0.000 0.231 174 S C 1.072 175.463 174.600 -0.348 0.000 0.996 174 S CA 0.648 58.586 58.200 -0.437 0.000 0.942 174 S CB 0.028 62.795 63.200 -0.722 0.000 0.768 174 S HN 0.301 nan 8.310 nan 0.000 0.520 175 V N -0.800 118.921 119.914 -0.322 0.000 2.464 175 V HA 0.900 5.020 4.120 0.001 0.000 0.255 175 V C -0.517 175.119 176.094 -0.763 0.000 0.946 175 V CA -0.325 61.761 62.300 -0.357 0.000 0.988 175 V CB -0.045 31.750 31.823 -0.046 0.000 1.210 175 V HN 0.310 nan 8.190 nan 0.000 0.523 176 A N 2.766 125.127 122.820 -0.764 0.000 2.517 176 A HA 0.952 5.273 4.320 0.001 0.000 0.297 176 A C -0.571 176.422 177.584 -0.985 0.000 1.050 176 A CA -0.870 50.681 52.037 -0.811 0.000 0.694 176 A CB 2.050 20.757 19.000 -0.489 0.000 1.277 176 A HN 0.644 nan 8.150 nan 0.000 0.400 177 R N 0.276 120.262 120.500 -0.857 0.000 2.888 177 R HA 0.841 5.181 4.340 0.001 0.000 0.264 177 R C -0.678 175.237 176.300 -0.642 0.000 1.045 177 R CA -0.782 54.843 56.100 -0.792 0.000 0.962 177 R CB 2.456 32.546 30.300 -0.350 0.000 1.210 177 R HN 0.992 nan 8.270 nan 0.000 0.479 178 A N 0.692 123.259 122.820 -0.422 0.000 2.304 178 A HA 0.381 4.702 4.320 0.001 0.000 0.314 178 A C -0.663 176.906 177.584 -0.024 0.000 1.187 178 A CA -0.635 51.331 52.037 -0.118 0.000 0.810 178 A CB 0.754 19.814 19.000 0.100 0.000 1.183 178 A HN 0.740 nan 8.150 nan 0.000 0.487 179 D N 1.027 121.433 120.400 0.010 0.000 2.423 179 D HA 0.052 4.693 4.640 0.001 0.000 0.212 179 D C 1.010 177.338 176.300 0.047 0.000 1.060 179 D CA 0.698 54.717 54.000 0.031 0.000 0.872 179 D CB 0.534 41.355 40.800 0.034 0.000 1.012 179 D HN 0.438 nan 8.370 nan 0.000 0.503 180 K N 0.345 120.782 120.400 0.062 0.000 2.367 180 K HA 0.182 4.502 4.320 0.001 0.000 0.195 180 K C 1.912 178.555 176.600 0.073 0.000 1.060 180 K CA 0.088 56.414 56.287 0.066 0.000 1.022 180 K CB 0.668 33.213 32.500 0.074 0.000 0.894 180 K HN -0.007 nan 8.250 nan 0.000 0.540 181 V N 1.536 121.505 119.914 0.091 0.000 2.358 181 V HA -0.184 3.936 4.120 0.001 0.000 0.246 181 V C 0.642 176.777 176.094 0.068 0.000 1.047 181 V CA 1.563 63.918 62.300 0.093 0.000 1.035 181 V CB -0.386 31.512 31.823 0.127 0.000 0.658 181 V HN 0.306 nan 8.190 nan 0.000 0.452 182 D N -1.462 118.977 120.400 0.065 0.000 2.408 182 D HA 0.220 4.860 4.640 0.001 0.000 0.243 182 D C 0.825 177.147 176.300 0.035 0.000 1.075 182 D CA -0.436 53.590 54.000 0.044 0.000 0.832 182 D CB 1.314 42.144 40.800 0.050 0.000 1.162 182 D HN -0.101 nan 8.370 nan 0.000 0.515 183 Q N 1.810 121.625 119.800 0.024 0.000 2.472 183 Q HA -0.029 4.312 4.340 0.001 0.000 0.208 183 Q C 1.549 177.560 176.000 0.018 0.000 0.958 183 Q CA 0.952 56.769 55.803 0.023 0.000 0.932 183 Q CB 0.084 28.834 28.738 0.020 0.000 1.007 183 Q HN 0.758 nan 8.270 nan 0.000 0.508 184 T N -2.154 112.409 114.554 0.014 0.000 3.043 184 T HA 0.137 4.487 4.350 0.001 0.000 0.263 184 T C 1.255 175.962 174.700 0.012 0.000 1.094 184 T CA 0.040 62.146 62.100 0.010 0.000 1.127 184 T CB -0.160 68.711 68.868 0.005 0.000 0.905 184 T HN 0.274 nan 8.240 nan 0.000 0.490 185 I N -2.011 118.571 120.570 0.020 0.000 2.846 185 I HA 0.771 4.941 4.170 0.001 0.000 0.307 185 I C -1.578 174.553 176.117 0.025 0.000 1.053 185 I CA -1.294 60.018 61.300 0.019 0.000 1.050 185 I CB 2.232 40.249 38.000 0.028 0.000 1.239 185 I HN -0.237 nan 8.210 nan 0.000 0.439 186 D N 2.458 122.871 120.400 0.021 0.000 2.419 186 D HA 0.564 5.204 4.640 0.001 0.000 0.234 186 D C 0.104 176.439 176.300 0.058 0.000 1.014 186 D CA 0.410 54.433 54.000 0.038 0.000 0.919 186 D CB 2.096 42.921 40.800 0.041 0.000 1.366 186 D HN 1.021 nan 8.370 nan 0.000 0.490 187 A N 0.510 123.366 122.820 0.060 0.000 2.739 187 A HA -0.042 4.279 4.320 0.001 0.000 0.296 187 A C 0.381 177.974 177.584 0.016 0.000 1.488 187 A CA 0.801 52.878 52.037 0.066 0.000 0.746 187 A CB -1.951 17.201 19.000 0.253 0.000 1.047 187 A HN 0.677 nan 8.150 nan 0.000 0.477 188 A N 1.070 123.873 122.820 -0.030 0.000 2.350 188 A HA 0.610 4.930 4.320 0.001 0.000 0.293 188 A C -1.422 176.073 177.584 -0.148 0.000 1.231 188 A CA -0.956 51.063 52.037 -0.031 0.000 0.883 188 A CB 0.073 19.093 19.000 0.034 0.000 1.133 188 A HN 0.520 nan 8.150 nan 0.000 0.533 189 P HA 0.153 nan 4.420 nan 0.000 0.275 189 P C -0.041 177.190 177.300 -0.116 0.000 1.228 189 P CA -0.192 62.744 63.100 -0.273 0.000 0.786 189 P CB 0.492 32.063 31.700 -0.216 0.000 0.927 190 F N 0.431 120.265 119.950 -0.192 0.000 2.743 190 F HA 0.067 4.595 4.527 0.000 0.000 0.297 190 F C 1.297 177.012 175.800 -0.142 0.000 1.131 190 F CA 0.359 58.262 58.000 -0.163 0.000 1.426 190 F CB -0.504 38.365 39.000 -0.217 0.000 1.116 190 F HN 0.310 nan 8.300 nan 0.000 0.583 191 D N -2.469 117.920 120.400 -0.017 0.000 2.652 191 D HA 0.144 4.784 4.640 0.001 0.000 0.285 191 D C 0.500 176.747 176.300 -0.089 0.000 1.173 191 D CA -0.254 53.714 54.000 -0.054 0.000 0.981 191 D CB 0.721 41.463 40.800 -0.097 0.000 1.440 191 D HN -0.148 nan 8.370 nan 0.000 0.485 192 S N -1.670 113.990 115.700 -0.067 0.000 2.603 192 S HA 0.110 4.581 4.470 0.001 0.000 0.220 192 S C 0.681 175.228 174.600 -0.089 0.000 0.967 192 S CA 0.526 58.690 58.200 -0.060 0.000 0.920 192 S CB -1.018 62.171 63.200 -0.018 0.000 0.773 192 S HN 0.740 nan 8.310 nan 0.000 0.529 193 T N -1.247 113.228 114.554 -0.131 0.000 3.658 193 T HA 0.398 4.748 4.350 0.001 0.000 0.245 193 T C -2.285 172.277 174.700 -0.230 0.000 1.292 193 T CA -1.180 60.841 62.100 -0.132 0.000 1.598 193 T CB 1.335 70.162 68.868 -0.068 0.000 0.861 193 T HN 0.034 nan 8.240 nan 0.000 0.663 194 P HA 0.107 nan 4.420 nan 0.000 0.242 194 P C 0.178 177.228 177.300 -0.416 0.000 1.197 194 P CA 0.161 62.954 63.100 -0.512 0.000 0.765 194 P CB -0.259 31.039 31.700 -0.669 0.000 0.936 195 F N -0.496 119.485 119.950 0.051 0.000 2.653 195 F HA 0.260 4.787 4.527 0.001 0.000 0.304 195 F C 0.728 176.551 175.800 0.038 0.000 1.092 195 F CA -0.007 58.031 58.000 0.064 0.000 1.279 195 F CB -0.332 38.669 39.000 0.001 0.000 1.044 195 F HN -0.257 nan 8.300 nan 0.000 0.564 196 T N 0.177 114.795 114.554 0.106 0.000 2.879 196 T HA 0.240 4.590 4.350 0.001 0.000 0.290 196 T C -0.900 173.817 174.700 0.029 0.000 0.993 196 T CA -0.368 61.779 62.100 0.078 0.000 0.975 196 T CB 1.243 70.135 68.868 0.040 0.000 0.981 196 T HN -0.048 nan 8.240 nan 0.000 0.439 197 F N 5.593 125.493 119.950 -0.083 0.000 2.626 197 F HA 0.251 4.778 4.527 0.001 0.000 0.353 197 F C 0.316 176.037 175.800 -0.133 0.000 1.230 197 F CA -0.711 57.200 58.000 -0.149 0.000 1.298 197 F CB -0.432 38.459 39.000 -0.181 0.000 1.670 197 F HN 0.574 nan 8.300 nan 0.000 0.633 198 D N -0.766 119.511 120.400 -0.205 0.000 2.650 198 D HA 0.208 4.849 4.640 0.001 0.000 0.255 198 D C 0.817 176.992 176.300 -0.207 0.000 1.135 198 D CA -0.397 53.518 54.000 -0.143 0.000 1.099 198 D CB 0.367 41.123 40.800 -0.073 0.000 1.273 198 D HN 0.074 nan 8.370 nan 0.000 0.628 199 T N -3.067 111.426 114.554 -0.103 0.000 3.188 199 T HA -0.014 4.337 4.350 0.001 0.000 0.250 199 T C 1.098 175.792 174.700 -0.010 0.000 1.077 199 T CA -0.080 62.012 62.100 -0.015 0.000 0.967 199 T CB -0.068 68.795 68.868 -0.009 0.000 1.006 199 T HN 0.177 nan 8.240 nan 0.000 0.552 200 Q N 0.968 120.717 119.800 -0.085 0.000 2.112 200 Q HA -0.080 4.260 4.340 0.001 0.000 0.206 200 Q C 2.409 178.360 176.000 -0.082 0.000 0.987 200 Q CA 1.267 57.025 55.803 -0.074 0.000 0.858 200 Q CB -1.058 27.632 28.738 -0.079 0.000 0.905 200 Q HN 0.528 nan 8.270 nan 0.000 0.420 201 V N 0.374 120.171 119.914 -0.195 0.000 2.392 201 V HA -0.262 3.858 4.120 0.001 0.000 0.249 201 V C 1.919 177.877 176.094 -0.226 0.000 1.059 201 V CA 1.606 63.759 62.300 -0.246 0.000 1.051 201 V CB -0.501 31.063 31.823 -0.432 0.000 0.658 201 V HN 0.232 nan 8.190 nan 0.000 0.455 202 F N -0.789 119.054 119.950 -0.179 0.000 2.134 202 F HA -0.121 4.406 4.527 0.001 0.000 0.299 202 F C 2.092 178.003 175.800 0.184 0.000 1.097 202 F CA 1.839 59.708 58.000 -0.219 0.000 1.264 202 F CB -0.581 38.118 39.000 -0.501 0.000 1.001 202 F HN 0.244 nan 8.300 nan 0.000 0.479 203 L N 0.532 121.888 121.223 0.222 0.000 2.027 203 L HA -0.150 4.190 4.340 0.001 0.000 0.206 203 L C 2.025 179.009 176.870 0.191 0.000 1.074 203 L CA 1.906 56.867 54.840 0.202 0.000 0.745 203 L CB -0.858 41.209 42.059 0.013 0.000 0.898 203 L HN 0.113 nan 8.230 nan 0.000 0.433 204 E N -1.085 119.192 120.200 0.127 0.000 2.208 204 E HA -0.132 4.218 4.350 0.001 0.000 0.193 204 E C 2.103 178.788 176.600 0.142 0.000 0.988 204 E CA 1.069 57.536 56.400 0.111 0.000 0.828 204 E CB -0.030 29.706 29.700 0.059 0.000 0.763 204 E HN 0.383 nan 8.360 nan 0.000 0.478 205 V N 1.197 121.231 119.914 0.201 0.000 2.809 205 V HA -0.162 3.958 4.120 0.001 0.000 0.256 205 V C 1.872 178.050 176.094 0.141 0.000 1.080 205 V CA 1.128 63.527 62.300 0.165 0.000 1.102 205 V CB -0.210 31.727 31.823 0.190 0.000 0.705 205 V HN 0.290 nan 8.190 nan 0.000 0.475 206 L N -0.504 120.830 121.223 0.186 0.000 2.591 206 L HA 0.171 4.512 4.340 0.001 0.000 0.228 206 L C 0.563 177.529 176.870 0.159 0.000 1.133 206 L CA 0.223 55.152 54.840 0.149 0.000 0.880 206 L CB -0.094 42.078 42.059 0.189 0.000 1.033 206 L HN 0.258 nan 8.230 nan 0.000 0.450 207 L N 0.374 121.691 121.223 0.157 0.000 2.375 207 L HA 0.179 4.519 4.340 0.001 0.000 0.271 207 L C 0.715 177.649 176.870 0.106 0.000 1.107 207 L CA -0.286 54.633 54.840 0.132 0.000 0.806 207 L CB 0.609 42.750 42.059 0.137 0.000 1.146 207 L HN 0.006 nan 8.230 nan 0.000 0.447 208 K N 1.732 122.173 120.400 0.068 0.000 2.484 208 K HA 0.111 4.432 4.320 0.001 0.000 0.280 208 K C 0.157 176.749 176.600 -0.014 0.000 1.013 208 K CA -0.188 56.118 56.287 0.032 0.000 1.029 208 K CB 0.644 33.147 32.500 0.005 0.000 0.902 208 K HN 0.779 nan 8.250 nan 0.000 0.481 209 G N 1.789 110.548 108.800 -0.068 0.000 2.483 209 G HA2 0.292 4.252 3.960 0.001 0.000 0.248 209 G HA3 0.292 4.252 3.960 0.001 0.000 0.248 209 G C 0.540 175.350 174.900 -0.149 0.000 1.248 209 G CA -0.380 44.628 45.100 -0.153 0.000 0.838 209 G HN 0.630 nan 8.290 nan 0.000 0.566 210 V N -0.417 119.402 119.914 -0.159 0.000 3.398 210 V HA 0.719 4.839 4.120 0.001 0.000 0.298 210 V C 0.806 176.824 176.094 -0.126 0.000 1.496 210 V CA 0.645 62.877 62.300 -0.112 0.000 1.044 210 V CB -0.202 31.584 31.823 -0.060 0.000 0.880 210 V HN 1.416 nan 8.190 nan 0.000 0.443 211 G N -0.174 108.480 108.800 -0.244 0.000 2.325 211 G HA2 0.536 4.497 3.960 0.001 0.000 0.295 211 G HA3 0.536 4.497 3.960 0.001 0.000 0.295 211 G C -2.099 172.549 174.900 -0.419 0.000 1.274 211 G CA -0.630 44.366 45.100 -0.174 0.000 0.857 211 G HN 0.075 nan 8.290 nan 0.000 0.499 212 F N 0.503 120.445 119.950 -0.014 0.000 2.565 212 F HA 0.549 5.076 4.527 0.001 0.000 0.313 212 F C -1.306 174.493 175.800 -0.001 0.000 1.091 212 F CA -1.698 56.295 58.000 -0.011 0.000 0.915 212 F CB 2.885 41.876 39.000 -0.015 0.000 1.208 212 F HN 0.261 nan 8.300 nan 0.000 0.453 213 P HA 0.055 nan 4.420 nan 0.000 0.221 213 P C 0.550 177.909 177.300 0.098 0.000 1.150 213 P CA 1.126 64.287 63.100 0.102 0.000 0.800 213 P CB 0.651 32.401 31.700 0.083 0.000 0.787 214 G N -0.218 108.655 108.800 0.121 0.000 3.259 214 G HA2 0.346 4.306 3.960 0.001 0.000 0.193 214 G HA3 0.346 4.306 3.960 0.001 0.000 0.193 214 G C -0.479 174.451 174.900 0.050 0.000 1.457 214 G CA 0.099 45.241 45.100 0.070 0.000 0.771 214 G HN 0.260 nan 8.290 nan 0.000 0.765 215 S N -0.262 115.432 115.700 -0.009 0.000 2.693 215 S HA 0.612 5.082 4.470 0.001 0.000 0.276 215 S C 0.743 175.159 174.600 -0.307 0.000 1.192 215 S CA 0.188 58.326 58.200 -0.103 0.000 0.994 215 S CB 1.809 64.952 63.200 -0.096 0.000 1.012 215 S HN 1.178 nan 8.310 nan 0.000 0.550 216 A N 0.484 123.004 122.820 -0.500 0.000 2.308 216 A HA 0.229 4.549 4.320 0.001 0.000 0.217 216 A C 0.621 177.740 177.584 -0.776 0.000 1.216 216 A CA -0.117 51.224 52.037 -1.160 0.000 0.864 216 A CB -0.817 17.684 19.000 -0.833 0.000 0.902 216 A HN 0.855 nan 8.150 nan 0.000 0.499 217 N N -0.191 118.273 118.700 -0.392 0.000 2.598 217 N HA 0.169 4.909 4.740 0.001 0.000 0.309 217 N C -1.152 174.274 175.510 -0.140 0.000 1.645 217 N CA -0.473 52.437 53.050 -0.233 0.000 0.936 217 N CB -0.768 37.626 38.487 -0.154 0.000 1.323 217 N HN 0.292 nan 8.380 nan 0.000 0.497 218 N N -0.456 118.170 118.700 -0.123 0.000 2.456 218 N HA 0.300 5.040 4.740 0.001 0.000 0.288 218 N C -0.683 174.821 175.510 -0.011 0.000 1.059 218 N CA -0.594 52.431 53.050 -0.042 0.000 0.946 218 N CB 1.004 39.487 38.487 -0.006 0.000 1.150 218 N HN 0.058 nan 8.380 nan 0.000 0.479 219 T N 1.020 115.576 114.554 0.003 0.000 2.934 219 T HA 0.238 4.588 4.350 0.001 0.000 0.306 219 T C 1.452 176.173 174.700 0.036 0.000 1.042 219 T CA 0.975 63.086 62.100 0.018 0.000 1.145 219 T CB 0.420 69.302 68.868 0.023 0.000 0.982 219 T HN 0.849 nan 8.240 nan 0.000 0.544 220 G N 2.127 110.949 108.800 0.037 0.000 2.179 220 G HA2 -0.222 3.738 3.960 0.001 0.000 0.260 220 G HA3 -0.222 3.738 3.960 0.001 0.000 0.260 220 G C -0.076 174.848 174.900 0.040 0.000 0.977 220 G CA 0.380 45.507 45.100 0.045 0.000 0.641 220 G HN 0.806 nan 8.290 nan 0.000 0.533 221 E N -0.324 119.906 120.200 0.050 0.000 2.244 221 E HA 0.695 5.045 4.350 0.001 0.000 0.266 221 E C 0.182 176.841 176.600 0.099 0.000 0.914 221 E CA -0.388 56.058 56.400 0.078 0.000 0.794 221 E CB 2.435 32.213 29.700 0.131 0.000 1.210 221 E HN 0.745 nan 8.360 nan 0.000 0.414 222 V N -0.666 119.282 119.914 0.057 0.000 3.167 222 V HA 0.848 4.969 4.120 0.001 0.000 0.310 222 V C -0.183 175.788 176.094 -0.205 0.000 1.207 222 V CA -0.897 61.389 62.300 -0.023 0.000 1.059 222 V CB 0.952 32.578 31.823 -0.327 0.000 1.079 222 V HN 0.851 nan 8.190 nan 0.000 0.446 223 A N 1.015 123.530 122.820 -0.509 0.000 2.520 223 A HA 0.568 4.888 4.320 0.001 0.000 0.235 223 A C 0.495 177.749 177.584 -0.549 0.000 1.065 223 A CA 0.825 52.256 52.037 -1.011 0.000 0.764 223 A CB 0.098 18.642 19.000 -0.760 0.000 1.002 223 A HN 1.648 nan 8.150 nan 0.000 0.502 224 S N 1.641 117.041 115.700 -0.501 0.000 2.549 224 S HA 0.645 5.115 4.470 0.001 0.000 0.297 224 S C -1.702 172.799 174.600 -0.165 0.000 1.115 224 S CA -1.461 56.599 58.200 -0.234 0.000 1.059 224 S CB 1.413 64.517 63.200 -0.159 0.000 1.046 224 S HN 0.529 nan 8.310 nan 0.000 0.506 225 P HA 0.187 nan 4.420 nan 0.000 0.235 225 P C -0.015 177.274 177.300 -0.018 0.000 1.177 225 P CA 0.473 63.552 63.100 -0.034 0.000 0.785 225 P CB 0.071 31.782 31.700 0.018 0.000 0.885 226 L N 1.291 122.503 121.223 -0.018 0.000 2.783 226 L HA 0.324 4.664 4.340 0.001 0.000 0.265 226 L C -1.722 175.144 176.870 -0.005 0.000 1.398 226 L CA -1.334 53.505 54.840 -0.001 0.000 0.802 226 L CB 1.621 43.689 42.059 0.014 0.000 1.126 226 L HN -0.191 nan 8.230 nan 0.000 0.529 227 P HA -0.098 nan 4.420 nan 0.000 0.233 227 P C 0.641 177.951 177.300 0.017 0.000 1.167 227 P CA 0.177 63.274 63.100 -0.004 0.000 0.770 227 P CB 0.501 32.188 31.700 -0.023 0.000 0.837 228 L N 1.057 122.288 121.223 0.014 0.000 2.513 228 L HA 0.447 4.787 4.340 0.001 0.000 0.272 228 L C 0.321 177.204 176.870 0.021 0.000 1.187 228 L CA 0.507 55.358 54.840 0.018 0.000 0.895 228 L CB -0.153 41.915 42.059 0.016 0.000 1.147 228 L HN -0.027 nan 8.230 nan 0.000 0.483 229 G N 2.534 111.347 108.800 0.022 0.000 2.642 229 G HA2 0.649 4.609 3.960 0.001 0.000 0.293 229 G HA3 0.649 4.609 3.960 0.001 0.000 0.293 229 G C -1.678 173.231 174.900 0.014 0.000 1.341 229 G CA -0.454 44.658 45.100 0.020 0.000 0.916 229 G HN 0.701 nan 8.290 nan 0.000 0.474 230 S N -0.948 114.758 115.700 0.010 0.000 2.543 230 S HA 0.650 5.121 4.470 0.001 0.000 0.271 230 S C 0.716 175.312 174.600 -0.007 0.000 1.148 230 S CA 1.044 59.246 58.200 0.004 0.000 0.914 230 S CB 0.863 64.068 63.200 0.009 0.000 1.096 230 S HN 2.570 nan 8.310 nan 0.000 0.471 231 G N 3.627 112.418 108.800 -0.016 0.000 2.629 231 G HA2 -0.330 3.631 3.960 0.001 0.000 0.313 231 G HA3 -0.330 3.631 3.960 0.001 0.000 0.313 231 G C 1.008 175.868 174.900 -0.067 0.000 1.217 231 G CA 1.236 46.316 45.100 -0.033 0.000 0.994 231 G HN 1.956 nan 8.290 nan 0.000 0.549 232 S N 0.121 115.757 115.700 -0.107 0.000 2.556 232 S HA 0.300 4.770 4.470 0.001 0.000 0.216 232 S C 0.319 174.815 174.600 -0.172 0.000 0.970 232 S CA 0.983 59.037 58.200 -0.243 0.000 0.912 232 S CB 0.446 63.378 63.200 -0.448 0.000 0.790 232 S HN 0.448 nan 8.310 nan 0.000 0.504 233 D N 3.663 124.049 120.400 -0.023 0.000 2.551 233 D HA 0.213 4.853 4.640 0.001 0.000 0.223 233 D C -0.261 176.063 176.300 0.040 0.000 1.144 233 D CA 0.309 54.344 54.000 0.059 0.000 1.025 233 D CB 0.249 41.087 40.800 0.063 0.000 1.085 233 D HN 0.237 nan 8.370 nan 0.000 0.506 234 T N 0.393 114.975 114.554 0.047 0.000 2.930 234 T HA 0.339 4.689 4.350 0.001 0.000 0.306 234 T C 1.169 175.888 174.700 0.032 0.000 1.045 234 T CA -0.418 61.702 62.100 0.033 0.000 1.134 234 T CB 1.111 70.003 68.868 0.039 0.000 0.961 234 T HN 0.300 nan 8.240 nan 0.000 0.545 235 G N 1.291 110.109 108.800 0.030 0.000 2.636 235 G HA2 0.249 4.209 3.960 0.001 0.000 0.246 235 G HA3 0.249 4.209 3.960 0.001 0.000 0.246 235 G C -0.147 174.768 174.900 0.026 0.000 1.216 235 G CA -0.591 44.525 45.100 0.026 0.000 0.854 235 G HN 0.826 nan 8.290 nan 0.000 0.572 236 E N -0.180 120.032 120.200 0.020 0.000 2.414 236 E HA 0.205 4.555 4.350 0.001 0.000 0.263 236 E C 0.207 176.841 176.600 0.057 0.000 1.000 236 E CA -0.129 56.289 56.400 0.031 0.000 0.914 236 E CB 0.416 30.129 29.700 0.021 0.000 0.948 236 E HN 0.401 nan 8.360 nan 0.000 0.444 237 M N 4.494 124.169 119.600 0.125 0.000 2.472 237 M HA 0.348 4.829 4.480 0.001 0.000 0.331 237 M C -0.776 175.597 176.300 0.121 0.000 1.170 237 M CA -0.664 54.729 55.300 0.156 0.000 1.009 237 M CB 1.237 33.998 32.600 0.269 0.000 1.672 237 M HN 0.465 nan 8.290 nan 0.000 0.453 238 R N 4.579 125.084 120.500 0.008 0.000 2.437 238 R HA 0.559 4.899 4.340 0.001 0.000 0.310 238 R C -1.719 174.507 176.300 -0.123 0.000 0.955 238 R CA -0.590 55.459 56.100 -0.085 0.000 0.851 238 R CB 1.136 31.381 30.300 -0.092 0.000 1.161 238 R HN 0.816 nan 8.270 nan 0.000 0.446 239 L N 3.983 125.055 121.223 -0.252 0.000 2.371 239 L HA 0.102 4.443 4.340 0.001 0.000 0.272 239 L C 1.764 178.597 176.870 -0.061 0.000 1.124 239 L CA -0.273 54.458 54.840 -0.182 0.000 0.816 239 L CB 1.508 43.389 42.059 -0.296 0.000 1.129 239 L HN 0.724 nan 8.230 nan 0.000 0.448 240 Q N 1.733 121.528 119.800 -0.008 0.000 2.112 240 Q HA -0.212 4.129 4.340 0.001 0.000 0.206 240 Q C 1.928 177.975 176.000 0.077 0.000 0.987 240 Q CA 2.487 58.322 55.803 0.053 0.000 0.858 240 Q CB 0.122 28.890 28.738 0.050 0.000 0.905 240 Q HN 0.927 nan 8.270 nan 0.000 0.420 241 S N 0.379 116.097 115.700 0.030 0.000 2.368 241 S HA -0.126 4.344 4.470 0.001 0.000 0.224 241 S C 1.498 176.067 174.600 -0.051 0.000 1.029 241 S CA 1.205 59.416 58.200 0.018 0.000 0.988 241 S CB -0.290 62.938 63.200 0.046 0.000 0.838 241 S HN 0.298 nan 8.310 nan 0.000 0.462 242 D N 1.104 121.456 120.400 -0.079 0.000 2.097 242 D HA -0.016 4.624 4.640 0.001 0.000 0.195 242 D C 1.553 177.585 176.300 -0.447 0.000 0.989 242 D CA 0.895 54.770 54.000 -0.208 0.000 0.827 242 D CB -0.541 40.212 40.800 -0.080 0.000 0.966 242 D HN 0.460 nan 8.370 nan 0.000 0.456 243 F N 1.586 121.329 119.950 -0.344 0.000 2.126 243 F HA -0.214 4.314 4.527 0.001 0.000 0.299 243 F C 2.190 177.832 175.800 -0.264 0.000 1.096 243 F CA 1.783 59.602 58.000 -0.301 0.000 1.255 243 F CB -0.036 38.895 39.000 -0.115 0.000 0.997 243 F HN -0.060 nan 8.300 nan 0.000 0.479 244 A N 0.608 123.363 122.820 -0.108 0.000 1.902 244 A HA -0.130 4.191 4.320 0.001 0.000 0.217 244 A C 2.214 179.625 177.584 -0.288 0.000 1.181 244 A CA 1.742 53.684 52.037 -0.159 0.000 0.623 244 A CB -1.191 17.807 19.000 -0.004 0.000 0.818 244 A HN 0.498 nan 8.150 nan 0.000 0.443 245 L N -0.723 120.311 121.223 -0.316 0.000 2.083 245 L HA -0.188 4.152 4.340 0.001 0.000 0.209 245 L C 2.972 179.552 176.870 -0.484 0.000 1.083 245 L CA 1.017 55.685 54.840 -0.286 0.000 0.752 245 L CB -0.400 41.570 42.059 -0.148 0.000 0.899 245 L HN 0.431 nan 8.230 nan 0.000 0.433 246 A N -1.396 120.808 122.820 -1.027 0.000 2.067 246 A HA -0.164 4.157 4.320 0.001 0.000 0.219 246 A C 1.868 178.880 177.584 -0.953 0.000 1.158 246 A CA 1.212 52.455 52.037 -1.324 0.000 0.661 246 A CB -0.469 17.338 19.000 -1.988 0.000 0.801 246 A HN 0.466 nan 8.150 nan 0.000 0.452 247 H N -1.221 117.543 119.070 -0.511 0.000 2.885 247 H HA 0.109 4.665 4.556 0.000 0.000 0.260 247 H C -0.107 175.086 175.328 -0.226 0.000 0.985 247 H CA -0.243 55.578 56.048 -0.377 0.000 1.210 247 H CB 0.146 29.588 29.762 -0.533 0.000 1.466 247 H HN 0.483 nan 8.280 nan 0.000 0.493 248 D N 2.026 122.356 120.400 -0.116 0.000 2.382 248 D HA -0.004 4.637 4.640 0.001 0.000 0.245 248 D C -1.646 174.638 176.300 -0.026 0.000 1.120 248 D CA -1.605 52.363 54.000 -0.053 0.000 0.890 248 D CB 2.361 43.131 40.800 -0.050 0.000 1.201 248 D HN 0.006 nan 8.370 nan 0.000 0.433 249 P HA -0.068 nan 4.420 nan 0.000 0.219 249 P C 1.014 178.323 177.300 0.014 0.000 1.146 249 P CA 1.069 64.172 63.100 0.005 0.000 0.808 249 P CB 0.242 31.946 31.700 0.007 0.000 0.779 250 R N -1.093 119.417 120.500 0.015 0.000 2.148 250 R HA -0.003 4.338 4.340 0.001 0.000 0.223 250 R C 1.489 177.813 176.300 0.041 0.000 1.088 250 R CA 1.862 57.980 56.100 0.029 0.000 0.985 250 R CB -0.589 29.729 30.300 0.031 0.000 0.880 250 R HN 0.333 nan 8.270 nan 0.000 0.451 251 T N -4.528 110.046 114.554 0.033 0.000 3.016 251 T HA 0.343 4.693 4.350 0.001 0.000 0.271 251 T C 1.661 176.408 174.700 0.079 0.000 0.968 251 T CA 0.177 62.315 62.100 0.062 0.000 0.891 251 T CB 0.692 69.597 68.868 0.061 0.000 1.149 251 T HN 0.090 nan 8.240 nan 0.000 0.524 252 A N 1.153 123.991 122.820 0.031 0.000 1.883 252 A HA -0.067 4.253 4.320 0.001 0.000 0.217 252 A C 2.458 180.097 177.584 0.093 0.000 1.186 252 A CA 1.730 53.785 52.037 0.030 0.000 0.624 252 A CB -1.414 17.584 19.000 -0.004 0.000 0.822 252 A HN 0.676 nan 8.150 nan 0.000 0.444 253 c N -0.921 117.718 118.600 0.065 0.000 2.450 253 c HA 0.042 4.613 4.570 0.001 0.000 0.279 253 c C 2.546 176.644 174.090 0.014 0.000 1.335 253 c CA 0.649 57.008 56.329 0.050 0.000 1.749 253 c CB -1.336 41.193 42.510 0.032 0.000 1.963 253 c HN 0.624 nan 8.230 nan 0.000 0.501 254 I N -0.190 120.393 120.570 0.022 0.000 2.226 254 I HA -0.253 3.917 4.170 0.001 0.000 0.245 254 I C 2.651 178.635 176.117 -0.222 0.000 1.100 254 I CA 1.613 62.858 61.300 -0.091 0.000 1.374 254 I CB -0.499 37.515 38.000 0.023 0.000 1.057 254 I HN 0.584 nan 8.210 nan 0.000 0.413 255 W N 1.969 123.192 121.300 -0.129 0.000 2.333 255 W HA -0.284 4.376 4.660 0.000 0.000 0.316 255 W C 2.529 179.014 176.519 -0.057 0.000 1.215 255 W CA 2.078 59.422 57.345 -0.001 0.000 1.278 255 W CB -0.448 29.043 29.460 0.051 0.000 1.154 255 W HN 0.263 nan 8.180 nan 0.000 0.486 256 Q N -0.106 119.833 119.800 0.231 0.000 2.124 256 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 256 Q C 2.283 178.226 176.000 -0.095 0.000 0.977 256 Q CA 2.027 57.919 55.803 0.149 0.000 0.850 256 Q CB -0.834 28.025 28.738 0.201 0.000 0.901 256 Q HN 0.259 nan 8.270 nan 0.000 0.429 257 G N -0.622 108.051 108.800 -0.211 0.000 2.501 257 G HA2 -0.215 3.745 3.960 0.001 0.000 0.220 257 G HA3 -0.215 3.745 3.960 0.001 0.000 0.220 257 G C 0.862 175.570 174.900 -0.321 0.000 1.114 257 G CA 0.385 45.336 45.100 -0.248 0.000 0.757 257 G HN 0.399 nan 8.290 nan 0.000 0.559 258 F N 0.067 119.770 119.950 -0.411 0.000 2.698 258 F HA 0.216 4.744 4.527 0.001 0.000 0.295 258 F C 1.136 176.675 175.800 -0.434 0.000 1.124 258 F CA -0.633 56.981 58.000 -0.643 0.000 1.426 258 F CB 0.387 38.443 39.000 -1.574 0.000 1.120 258 F HN -0.228 nan 8.300 nan 0.000 0.583 259 V N 2.167 121.977 119.914 -0.174 0.000 2.509 259 V HA -0.150 3.970 4.120 0.001 0.000 0.297 259 V C 0.703 176.704 176.094 -0.155 0.000 1.014 259 V CA 0.586 62.809 62.300 -0.128 0.000 1.127 259 V CB -0.242 31.457 31.823 -0.206 0.000 0.925 259 V HN 0.621 nan 8.190 nan 0.000 0.480 260 N N 3.000 121.635 118.700 -0.108 0.000 2.741 260 N HA -0.176 4.564 4.740 0.001 0.000 0.251 260 N C 0.044 175.529 175.510 -0.043 0.000 1.112 260 N CA 1.306 54.302 53.050 -0.091 0.000 0.750 260 N CB -0.441 37.962 38.487 -0.141 0.000 1.119 260 N HN 0.814 nan 8.380 nan 0.000 0.561 261 E N 0.217 120.418 120.200 0.002 0.000 3.303 261 E HA 0.100 4.450 4.350 0.001 0.000 0.215 261 E C 0.771 177.438 176.600 0.111 0.000 1.181 261 E CA -0.333 56.123 56.400 0.093 0.000 0.998 261 E CB 1.075 30.911 29.700 0.227 0.000 1.312 261 E HN 0.417 nan 8.360 nan 0.000 0.412 262 Q N 2.034 121.865 119.800 0.052 0.000 2.030 262 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 262 Q C 1.755 177.798 176.000 0.072 0.000 0.986 262 Q CA 2.558 58.382 55.803 0.034 0.000 0.843 262 Q CB -0.074 28.681 28.738 0.029 0.000 0.904 262 Q HN 0.428 nan 8.270 nan 0.000 0.420 263 A N -0.604 122.279 122.820 0.106 0.000 1.968 263 A HA -0.076 4.245 4.320 0.001 0.000 0.217 263 A C 1.958 179.664 177.584 0.203 0.000 1.169 263 A CA 1.169 53.279 52.037 0.122 0.000 0.638 263 A CB -0.882 18.179 19.000 0.101 0.000 0.812 263 A HN 0.567 nan 8.150 nan 0.000 0.446 264 F N 0.252 120.243 119.950 0.068 0.000 2.146 264 F HA -0.127 4.401 4.527 0.001 0.000 0.298 264 F C 2.170 178.061 175.800 0.152 0.000 1.096 264 F CA 1.728 59.813 58.000 0.141 0.000 1.275 264 F CB -0.427 38.665 39.000 0.154 0.000 1.008 264 F HN 0.282 nan 8.300 nan 0.000 0.480 265 M N -0.064 119.488 119.600 -0.079 0.000 2.086 265 M HA -0.138 4.343 4.480 0.001 0.000 0.261 265 M C 2.279 178.409 176.300 -0.282 0.000 1.067 265 M CA 2.145 57.084 55.300 -0.601 0.000 1.116 265 M CB -0.481 31.774 32.600 -0.576 0.000 1.348 265 M HN 0.199 nan 8.290 nan 0.000 0.407 266 A N 0.215 123.021 122.820 -0.023 0.000 1.902 266 A HA -0.036 4.285 4.320 0.001 0.000 0.217 266 A C 2.297 179.940 177.584 0.097 0.000 1.181 266 A CA 1.900 53.998 52.037 0.101 0.000 0.623 266 A CB -1.161 17.893 19.000 0.090 0.000 0.818 266 A HN 0.672 nan 8.150 nan 0.000 0.443 267 A N -0.459 122.416 122.820 0.092 0.000 1.902 267 A HA -0.061 4.260 4.320 0.001 0.000 0.217 267 A C 2.433 180.083 177.584 0.110 0.000 1.181 267 A CA 2.059 54.165 52.037 0.116 0.000 0.623 267 A CB -0.853 18.248 19.000 0.168 0.000 0.818 267 A HN 0.462 nan 8.150 nan 0.000 0.443 268 S N -1.047 114.692 115.700 0.065 0.000 2.368 268 S HA -0.131 4.339 4.470 0.001 0.000 0.225 268 S C 1.666 176.259 174.600 -0.013 0.000 1.030 268 S CA 1.436 59.665 58.200 0.049 0.000 0.999 268 S CB -0.516 62.621 63.200 -0.106 0.000 0.844 268 S HN 0.622 nan 8.310 nan 0.000 0.459 269 F N 2.614 122.448 119.950 -0.193 0.000 2.102 269 F HA -0.052 4.476 4.527 0.001 0.000 0.298 269 F C 2.451 178.220 175.800 -0.051 0.000 1.105 269 F CA 1.462 59.384 58.000 -0.130 0.000 1.239 269 F CB -0.271 38.699 39.000 -0.051 0.000 0.991 269 F HN -0.010 nan 8.300 nan 0.000 0.474 270 R N 0.308 120.831 120.500 0.038 0.000 2.091 270 R HA -0.181 4.160 4.340 0.001 0.000 0.238 270 R C 2.357 178.620 176.300 -0.063 0.000 1.136 270 R CA 1.421 57.494 56.100 -0.045 0.000 0.959 270 R CB -0.684 29.634 30.300 0.030 0.000 0.856 270 R HN 0.393 nan 8.270 nan 0.000 0.437 271 A N 0.518 123.340 122.820 0.003 0.000 1.902 271 A HA -0.107 4.213 4.320 0.001 0.000 0.217 271 A C 2.316 179.918 177.584 0.029 0.000 1.181 271 A CA 1.733 53.794 52.037 0.040 0.000 0.623 271 A CB -0.713 18.350 19.000 0.106 0.000 0.818 271 A HN 0.541 nan 8.150 nan 0.000 0.443 272 A N -1.163 121.648 122.820 -0.014 0.000 1.929 272 A HA -0.018 4.302 4.320 0.001 0.000 0.216 272 A C 2.132 179.707 177.584 -0.016 0.000 1.176 272 A CA 1.668 53.727 52.037 0.035 0.000 0.628 272 A CB -0.415 18.549 19.000 -0.059 0.000 0.816 272 A HN 0.419 nan 8.150 nan 0.000 0.444 273 M N -0.100 119.350 119.600 -0.251 0.000 2.296 273 M HA -0.079 4.401 4.480 0.001 0.000 0.265 273 M C 2.403 178.680 176.300 -0.038 0.000 1.064 273 M CA 1.646 56.807 55.300 -0.232 0.000 1.109 273 M CB -1.229 31.097 32.600 -0.456 0.000 1.396 273 M HN 0.588 nan 8.290 nan 0.000 0.430 274 S N 0.522 116.210 115.700 -0.019 0.000 2.382 274 S HA -0.194 4.276 4.470 0.001 0.000 0.228 274 S C 2.009 176.646 174.600 0.061 0.000 1.027 274 S CA 1.610 59.823 58.200 0.021 0.000 0.991 274 S CB -0.025 63.185 63.200 0.017 0.000 0.823 274 S HN 0.500 nan 8.310 nan 0.000 0.469 275 K N -0.051 120.412 120.400 0.105 0.000 2.031 275 K HA 0.022 4.342 4.320 0.001 0.000 0.205 275 K C 2.182 178.928 176.600 0.243 0.000 1.049 275 K CA 1.220 57.584 56.287 0.128 0.000 0.939 275 K CB -0.401 32.164 32.500 0.109 0.000 0.717 275 K HN 0.374 nan 8.250 nan 0.000 0.438 276 L N 1.111 122.559 121.223 0.374 0.000 2.042 276 L HA -0.074 4.267 4.340 0.001 0.000 0.210 276 L C 2.121 179.141 176.870 0.251 0.000 1.076 276 L CA 2.114 57.197 54.840 0.405 0.000 0.749 276 L CB -0.673 41.536 42.059 0.249 0.000 0.893 276 L HN 0.240 nan 8.230 nan 0.000 0.432 277 A N -1.107 121.816 122.820 0.172 0.000 2.121 277 A HA -0.041 4.279 4.320 0.001 0.000 0.218 277 A C 1.755 179.427 177.584 0.147 0.000 1.154 277 A CA 1.425 53.553 52.037 0.152 0.000 0.679 277 A CB -0.847 18.226 19.000 0.121 0.000 0.795 277 A HN 0.533 nan 8.150 nan 0.000 0.458 278 V N -3.017 116.985 119.914 0.147 0.000 3.214 278 V HA 0.403 4.524 4.120 0.001 0.000 0.330 278 V C 0.318 176.549 176.094 0.228 0.000 1.403 278 V CA -0.583 61.821 62.300 0.172 0.000 1.143 278 V CB -0.900 30.972 31.823 0.082 0.000 1.098 278 V HN 0.279 nan 8.190 nan 0.000 0.463 279 L N 2.448 123.792 121.223 0.201 0.000 2.525 279 L HA 0.423 4.763 4.340 0.001 0.000 0.278 279 L C 1.560 178.460 176.870 0.050 0.000 1.218 279 L CA 1.530 56.449 54.840 0.132 0.000 0.878 279 L CB 0.198 42.354 42.059 0.162 0.000 1.127 279 L HN 0.623 nan 8.230 nan 0.000 0.492 280 G N 1.801 110.553 108.800 -0.080 0.000 2.157 280 G HA2 -0.232 3.729 3.960 0.001 0.000 0.248 280 G HA3 -0.232 3.729 3.960 0.001 0.000 0.248 280 G C -0.086 174.459 174.900 -0.592 0.000 0.979 280 G CA -0.015 44.902 45.100 -0.305 0.000 0.650 280 G HN 0.772 nan 8.290 nan 0.000 0.529 281 H N -1.033 118.045 119.070 0.014 0.000 2.980 281 H HA 0.596 5.152 4.556 0.001 0.000 0.367 281 H C -0.439 174.884 175.328 -0.008 0.000 1.206 281 H CA -0.820 55.230 56.048 0.003 0.000 1.126 281 H CB 1.118 30.880 29.762 -0.000 0.000 1.838 281 H HN 0.072 nan 8.280 nan 0.000 0.552 282 N N 1.553 120.325 118.700 0.120 0.000 2.406 282 N HA 0.021 4.761 4.740 0.001 0.000 0.251 282 N C 0.922 176.456 175.510 0.040 0.000 1.069 282 N CA -0.328 52.755 53.050 0.054 0.000 0.947 282 N CB 0.761 39.267 38.487 0.031 0.000 1.111 282 N HN 0.771 nan 8.380 nan 0.000 0.497 283 R N 3.055 123.567 120.500 0.019 0.000 2.241 283 R HA -0.068 4.272 4.340 0.001 0.000 0.224 283 R C 0.289 176.570 176.300 -0.031 0.000 1.101 283 R CA 1.471 57.563 56.100 -0.013 0.000 0.995 283 R CB -0.326 29.964 30.300 -0.016 0.000 0.870 283 R HN 0.455 nan 8.270 nan 0.000 0.463 284 N N 0.093 118.782 118.700 -0.018 0.000 2.515 284 N HA 0.001 4.741 4.740 0.001 0.000 0.185 284 N C 0.368 175.861 175.510 -0.029 0.000 1.109 284 N CA 0.796 53.832 53.050 -0.023 0.000 0.903 284 N CB 0.466 38.946 38.487 -0.012 0.000 0.969 284 N HN 0.178 nan 8.380 nan 0.000 0.450 285 S N -0.125 115.559 115.700 -0.027 0.000 2.540 285 S HA 0.254 4.724 4.470 0.001 0.000 0.218 285 S C 0.200 174.760 174.600 -0.066 0.000 0.977 285 S CA -0.092 58.090 58.200 -0.030 0.000 0.918 285 S CB 0.443 63.644 63.200 0.001 0.000 0.806 285 S HN 0.158 nan 8.310 nan 0.000 0.496 286 L N 1.373 122.536 121.223 -0.099 0.000 2.334 286 L HA 0.617 4.957 4.340 0.001 0.000 0.276 286 L C -0.355 176.399 176.870 -0.194 0.000 1.014 286 L CA -0.745 53.997 54.840 -0.163 0.000 0.815 286 L CB 1.621 43.556 42.059 -0.207 0.000 1.268 286 L HN 0.136 nan 8.230 nan 0.000 0.428 287 I N 1.156 121.578 120.570 -0.248 0.000 2.612 287 I HA 0.169 4.340 4.170 0.001 0.000 0.295 287 I C -0.205 175.718 176.117 -0.324 0.000 1.011 287 I CA -0.120 60.984 61.300 -0.326 0.000 1.326 287 I CB 1.297 39.048 38.000 -0.416 0.000 1.427 287 I HN 0.576 nan 8.210 nan 0.000 0.537 288 D N 5.923 126.166 120.400 -0.263 0.000 2.347 288 D HA 0.213 4.853 4.640 0.001 0.000 0.235 288 D C -0.658 175.637 176.300 -0.008 0.000 1.149 288 D CA -0.194 53.744 54.000 -0.104 0.000 0.850 288 D CB 0.762 41.577 40.800 0.024 0.000 1.061 288 D HN 0.529 nan 8.370 nan 0.000 0.487 289 c N 2.934 121.476 118.600 -0.096 0.000 2.638 289 c HA 0.172 4.743 4.570 0.001 0.000 0.282 289 c C 2.035 176.212 174.090 0.146 0.000 1.473 289 c CA -0.382 55.961 56.329 0.023 0.000 1.781 289 c CB -1.197 41.246 42.510 -0.112 0.000 2.780 289 c HN 0.584 nan 8.230 nan 0.000 0.531 290 S N 2.083 117.852 115.700 0.116 0.000 2.419 290 S HA -0.161 4.310 4.470 0.001 0.000 0.233 290 S C 1.796 176.477 174.600 0.135 0.000 1.016 290 S CA 1.746 60.036 58.200 0.150 0.000 0.974 290 S CB -0.224 63.031 63.200 0.091 0.000 0.786 290 S HN 0.859 nan 8.310 nan 0.000 0.492 291 D N 1.489 121.956 120.400 0.111 0.000 2.371 291 D HA -0.058 4.582 4.640 0.001 0.000 0.221 291 D C 1.539 177.906 176.300 0.111 0.000 0.986 291 D CA 0.744 54.798 54.000 0.090 0.000 0.899 291 D CB -0.315 40.523 40.800 0.064 0.000 0.902 291 D HN 0.513 nan 8.370 nan 0.000 0.530 292 V N -1.986 118.020 119.914 0.154 0.000 3.647 292 V HA 0.205 4.326 4.120 0.001 0.000 0.279 292 V C 0.722 176.984 176.094 0.281 0.000 1.314 292 V CA -0.567 61.849 62.300 0.192 0.000 1.125 292 V CB -0.213 31.718 31.823 0.180 0.000 0.907 292 V HN -0.127 nan 8.190 nan 0.000 0.434 293 V N 3.161 123.214 119.914 0.232 0.000 2.521 293 V HA 0.264 4.384 4.120 0.001 0.000 0.286 293 V C -1.836 174.279 176.094 0.035 0.000 1.034 293 V CA -1.064 61.302 62.300 0.110 0.000 1.045 293 V CB 0.564 32.419 31.823 0.054 0.000 0.974 293 V HN 0.404 nan 8.190 nan 0.000 0.480 294 P HA 0.051 nan 4.420 nan 0.000 0.267 294 P C -0.376 176.908 177.300 -0.026 0.000 1.200 294 P CA -0.065 63.025 63.100 -0.017 0.000 0.772 294 P CB 0.347 32.019 31.700 -0.048 0.000 0.855 295 V N 5.423 125.330 119.914 -0.011 0.000 2.572 295 V HA 0.141 4.262 4.120 0.001 0.000 0.291 295 V C -1.446 174.628 176.094 -0.034 0.000 1.039 295 V CA -0.994 61.296 62.300 -0.016 0.000 1.055 295 V CB 0.122 31.942 31.823 -0.004 0.000 0.969 295 V HN 0.642 nan 8.190 nan 0.000 0.482 296 P HA 0.224 nan 4.420 nan 0.000 0.274 296 P C -0.711 176.562 177.300 -0.044 0.000 1.237 296 P CA -0.699 62.362 63.100 -0.064 0.000 0.793 296 P CB 0.770 32.417 31.700 -0.088 0.000 0.977 297 K N 2.481 122.853 120.400 -0.046 0.000 2.451 297 K HA 0.159 4.480 4.320 0.001 0.000 0.280 297 K C -1.811 174.777 176.600 -0.019 0.000 1.020 297 K CA -1.126 55.145 56.287 -0.026 0.000 1.008 297 K CB -0.384 32.103 32.500 -0.022 0.000 0.917 297 K HN 0.432 nan 8.250 nan 0.000 0.478 298 P HA 0.054 nan 4.420 nan 0.000 0.277 298 P C -0.796 176.509 177.300 0.009 0.000 1.240 298 P CA -0.407 62.693 63.100 -0.001 0.000 0.798 298 P CB 0.889 32.590 31.700 0.002 0.000 0.979 299 A N 1.618 124.447 122.820 0.016 0.000 2.346 299 A HA 0.287 4.607 4.320 0.001 0.000 0.252 299 A C 1.619 179.213 177.584 0.018 0.000 1.089 299 A CA 0.412 52.463 52.037 0.023 0.000 0.797 299 A CB -0.708 18.309 19.000 0.028 0.000 1.047 299 A HN 0.661 nan 8.150 nan 0.000 0.494 300 T N -2.147 112.418 114.554 0.018 0.000 3.055 300 T HA 0.330 4.680 4.350 0.001 0.000 0.265 300 T C 1.394 176.102 174.700 0.014 0.000 1.111 300 T CA 1.258 63.367 62.100 0.015 0.000 1.118 300 T CB -0.200 68.678 68.868 0.016 0.000 0.909 300 T HN 2.449 nan 8.240 nan 0.000 0.501 301 G N 0.671 109.480 108.800 0.015 0.000 2.175 301 G HA2 -0.228 3.732 3.960 0.001 0.000 0.244 301 G HA3 -0.228 3.732 3.960 0.001 0.000 0.244 301 G C -0.085 174.821 174.900 0.011 0.000 0.982 301 G CA -0.042 45.066 45.100 0.013 0.000 0.641 301 G HN 0.665 nan 8.290 nan 0.000 0.527 302 Q N 0.842 120.649 119.800 0.011 0.000 2.373 302 Q HA 0.410 4.751 4.340 0.001 0.000 0.255 302 Q C -1.975 174.027 176.000 0.004 0.000 0.980 302 Q CA -1.135 54.674 55.803 0.010 0.000 0.882 302 Q CB 0.507 29.253 28.738 0.013 0.000 1.249 302 Q HN 0.277 nan 8.270 nan 0.000 0.438 303 P HA 0.081 nan 4.420 nan 0.000 0.274 303 P C -1.170 176.121 177.300 -0.015 0.000 1.237 303 P CA -0.253 62.843 63.100 -0.008 0.000 0.793 303 P CB 0.489 32.187 31.700 -0.003 0.000 0.977 304 A N 2.130 124.927 122.820 -0.038 0.000 2.466 304 A HA 0.472 4.793 4.320 0.001 0.000 0.238 304 A C -0.023 177.530 177.584 -0.052 0.000 1.074 304 A CA 0.363 52.366 52.037 -0.057 0.000 0.774 304 A CB -0.405 18.539 19.000 -0.094 0.000 1.015 304 A HN 0.516 nan 8.150 nan 0.000 0.498 305 M N 0.457 120.028 119.600 -0.048 0.000 2.484 305 M HA 0.392 4.872 4.480 0.001 0.000 0.289 305 M C -1.412 174.894 176.300 0.010 0.000 1.206 305 M CA -0.123 55.185 55.300 0.013 0.000 0.892 305 M CB 1.994 34.635 32.600 0.067 0.000 1.712 305 M HN 0.576 nan 8.290 nan 0.000 0.462 306 F N 2.233 122.227 119.950 0.073 0.000 2.504 306 F HA 0.291 4.818 4.527 0.001 0.000 0.369 306 F C -1.899 173.929 175.800 0.047 0.000 1.082 306 F CA -1.142 56.899 58.000 0.069 0.000 1.216 306 F CB 0.025 39.066 39.000 0.068 0.000 1.108 306 F HN 0.180 nan 8.300 nan 0.000 0.554 307 P HA 0.103 nan 4.420 nan 0.000 0.269 307 P C -0.776 176.599 177.300 0.123 0.000 1.215 307 P CA -0.341 62.835 63.100 0.127 0.000 0.780 307 P CB 0.551 32.304 31.700 0.090 0.000 0.898 308 A N 2.506 125.376 122.820 0.082 0.000 2.520 308 A HA 0.351 4.671 4.320 0.001 0.000 0.235 308 A C 1.149 178.762 177.584 0.049 0.000 1.065 308 A CA 1.221 53.293 52.037 0.059 0.000 0.764 308 A CB -0.991 18.035 19.000 0.044 0.000 1.002 308 A HN 0.944 nan 8.150 nan 0.000 0.502 309 S N -0.800 114.919 115.700 0.032 0.000 2.659 309 S HA -0.188 4.282 4.470 0.001 0.000 0.264 309 S C 0.298 174.909 174.600 0.018 0.000 1.310 309 S CA 1.766 59.977 58.200 0.019 0.000 1.262 309 S CB -2.828 60.384 63.200 0.020 0.000 1.548 309 S HN 2.735 nan 8.310 nan 0.000 0.657 310 T N -1.477 113.101 114.554 0.039 0.000 2.916 310 T HA 0.879 5.230 4.350 0.001 0.000 0.292 310 T C 0.245 174.898 174.700 -0.079 0.000 1.064 310 T CA -0.100 62.023 62.100 0.039 0.000 1.011 310 T CB 1.498 70.463 68.868 0.162 0.000 1.152 310 T HN 1.888 nan 8.240 nan 0.000 0.510 311 G N 0.234 108.877 108.800 -0.261 0.000 2.550 311 G HA2 0.565 4.525 3.960 0.001 0.000 0.293 311 G HA3 0.565 4.525 3.960 0.001 0.000 0.293 311 G C -2.722 171.643 174.900 -0.892 0.000 1.402 311 G CA -1.097 43.530 45.100 -0.789 0.000 0.784 311 G HN 0.431 nan 8.290 nan 0.000 0.482 312 P HA -0.096 nan 4.420 nan 0.000 0.221 312 P C 1.815 178.996 177.300 -0.199 0.000 1.145 312 P CA 1.315 64.164 63.100 -0.418 0.000 0.795 312 P CB 0.251 31.822 31.700 -0.216 0.000 0.775 313 Q N -0.793 118.891 119.800 -0.194 0.000 2.436 313 Q HA -0.120 4.221 4.340 0.001 0.000 0.209 313 Q C 0.460 176.412 176.000 -0.081 0.000 0.965 313 Q CA 1.337 57.073 55.803 -0.111 0.000 0.910 313 Q CB -0.760 27.920 28.738 -0.097 0.000 0.980 313 Q HN 0.279 nan 8.270 nan 0.000 0.491 314 D N 0.869 121.221 120.400 -0.079 0.000 2.339 314 D HA 0.184 4.824 4.640 0.001 0.000 0.217 314 D C 0.324 176.629 176.300 0.009 0.000 1.050 314 D CA -0.046 53.941 54.000 -0.022 0.000 0.856 314 D CB 0.383 41.185 40.800 0.004 0.000 0.922 314 D HN 0.233 nan 8.370 nan 0.000 0.518 315 L N 1.404 122.616 121.223 -0.018 0.000 2.453 315 L HA 0.057 4.398 4.340 0.001 0.000 0.272 315 L C 0.628 177.481 176.870 -0.029 0.000 1.182 315 L CA 0.529 55.341 54.840 -0.048 0.000 0.858 315 L CB 0.520 42.446 42.059 -0.221 0.000 1.120 315 L HN -0.226 nan 8.230 nan 0.000 0.474 316 E N 5.007 125.222 120.200 0.025 0.000 2.376 316 E HA 0.353 4.703 4.350 0.001 0.000 0.236 316 E C -0.981 175.682 176.600 0.104 0.000 0.962 316 E CA -0.275 56.152 56.400 0.046 0.000 0.768 316 E CB 1.053 30.793 29.700 0.067 0.000 1.236 316 E HN 0.446 nan 8.360 nan 0.000 0.431 317 L N 1.042 122.282 121.223 0.029 0.000 2.375 317 L HA 0.321 4.661 4.340 0.001 0.000 0.271 317 L C 0.785 177.702 176.870 0.079 0.000 1.107 317 L CA -0.196 54.674 54.840 0.051 0.000 0.806 317 L CB 1.328 43.390 42.059 0.005 0.000 1.146 317 L HN 0.411 nan 8.230 nan 0.000 0.447 318 S N 0.069 115.830 115.700 0.101 0.000 3.009 318 S HA 0.079 4.550 4.470 0.001 0.000 0.254 318 S C -0.448 174.189 174.600 0.062 0.000 1.004 318 S CA -0.380 57.871 58.200 0.085 0.000 1.119 318 S CB 0.517 63.798 63.200 0.136 0.000 1.075 318 S HN 0.660 nan 8.310 nan 0.000 0.618 319 c N 3.972 122.617 118.600 0.075 0.000 2.335 319 c HA 0.550 5.120 4.570 0.001 0.000 0.318 319 c C -1.850 172.276 174.090 0.059 0.000 1.150 319 c CA -1.909 54.460 56.329 0.066 0.000 1.466 319 c CB 0.154 42.714 42.510 0.084 0.000 2.024 319 c HN 0.286 nan 8.230 nan 0.000 0.429 320 P HA -0.046 nan 4.420 nan 0.000 0.223 320 P C 1.144 178.463 177.300 0.032 0.000 1.151 320 P CA 1.152 64.273 63.100 0.034 0.000 0.787 320 P CB 0.134 31.848 31.700 0.023 0.000 0.788 321 S N -2.505 113.212 115.700 0.028 0.000 2.554 321 S HA 0.207 4.677 4.470 0.001 0.000 0.226 321 S C 0.384 174.994 174.600 0.017 0.000 0.980 321 S CA -0.394 57.816 58.200 0.018 0.000 0.939 321 S CB -0.161 63.044 63.200 0.009 0.000 0.832 321 S HN 0.075 nan 8.310 nan 0.000 0.486 322 E N 1.299 121.518 120.200 0.031 0.000 2.292 322 E HA 0.344 4.694 4.350 0.001 0.000 0.272 322 E C -1.107 175.526 176.600 0.055 0.000 0.881 322 E CA -0.699 55.716 56.400 0.025 0.000 0.754 322 E CB 2.179 31.886 29.700 0.012 0.000 1.201 322 E HN 0.172 nan 8.360 nan 0.000 0.425 323 R N 2.711 123.236 120.500 0.042 0.000 2.389 323 R HA 0.156 4.496 4.340 0.001 0.000 0.295 323 R C -0.739 175.624 176.300 0.105 0.000 1.075 323 R CA -0.263 55.885 56.100 0.078 0.000 1.005 323 R CB 0.415 30.744 30.300 0.049 0.000 0.987 323 R HN 0.448 nan 8.270 nan 0.000 0.452 324 F N 7.055 127.028 119.950 0.039 0.000 2.495 324 F HA 0.241 4.768 4.527 0.000 0.000 0.365 324 F C -1.419 174.413 175.800 0.053 0.000 1.090 324 F CA -1.501 56.530 58.000 0.052 0.000 1.235 324 F CB 0.575 39.623 39.000 0.080 0.000 1.119 324 F HN 0.518 nan 8.300 nan 0.000 0.562 325 P HA 0.045 nan 4.420 nan 0.000 0.272 325 P C -0.918 176.416 177.300 0.056 0.000 1.230 325 P CA -0.334 62.667 63.100 -0.165 0.000 0.788 325 P CB 0.489 32.019 31.700 -0.283 0.000 0.949 326 T N 2.710 117.313 114.554 0.081 0.000 2.752 326 T HA 0.357 4.708 4.350 0.001 0.000 0.295 326 T C 0.293 175.074 174.700 0.135 0.000 0.923 326 T CA -0.005 62.182 62.100 0.144 0.000 1.112 326 T CB -0.384 68.542 68.868 0.097 0.000 0.884 326 T HN 0.186 nan 8.240 nan 0.000 0.525 327 L N 3.014 124.385 121.223 0.247 0.000 2.341 327 L HA 0.588 4.928 4.340 0.001 0.000 0.267 327 L C 1.056 178.099 176.870 0.288 0.000 1.009 327 L CA -1.244 53.728 54.840 0.220 0.000 0.819 327 L CB 2.060 44.208 42.059 0.148 0.000 1.323 327 L HN 0.592 nan 8.230 nan 0.000 0.425 328 T N -2.165 112.511 114.554 0.205 0.000 2.847 328 T HA 0.441 4.792 4.350 0.001 0.000 0.279 328 T C 0.008 174.872 174.700 0.274 0.000 0.984 328 T CA -0.527 61.687 62.100 0.189 0.000 0.988 328 T CB 1.380 70.315 68.868 0.112 0.000 1.040 328 T HN 0.519 nan 8.240 nan 0.000 0.528 329 T N 1.905 116.572 114.554 0.189 0.000 2.829 329 T HA 0.346 4.696 4.350 0.001 0.000 0.280 329 T C -0.144 174.626 174.700 0.117 0.000 0.999 329 T CA -0.711 61.502 62.100 0.188 0.000 0.983 329 T CB 1.462 70.378 68.868 0.079 0.000 0.968 329 T HN 0.576 nan 8.240 nan 0.000 0.446 330 Q N 3.294 123.164 119.800 0.117 0.000 2.337 330 Q HA 0.184 4.524 4.340 0.001 0.000 0.270 330 Q C -2.073 173.962 176.000 0.057 0.000 1.002 330 Q CA -1.465 54.384 55.803 0.077 0.000 0.888 330 Q CB 0.414 29.195 28.738 0.072 0.000 1.222 330 Q HN 0.370 nan 8.270 nan 0.000 0.400 331 P HA 0.189 nan 4.420 nan 0.000 0.269 331 P C -0.185 177.132 177.300 0.028 0.000 1.215 331 P CA 0.166 63.284 63.100 0.031 0.000 0.780 331 P CB 0.685 32.401 31.700 0.026 0.000 0.898 332 G N -0.273 108.540 108.800 0.021 0.000 2.453 332 G HA2 0.255 4.216 3.960 0.001 0.000 0.665 332 G HA3 0.255 4.216 3.960 0.001 0.000 0.665 332 G C 0.141 175.049 174.900 0.014 0.000 1.411 332 G CA -0.157 44.953 45.100 0.018 0.000 0.889 332 G HN 0.467 nan 8.290 nan 0.000 0.651 333 A N -0.031 122.795 122.820 0.010 0.000 2.195 333 A HA 0.681 5.002 4.320 0.001 0.000 0.210 333 A C 1.526 179.114 177.584 0.008 0.000 1.165 333 A CA 1.909 53.949 52.037 0.006 0.000 0.806 333 A CB -0.177 18.825 19.000 0.003 0.000 0.847 333 A HN 2.374 nan 8.150 nan 0.000 0.482 334 S N -1.378 114.329 115.700 0.012 0.000 2.632 334 S HA 0.500 4.971 4.470 0.001 0.000 0.289 334 S C -0.468 174.143 174.600 0.018 0.000 1.115 334 S CA -0.669 57.539 58.200 0.013 0.000 0.889 334 S CB 0.882 64.088 63.200 0.011 0.000 1.116 334 S HN 0.347 nan 8.310 nan 0.000 0.486 335 Q N 0.982 120.793 119.800 0.018 0.000 2.315 335 Q HA 0.214 4.554 4.340 0.001 0.000 0.289 335 Q C -0.637 175.377 176.000 0.024 0.000 1.044 335 Q CA 0.204 56.020 55.803 0.023 0.000 0.920 335 Q CB 0.407 29.157 28.738 0.020 0.000 1.214 335 Q HN 0.741 nan 8.270 nan 0.000 0.392 336 S N 3.450 119.167 115.700 0.028 0.000 2.565 336 S HA 0.303 4.774 4.470 0.001 0.000 0.274 336 S C 0.043 174.661 174.600 0.029 0.000 1.309 336 S CA -0.667 57.550 58.200 0.029 0.000 1.043 336 S CB 0.569 63.788 63.200 0.032 0.000 0.939 336 S HN 0.522 nan 8.310 nan 0.000 0.504 337 L N 2.527 123.769 121.223 0.030 0.000 2.483 337 L HA 0.216 4.557 4.340 0.001 0.000 0.276 337 L C -0.080 176.813 176.870 0.039 0.000 1.213 337 L CA 0.092 54.952 54.840 0.034 0.000 0.843 337 L CB 0.027 42.108 42.059 0.037 0.000 1.107 337 L HN 0.533 nan 8.230 nan 0.000 0.487 338 I N 2.665 123.257 120.570 0.037 0.000 2.312 338 I HA 0.218 4.388 4.170 0.001 0.000 0.291 338 I C 0.643 176.805 176.117 0.075 0.000 1.031 338 I CA -0.317 61.003 61.300 0.033 0.000 1.293 338 I CB 1.270 39.267 38.000 -0.004 0.000 1.403 338 I HN 0.658 nan 8.210 nan 0.000 0.484 339 A N 4.500 127.388 122.820 0.114 0.000 2.546 339 A HA -0.075 4.246 4.320 0.001 0.000 0.243 339 A C 1.093 178.847 177.584 0.284 0.000 1.063 339 A CA 0.158 52.306 52.037 0.186 0.000 0.757 339 A CB -0.160 18.960 19.000 0.200 0.000 0.991 339 A HN 0.859 nan 8.150 nan 0.000 0.503 340 H N 0.824 119.991 119.070 0.163 0.000 2.491 340 H HA 0.013 4.569 4.556 0.001 0.000 0.290 340 H C 0.129 175.641 175.328 0.305 0.000 1.050 340 H CA 1.506 57.669 56.048 0.191 0.000 1.309 340 H CB 0.048 29.868 29.762 0.097 0.000 1.392 340 H HN 0.609 nan 8.280 nan 0.000 0.554 341 c N 0.389 119.085 118.600 0.161 0.000 2.493 341 c HA 0.248 4.819 4.570 0.001 0.000 0.326 341 c C -1.073 172.749 174.090 -0.446 0.000 1.200 341 c CA -1.261 54.966 56.329 -0.171 0.000 1.739 341 c CB 2.161 44.620 42.510 -0.085 0.000 2.300 341 c HN 0.321 nan 8.230 nan 0.000 0.500 342 P HA -0.126 nan 4.420 nan 0.000 0.218 342 P C 0.720 177.824 177.300 -0.328 0.000 1.148 342 P CA 1.499 64.022 63.100 -0.961 0.000 0.822 342 P CB 0.042 31.227 31.700 -0.858 0.000 0.784 343 D N -2.527 117.738 120.400 -0.224 0.000 2.340 343 D HA 0.143 4.784 4.640 0.001 0.000 0.217 343 D C 1.399 177.671 176.300 -0.047 0.000 1.081 343 D CA 0.398 54.334 54.000 -0.106 0.000 0.842 343 D CB -0.475 40.271 40.800 -0.090 0.000 0.934 343 D HN 0.243 nan 8.370 nan 0.000 0.511 344 G N -0.010 108.774 108.800 -0.027 0.000 2.284 344 G HA2 -0.294 3.667 3.960 0.001 0.000 0.216 344 G HA3 -0.294 3.667 3.960 0.001 0.000 0.216 344 G C 0.777 175.701 174.900 0.041 0.000 1.009 344 G CA 0.227 45.344 45.100 0.029 0.000 0.625 344 G HN 0.545 nan 8.290 nan 0.000 0.501 345 S N 0.029 115.741 115.700 0.020 0.000 2.536 345 S HA 0.648 5.118 4.470 0.001 0.000 0.248 345 S C 1.239 175.891 174.600 0.086 0.000 1.287 345 S CA 0.814 59.037 58.200 0.038 0.000 0.978 345 S CB 0.301 63.512 63.200 0.019 0.000 0.992 345 S HN 0.299 nan 8.310 nan 0.000 0.539 346 M N 0.002 119.657 119.600 0.091 0.000 2.313 346 M HA 0.183 4.663 4.480 0.001 0.000 0.400 346 M C -0.870 175.515 176.300 0.142 0.000 0.989 346 M CA 0.059 55.445 55.300 0.144 0.000 0.977 346 M CB 0.881 33.519 32.600 0.064 0.000 1.808 346 M HN 0.464 nan 8.290 nan 0.000 0.613 347 S N 1.626 117.380 115.700 0.090 0.000 2.542 347 S HA 0.438 4.908 4.470 0.001 0.000 0.245 347 S C -0.236 174.382 174.600 0.031 0.000 1.325 347 S CA -0.803 57.433 58.200 0.061 0.000 1.176 347 S CB 0.453 63.669 63.200 0.026 0.000 1.045 347 S HN 0.457 nan 8.310 nan 0.000 0.481 348 c N 0.726 119.347 118.600 0.036 0.000 3.253 348 c HA 0.426 4.996 4.570 0.001 0.000 0.230 348 c C -2.395 171.681 174.090 -0.022 0.000 1.124 348 c CA -1.650 54.664 56.329 -0.025 0.000 1.143 348 c CB -1.255 41.200 42.510 -0.090 0.000 1.794 348 c HN 0.587 nan 8.230 nan 0.000 0.617 349 P HA 0.409 nan 4.420 nan 0.000 0.271 349 P C 0.521 177.801 177.300 -0.032 0.000 1.220 349 P CA 1.012 64.110 63.100 -0.004 0.000 0.768 349 P CB 1.035 32.731 31.700 -0.007 0.000 0.848 350 G N 1.995 110.776 108.800 -0.030 0.000 2.415 350 G HA2 0.342 4.302 3.960 0.001 0.000 0.269 350 G HA3 0.342 4.302 3.960 0.001 0.000 0.269 350 G C -0.150 174.706 174.900 -0.074 0.000 1.209 350 G CA -0.590 44.484 45.100 -0.044 0.000 0.835 350 G HN 0.424 nan 8.290 nan 0.000 0.534 351 V N 1.691 121.542 119.914 -0.105 0.000 2.617 351 V HA 0.136 4.256 4.120 0.001 0.000 0.304 351 V C 0.361 176.310 176.094 -0.241 0.000 1.040 351 V CA 0.567 62.741 62.300 -0.210 0.000 1.149 351 V CB 1.012 32.694 31.823 -0.235 0.000 0.914 351 V HN 0.826 nan 8.190 nan 0.000 0.487 352 Q N 4.445 124.056 119.800 -0.316 0.000 2.285 352 Q HA 0.521 4.862 4.340 0.001 0.000 0.269 352 Q C -1.469 174.349 176.000 -0.303 0.000 1.030 352 Q CA -0.389 55.283 55.803 -0.218 0.000 0.788 352 Q CB 1.463 30.155 28.738 -0.077 0.000 1.266 352 Q HN 0.488 nan 8.270 nan 0.000 0.438 353 F N 1.894 121.860 119.950 0.027 0.000 2.385 353 F HA 0.468 4.996 4.527 0.001 0.000 0.336 353 F C 0.713 176.521 175.800 0.015 0.000 1.100 353 F CA -0.421 57.587 58.000 0.014 0.000 1.116 353 F CB 1.158 40.166 39.000 0.014 0.000 1.166 353 F HN 0.538 nan 8.300 nan 0.000 0.511 354 N N 0.294 119.113 118.700 0.198 0.000 2.467 354 N HA 0.634 5.375 4.740 0.001 0.000 0.262 354 N C 0.070 175.643 175.510 0.106 0.000 1.234 354 N CA -0.038 53.080 53.050 0.114 0.000 0.952 354 N CB 0.879 39.412 38.487 0.077 0.000 1.158 354 N HN 0.806 nan 8.380 nan 0.000 0.463 355 G N -0.304 108.537 108.800 0.068 0.000 2.488 355 G HA2 0.238 4.199 3.960 0.001 0.000 0.301 355 G HA3 0.238 4.199 3.960 0.001 0.000 0.301 355 G C -2.386 172.532 174.900 0.031 0.000 1.339 355 G CA -0.633 44.495 45.100 0.046 0.000 0.803 355 G HN 0.371 nan 8.290 nan 0.000 0.482 356 P HA 0.248 nan 4.420 nan 0.000 0.236 356 P C 0.940 178.250 177.300 0.016 0.000 1.177 356 P CA 1.013 64.121 63.100 0.013 0.000 0.773 356 P CB 0.410 32.110 31.700 0.001 0.000 0.878 357 A N 0.000 122.833 122.820 0.022 0.000 2.254 357 A HA 0.000 4.320 4.320 0.001 0.000 0.244 357 A CA 0.000 52.048 52.037 0.019 0.000 0.836 357 A CB 0.000 19.014 19.000 0.024 0.000 0.831 357 A HN 0.000 nan 8.150 nan 0.000 0.486