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 1cl1_1_A DATA FIRST_RESID 5 DATA SEQUENCE KLDTQLVNAG RSKKYTLGAV NSVIQRASSL VFDSVEAKKH ATRNRANGEL DATA SEQUENCE FYGRRGTLTH FSLQQAMCEL EGGAGCVLFP CGAAAVANSI LAFIEQGDHV DATA SEQUENCE LMTNTAYEPS QDFCSKILSK LGVTTSWFDP LIGADIVKHL QPNTKIVFLE DATA SEQUENCE SPGSITMEVH DVPAIVAAVR SVVPDAIIMI DNTWAAGVLF KALDFGIDVS DATA SEQUENCE IQAATXYLVG HSDAMIGTAV CNARCWEQLR ENAYLMGQMV DADTAYITSR DATA SEQUENCE GLRTLGVRLR QHHESSLKVA EWLAEHPQVA RVNHPALPGS KGHEFWKRDF DATA SEQUENCE TGSSGLFSFV LKKKLNNEEL ANYLDNFSLF SMAYSWGGYE SLILANQPEH DATA SEQUENCE IAAIRPQGEI DFSGTLIRLH IGLEDVDDLI ADLDAGFARI V 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.605 176.600 0.008 0.000 0.988 5 K CA 0.000 56.290 56.287 0.005 0.000 0.838 5 K CB 0.000 32.501 32.500 0.002 0.000 1.064 6 L N 1.939 123.169 121.223 0.011 0.000 2.012 6 L HA -0.197 nan 4.340 nan 0.000 0.210 6 L C 0.344 177.224 176.870 0.016 0.000 1.073 6 L CA 2.878 57.727 54.840 0.015 0.000 0.748 6 L CB -0.960 41.112 42.059 0.022 0.000 0.891 6 L HN -0.042 8.196 8.230 0.012 0.000 0.431 7 D N -2.789 117.621 120.400 0.017 0.000 2.149 7 D HA -0.247 nan 4.640 nan 0.000 0.198 7 D C 2.431 178.739 176.300 0.014 0.000 0.990 7 D CA 4.086 58.096 54.000 0.017 0.000 0.839 7 D CB -0.853 39.957 40.800 0.015 0.000 0.948 7 D HN 0.443 8.823 8.370 0.017 0.000 0.460 8 T N 2.741 117.301 114.554 0.011 0.000 2.777 8 T HA -0.205 nan 4.350 nan 0.000 0.266 8 T C 2.116 176.822 174.700 0.010 0.000 1.040 8 T CA 3.587 65.693 62.100 0.010 0.000 1.141 8 T CB -0.414 68.458 68.868 0.007 0.000 0.868 8 T HN -0.179 7.970 8.240 0.011 0.097 0.444 9 Q N 1.670 121.476 119.800 0.010 0.000 2.050 9 Q HA -0.335 nan 4.340 nan 0.000 0.202 9 Q C 2.287 178.294 176.000 0.012 0.000 0.980 9 Q CA 3.496 59.304 55.803 0.009 0.000 0.840 9 Q CB -0.097 28.645 28.738 0.007 0.000 0.898 9 Q HN -0.122 8.073 8.270 0.009 0.081 0.424 10 L N -1.112 120.120 121.223 0.014 0.000 2.042 10 L HA -0.391 nan 4.340 nan 0.000 0.210 10 L C 2.203 179.080 176.870 0.011 0.000 1.076 10 L CA 3.416 58.265 54.840 0.015 0.000 0.749 10 L CB -0.309 41.763 42.059 0.021 0.000 0.893 10 L HN 0.411 8.650 8.230 0.015 0.000 0.432 11 V N -1.819 118.102 119.914 0.011 0.000 2.548 11 V HA -0.410 nan 4.120 nan 0.000 0.249 11 V C 1.530 177.629 176.094 0.009 0.000 1.055 11 V CA 4.730 67.035 62.300 0.009 0.000 1.065 11 V CB -0.821 31.008 31.823 0.010 0.000 0.681 11 V HN -0.195 8.003 8.190 0.013 0.000 0.462 12 N N -2.468 116.239 118.700 0.013 0.000 2.294 12 N HA 0.083 nan 4.740 nan 0.000 0.186 12 N C -0.329 175.196 175.510 0.026 0.000 1.107 12 N CA 0.468 53.529 53.050 0.019 0.000 0.884 12 N CB 1.070 39.568 38.487 0.018 0.000 1.030 12 N HN -0.817 7.442 8.380 0.012 0.128 0.482 13 A N -0.312 122.520 122.820 0.020 0.000 2.561 13 A HA -0.206 nan 4.320 nan 0.000 0.251 13 A C 0.145 177.750 177.584 0.035 0.000 1.062 13 A CA 1.718 53.769 52.037 0.024 0.000 0.761 13 A CB -0.806 18.202 19.000 0.013 0.000 0.986 13 A HN 0.109 8.267 8.150 0.015 0.000 0.510 14 G N 2.593 111.433 108.800 0.066 0.000 2.184 14 G HA2 -0.495 nan 3.960 nan 0.000 0.264 14 G HA3 -0.495 nan 3.960 nan 0.000 0.264 14 G C 0.147 175.156 174.900 0.181 0.000 0.975 14 G CA 0.994 46.160 45.100 0.111 0.000 0.642 14 G HN 0.172 8.656 8.290 0.067 -0.154 0.536 15 R N 0.604 121.182 120.500 0.129 0.000 4.394 15 R HA 0.057 nan 4.340 nan 0.000 0.257 15 R C -0.431 175.943 176.300 0.122 0.000 1.727 15 R CA -1.370 54.808 56.100 0.131 0.000 1.497 15 R CB -1.073 29.269 30.300 0.069 0.000 1.406 15 R HN -0.348 7.915 8.270 0.088 0.060 0.745 16 S N 1.569 117.364 115.700 0.158 0.000 2.593 16 S HA 0.089 nan 4.470 nan 0.000 0.269 16 S C 0.196 174.786 174.600 -0.017 0.000 1.334 16 S CA -0.452 57.758 58.200 0.017 0.000 1.015 16 S CB 1.169 64.301 63.200 -0.113 0.000 0.912 16 S HN -0.653 7.766 8.310 0.304 0.073 0.541 17 K N 3.553 123.927 120.400 -0.043 0.000 2.209 17 K HA -0.308 nan 4.320 nan 0.000 0.204 17 K C 1.914 178.475 176.600 -0.065 0.000 1.048 17 K CA 2.988 59.258 56.287 -0.029 0.000 0.940 17 K CB -0.326 32.160 32.500 -0.024 0.000 0.729 17 K HN 0.432 8.655 8.250 -0.044 0.000 0.451 18 K N -2.117 118.169 120.400 -0.190 0.000 2.152 18 K HA -0.166 nan 4.320 nan 0.000 0.206 18 K C 1.148 177.639 176.600 -0.182 0.000 1.048 18 K CA 2.334 58.463 56.287 -0.263 0.000 0.933 18 K CB -0.873 31.335 32.500 -0.486 0.000 0.721 18 K HN 0.265 8.359 8.250 -0.220 0.023 0.447 19 Y N -4.475 115.869 120.300 0.074 0.000 2.479 19 Y HA 0.054 nan 4.550 nan 0.000 0.283 19 Y C 2.020 177.956 175.900 0.061 0.000 1.109 19 Y CA 0.906 59.052 58.100 0.076 0.000 1.239 19 Y CB 1.089 39.599 38.460 0.083 0.000 1.108 19 Y HN -0.471 7.549 8.280 -0.194 0.144 0.548 20 T N -3.126 111.537 114.554 0.181 0.000 3.009 20 T HA 0.041 nan 4.350 nan 0.000 0.258 20 T C 1.142 175.891 174.700 0.082 0.000 1.063 20 T CA 1.358 63.533 62.100 0.125 0.000 1.139 20 T CB 0.879 69.806 68.868 0.098 0.000 0.890 20 T HN -0.339 7.985 8.240 0.140 0.000 0.471 21 L N -0.609 120.650 121.223 0.059 0.000 3.678 21 L HA -0.550 nan 4.340 nan 0.000 0.425 21 L C 0.266 177.154 176.870 0.031 0.000 1.240 21 L CA 0.620 55.482 54.840 0.038 0.000 0.876 21 L CB -2.389 39.694 42.059 0.041 0.000 1.766 21 L HN 0.237 8.388 8.230 0.053 0.110 0.917 22 G N -4.707 104.111 108.800 0.030 0.000 2.284 22 G HA2 -0.358 nan 3.960 nan 0.000 0.216 22 G HA3 -0.358 nan 3.960 nan 0.000 0.216 22 G C -0.344 174.575 174.900 0.031 0.000 1.009 22 G CA -0.587 44.528 45.100 0.025 0.000 0.625 22 G HN -0.301 8.000 8.290 0.032 0.009 0.501 23 A N 0.236 123.081 122.820 0.042 0.000 2.272 23 A HA 0.205 nan 4.320 nan 0.000 0.275 23 A C 0.779 178.395 177.584 0.053 0.000 1.096 23 A CA -0.731 51.335 52.037 0.048 0.000 0.822 23 A CB 1.330 20.366 19.000 0.060 0.000 1.088 23 A HN -0.541 7.466 8.150 0.047 0.171 0.495 24 V N -1.977 117.968 119.914 0.051 0.000 2.323 24 V HA -0.128 nan 4.120 nan 0.000 0.244 24 V C 0.262 176.388 176.094 0.052 0.000 1.041 24 V CA 2.147 64.473 62.300 0.044 0.000 1.025 24 V CB 0.076 31.919 31.823 0.034 0.000 0.656 24 V HN 0.180 8.400 8.190 0.051 0.000 0.451 25 N N -1.948 116.797 118.700 0.076 0.000 2.489 25 N HA 0.108 nan 4.740 nan 0.000 0.284 25 N C -1.229 174.373 175.510 0.152 0.000 1.158 25 N CA -0.449 52.649 53.050 0.081 0.000 0.965 25 N CB 2.352 40.896 38.487 0.094 0.000 1.195 25 N HN -0.238 8.197 8.380 0.091 0.000 0.506 26 S N -1.298 114.490 115.700 0.147 0.000 2.573 26 S HA 0.050 nan 4.470 nan 0.000 0.277 26 S C 0.847 175.586 174.600 0.232 0.000 1.346 26 S CA 0.225 58.536 58.200 0.186 0.000 1.034 26 S CB 0.955 64.234 63.200 0.131 0.000 0.879 26 S HN -0.130 8.214 8.310 0.058 0.000 0.528 27 V N -3.837 116.166 119.914 0.148 0.000 3.133 27 V HA 0.288 nan 4.120 nan 0.000 0.305 27 V C 0.278 176.385 176.094 0.022 0.000 1.084 27 V CA -1.272 61.069 62.300 0.069 0.000 1.089 27 V CB 0.731 32.580 31.823 0.044 0.000 1.073 27 V HN 0.322 8.604 8.190 0.153 0.000 0.477 28 I N 1.582 122.098 120.570 -0.090 0.000 2.307 28 I HA 0.239 nan 4.170 nan 0.000 0.289 28 I C -1.044 175.012 176.117 -0.102 0.000 1.021 28 I CA -0.451 60.765 61.300 -0.141 0.000 1.224 28 I CB -0.145 37.684 38.000 -0.285 0.000 1.376 28 I HN 0.097 8.237 8.210 -0.117 0.000 0.470 29 Q N 9.037 128.786 119.800 -0.085 0.000 2.431 29 Q HA 0.264 nan 4.340 nan 0.000 0.249 29 Q C -1.384 174.572 176.000 -0.072 0.000 1.025 29 Q CA -1.596 54.166 55.803 -0.068 0.000 0.835 29 Q CB 1.586 30.293 28.738 -0.051 0.000 1.207 29 Q HN 0.667 8.879 8.270 -0.096 0.000 0.490 30 R N 7.088 127.546 120.500 -0.070 0.000 2.234 30 R HA 0.207 nan 4.340 nan 0.000 0.324 30 R C -1.111 175.151 176.300 -0.065 0.000 1.054 30 R CA 0.004 56.066 56.100 -0.062 0.000 0.912 30 R CB 0.444 30.705 30.300 -0.064 0.000 1.030 30 R HN 0.404 8.632 8.270 -0.071 0.000 0.455 31 A N 4.365 127.141 122.820 -0.074 0.000 2.594 31 A HA 0.354 nan 4.320 nan 0.000 0.296 31 A C -1.665 175.819 177.584 -0.166 0.000 1.056 31 A CA -0.335 51.640 52.037 -0.103 0.000 0.693 31 A CB 1.717 20.656 19.000 -0.102 0.000 1.278 31 A HN 0.211 8.325 8.150 -0.061 0.000 0.408 32 S N -0.415 115.175 115.700 -0.184 0.000 2.877 32 S HA 0.035 nan 4.470 nan 0.000 0.230 32 S C 0.115 174.543 174.600 -0.286 0.000 0.999 32 S CA -0.129 57.878 58.200 -0.321 0.000 0.866 32 S CB 0.900 64.001 63.200 -0.165 0.000 0.819 32 S HN 0.141 8.375 8.310 -0.127 0.000 0.607 33 S N 3.068 118.717 115.700 -0.085 0.000 2.531 33 S HA 0.045 nan 4.470 nan 0.000 0.279 33 S C -1.040 173.490 174.600 -0.118 0.000 1.305 33 S CA 1.253 59.434 58.200 -0.031 0.000 1.058 33 S CB 0.409 63.591 63.200 -0.029 0.000 0.899 33 S HN -0.206 8.064 8.310 -0.067 0.000 0.493 34 L N 5.995 127.105 121.223 -0.189 0.000 2.376 34 L HA 0.161 nan 4.340 nan 0.000 0.275 34 L C -1.016 175.515 176.870 -0.564 0.000 0.987 34 L CA -0.527 54.147 54.840 -0.276 0.000 0.828 34 L CB 2.219 44.162 42.059 -0.194 0.000 1.249 34 L HN 0.238 8.360 8.230 -0.180 0.000 0.409 35 V N 3.033 122.702 119.914 -0.409 0.000 2.583 35 V HA 0.029 nan 4.120 nan 0.000 0.287 35 V C 0.288 176.122 176.094 -0.433 0.000 1.051 35 V CA 0.042 62.092 62.300 -0.417 0.000 1.010 35 V CB 0.288 32.013 31.823 -0.162 0.000 0.988 35 V HN 0.087 8.127 8.190 -0.250 0.000 0.478 36 F N 3.365 123.337 119.950 0.036 0.000 2.411 36 F HA 0.181 nan 4.527 nan 0.000 0.352 36 F C 0.081 175.904 175.800 0.039 0.000 1.123 36 F CA -1.119 56.912 58.000 0.051 0.000 1.044 36 F CB 1.082 40.114 39.000 0.052 0.000 1.135 36 F HN 0.035 8.204 8.300 -0.218 0.000 0.461 37 D N 2.049 122.568 120.400 0.198 0.000 2.178 37 D HA -0.131 nan 4.640 nan 0.000 0.202 37 D C -0.111 176.256 176.300 0.111 0.000 0.974 37 D CA 1.806 55.876 54.000 0.118 0.000 0.841 37 D CB 0.329 41.181 40.800 0.087 0.000 0.953 37 D HN 0.541 9.040 8.370 0.216 0.000 0.478 38 S N -4.392 111.387 115.700 0.132 0.000 2.688 38 S HA 0.084 nan 4.470 nan 0.000 0.275 38 S C 0.368 175.015 174.600 0.079 0.000 1.175 38 S CA -1.142 57.111 58.200 0.089 0.000 0.818 38 S CB 2.725 65.961 63.200 0.059 0.000 1.157 38 S HN -0.659 7.736 8.310 0.174 0.020 0.482 39 V N 2.242 122.181 119.914 0.042 0.000 2.427 39 V HA -0.294 nan 4.120 nan 0.000 0.248 39 V C 1.991 178.085 176.094 -0.001 0.000 1.051 39 V CA 3.124 65.429 62.300 0.008 0.000 1.048 39 V CB -1.139 30.687 31.823 0.005 0.000 0.666 39 V HN 0.641 8.854 8.190 0.039 0.000 0.456 40 E N -0.420 119.792 120.200 0.020 0.000 2.077 40 E HA -0.263 nan 4.350 nan 0.000 0.193 40 E C 1.870 178.500 176.600 0.051 0.000 0.989 40 E CA 2.734 59.149 56.400 0.026 0.000 0.800 40 E CB -0.816 28.897 29.700 0.022 0.000 0.746 40 E HN 0.542 8.917 8.360 0.025 0.000 0.452 41 A N -0.207 122.656 122.820 0.071 0.000 1.877 41 A HA -0.333 nan 4.320 nan 0.000 0.216 41 A C 2.060 179.711 177.584 0.112 0.000 1.186 41 A CA 3.138 55.256 52.037 0.135 0.000 0.620 41 A CB -0.600 18.511 19.000 0.186 0.000 0.822 41 A HN -0.102 8.011 8.150 0.067 0.077 0.443 42 K N -0.958 119.399 120.400 -0.073 0.000 2.032 42 K HA -0.393 nan 4.320 nan 0.000 0.209 42 K C 2.096 178.518 176.600 -0.296 0.000 1.048 42 K CA 3.505 59.449 56.287 -0.572 0.000 0.927 42 K CB -0.090 32.022 32.500 -0.646 0.000 0.712 42 K HN -0.126 8.119 8.250 -0.010 0.000 0.441 43 K N -2.133 118.196 120.400 -0.118 0.000 2.057 43 K HA -0.296 nan 4.320 nan 0.000 0.207 43 K C 1.979 178.572 176.600 -0.011 0.000 1.049 43 K CA 2.788 59.041 56.287 -0.057 0.000 0.931 43 K CB -1.214 31.273 32.500 -0.022 0.000 0.714 43 K HN -0.146 8.052 8.250 -0.087 0.000 0.440 44 H N 0.661 119.712 119.070 -0.032 0.000 2.357 44 H HA -0.275 nan 4.556 nan 0.000 0.301 44 H C 1.978 177.318 175.328 0.019 0.000 1.082 44 H CA 3.852 59.898 56.048 -0.002 0.000 1.342 44 H CB 0.726 30.503 29.762 0.025 0.000 1.389 44 H HN -0.300 8.067 8.280 0.145 0.000 0.511 45 A N -1.887 120.989 122.820 0.094 0.000 1.902 45 A HA -0.254 nan 4.320 nan 0.000 0.217 45 A C 2.204 179.800 177.584 0.020 0.000 1.181 45 A CA 2.779 54.918 52.037 0.169 0.000 0.623 45 A CB -0.578 18.728 19.000 0.510 0.000 0.818 45 A HN -0.010 8.249 8.150 0.181 0.000 0.443 46 T N 1.261 115.802 114.554 -0.022 0.000 2.684 46 T HA -0.294 nan 4.350 nan 0.000 0.267 46 T C 2.236 176.736 174.700 -0.333 0.000 1.036 46 T CA 4.410 66.381 62.100 -0.215 0.000 1.148 46 T CB -0.148 68.673 68.868 -0.078 0.000 0.863 46 T HN -0.123 8.109 8.240 -0.012 0.000 0.436 47 R N 0.100 120.454 120.500 -0.242 0.000 2.127 47 R HA -0.202 nan 4.340 nan 0.000 0.238 47 R C 1.480 177.611 176.300 -0.281 0.000 1.134 47 R CA 2.517 58.473 56.100 -0.240 0.000 0.975 47 R CB -0.709 29.474 30.300 -0.196 0.000 0.865 47 R HN -0.274 7.881 8.270 -0.191 0.000 0.447 48 N N -2.288 116.216 118.700 -0.328 0.000 2.328 48 N HA 0.252 nan 4.740 nan 0.000 0.247 48 N C 0.633 175.991 175.510 -0.254 0.000 1.165 48 N CA -0.421 52.461 53.050 -0.280 0.000 0.873 48 N CB 1.013 39.318 38.487 -0.305 0.000 1.125 48 N HN -0.501 7.537 8.380 -0.344 0.135 0.513 49 R N 0.566 120.838 120.500 -0.379 0.000 2.152 49 R HA -0.210 nan 4.340 nan 0.000 0.232 49 R C -0.157 175.966 176.300 -0.296 0.000 1.117 49 R CA 3.090 58.913 56.100 -0.461 0.000 0.981 49 R CB -0.442 29.205 30.300 -1.089 0.000 0.870 49 R HN -0.549 7.386 8.270 -0.440 0.071 0.451 50 A N -4.800 117.843 122.820 -0.295 0.000 2.430 50 A HA 0.170 nan 4.320 nan 0.000 0.243 50 A C -1.380 176.113 177.584 -0.151 0.000 1.254 50 A CA -0.531 51.357 52.037 -0.249 0.000 0.914 50 A CB 0.415 19.211 19.000 -0.340 0.000 0.998 50 A HN -0.047 7.888 8.150 -0.312 0.027 0.515 51 N N -1.240 117.370 118.700 -0.151 0.000 2.598 51 N HA 0.159 nan 4.740 nan 0.000 0.309 51 N C 0.232 175.631 175.510 -0.185 0.000 1.645 51 N CA -0.236 52.755 53.050 -0.099 0.000 0.936 51 N CB -0.615 37.821 38.487 -0.084 0.000 1.323 51 N HN -0.595 7.470 8.380 -0.185 0.204 0.497 52 G N -0.821 107.749 108.800 -0.385 0.000 2.179 52 G HA2 -0.436 nan 3.960 nan 0.000 0.257 52 G HA3 -0.436 nan 3.960 nan 0.000 0.257 52 G C -0.542 174.060 174.900 -0.496 0.000 1.010 52 G CA 0.599 45.206 45.100 -0.822 0.000 0.736 52 G HN 0.260 8.346 8.290 -0.339 0.000 0.513 53 E N -0.236 119.874 120.200 -0.150 0.000 2.179 53 E HA 0.192 nan 4.350 nan 0.000 0.275 53 E C -0.485 176.326 176.600 0.352 0.000 0.945 53 E CA -1.679 54.797 56.400 0.127 0.000 0.792 53 E CB 2.077 31.832 29.700 0.093 0.000 1.125 53 E HN -0.706 7.533 8.360 -0.151 0.031 0.397 54 L N 3.443 124.931 121.223 0.442 0.000 2.534 54 L HA -0.120 nan 4.340 nan 0.000 0.271 54 L C -0.523 176.634 176.870 0.478 0.000 1.178 54 L CA 0.624 55.724 54.840 0.434 0.000 0.907 54 L CB -0.013 42.214 42.059 0.280 0.000 1.164 54 L HN 0.396 8.859 8.230 0.388 0.000 0.482 55 F N 5.901 126.027 119.950 0.293 0.000 2.244 55 F HA 0.189 nan 4.527 nan 0.000 0.272 55 F C -2.460 173.570 175.800 0.384 0.000 0.882 55 F CA 0.389 58.613 58.000 0.375 0.000 1.101 55 F CB 3.889 43.061 39.000 0.287 0.000 1.097 55 F HN 0.126 8.720 8.300 0.490 0.000 0.762 56 Y N -4.154 116.229 120.300 0.138 0.000 2.521 56 Y HA 0.087 nan 4.550 nan 0.000 0.332 56 Y C 0.087 176.033 175.900 0.078 0.000 1.121 56 Y CA -0.671 57.419 58.100 -0.015 0.000 1.037 56 Y CB 3.460 41.885 38.460 -0.058 0.000 1.330 56 Y HN -0.715 7.865 8.280 0.500 0.000 0.452 57 G N 4.852 113.216 108.800 -0.726 0.000 2.503 57 G HA2 -0.395 nan 3.960 nan 0.000 0.221 57 G HA3 -0.395 nan 3.960 nan 0.000 0.221 57 G C -0.382 174.287 174.900 -0.386 0.000 1.131 57 G CA 1.890 46.668 45.100 -0.537 0.000 0.756 57 G HN 0.738 8.327 8.290 -1.020 0.089 0.572 58 R N -1.052 119.232 120.500 -0.360 0.000 2.152 58 R HA -0.150 nan 4.340 nan 0.000 0.232 58 R C 0.960 177.395 176.300 0.226 0.000 1.117 58 R CA 2.048 58.162 56.100 0.023 0.000 0.981 58 R CB -0.443 29.999 30.300 0.237 0.000 0.870 58 R HN 0.006 7.748 8.270 -0.846 0.020 0.451 59 R N -4.376 116.295 120.500 0.285 0.000 2.119 59 R HA -0.040 nan 4.340 nan 0.000 0.222 59 R C 0.212 176.555 176.300 0.072 0.000 1.088 59 R CA 0.507 56.739 56.100 0.220 0.000 0.984 59 R CB 0.983 31.440 30.300 0.261 0.000 0.884 59 R HN -0.279 8.040 8.270 0.288 0.124 0.447 60 G N -2.176 106.546 108.800 -0.129 0.000 2.357 60 G HA2 -0.187 nan 3.960 nan 0.000 0.643 60 G HA3 -0.187 nan 3.960 nan 0.000 0.643 60 G C -2.741 171.896 174.900 -0.438 0.000 1.358 60 G CA -0.555 44.257 45.100 -0.481 0.000 0.986 60 G HN -0.657 7.484 8.290 -0.090 0.095 0.620 61 T N -5.189 109.113 114.554 -0.421 0.000 2.807 61 T HA 0.807 nan 4.350 nan 0.000 0.277 61 T C 1.118 175.296 174.700 -0.871 0.000 1.006 61 T CA -2.780 59.035 62.100 -0.476 0.000 1.006 61 T CB 3.232 72.025 68.868 -0.125 0.000 1.274 61 T HN -0.158 8.129 8.240 0.078 0.000 0.569 62 L N -0.507 120.475 121.223 -0.402 0.000 2.081 62 L HA -0.409 nan 4.340 nan 0.000 0.212 62 L C 1.920 178.652 176.870 -0.230 0.000 1.080 62 L CA 4.042 58.807 54.840 -0.126 0.000 0.754 62 L CB -0.726 41.431 42.059 0.164 0.000 0.893 62 L HN 0.206 8.607 8.230 -0.198 -0.290 0.433 63 T N -0.219 114.201 114.554 -0.223 0.000 2.746 63 T HA -0.325 nan 4.350 nan 0.000 0.267 63 T C 2.215 176.731 174.700 -0.306 0.000 1.039 63 T CA 4.554 66.514 62.100 -0.233 0.000 1.142 63 T CB -0.607 68.117 68.868 -0.240 0.000 0.866 63 T HN -0.496 7.610 8.240 -0.195 0.018 0.444 64 H N 1.926 120.834 119.070 -0.271 0.000 2.357 64 H HA -0.230 nan 4.556 nan 0.000 0.301 64 H C 2.220 177.507 175.328 -0.067 0.000 1.082 64 H CA 3.587 59.534 56.048 -0.168 0.000 1.342 64 H CB -0.124 29.535 29.762 -0.170 0.000 1.389 64 H HN -0.644 7.465 8.280 -0.285 0.000 0.511 65 F N -0.854 119.067 119.950 -0.048 0.000 2.126 65 F HA -0.271 nan 4.527 nan 0.000 0.299 65 F C 2.470 177.987 175.800 -0.472 0.000 1.096 65 F CA 1.252 59.146 58.000 -0.176 0.000 1.255 65 F CB -1.543 37.407 39.000 -0.084 0.000 0.997 65 F HN 0.017 8.078 8.300 -0.398 0.000 0.479 66 S N -0.756 114.543 115.700 -0.670 0.000 2.356 66 S HA -0.306 nan 4.470 nan 0.000 0.223 66 S C 2.063 176.535 174.600 -0.214 0.000 1.032 66 S CA 3.681 61.469 58.200 -0.686 0.000 1.005 66 S CB -0.129 62.740 63.200 -0.551 0.000 0.867 66 S HN -0.240 7.681 8.310 -0.648 0.000 0.449 67 L N 1.126 122.266 121.223 -0.139 0.000 2.056 67 L HA -0.305 nan 4.340 nan 0.000 0.207 67 L C 1.289 178.150 176.870 -0.014 0.000 1.078 67 L CA 2.909 57.713 54.840 -0.060 0.000 0.749 67 L CB -0.328 41.703 42.059 -0.045 0.000 0.901 67 L HN -0.777 7.355 8.230 -0.164 0.000 0.433 68 Q N -1.867 117.944 119.800 0.020 0.000 2.084 68 Q HA -0.490 nan 4.340 nan 0.000 0.202 68 Q C 2.352 178.351 176.000 -0.002 0.000 0.978 68 Q CA 3.634 59.458 55.803 0.036 0.000 0.844 68 Q CB -0.332 28.464 28.738 0.097 0.000 0.898 68 Q HN 0.104 8.393 8.270 0.032 0.000 0.426 69 Q N -0.024 119.779 119.800 0.005 0.000 2.084 69 Q HA -0.340 nan 4.340 nan 0.000 0.202 69 Q C 2.119 178.123 176.000 0.008 0.000 0.978 69 Q CA 3.051 58.866 55.803 0.019 0.000 0.844 69 Q CB -0.103 28.695 28.738 0.100 0.000 0.898 69 Q HN -0.140 8.130 8.270 -0.001 0.000 0.426 70 A N 0.022 122.845 122.820 0.005 0.000 1.902 70 A HA -0.305 nan 4.320 nan 0.000 0.217 70 A C 2.434 180.016 177.584 -0.003 0.000 1.181 70 A CA 3.204 55.243 52.037 0.003 0.000 0.623 70 A CB -0.746 18.251 19.000 -0.005 0.000 0.818 70 A HN -0.278 7.869 8.150 -0.006 0.000 0.443 71 M N -2.635 116.962 119.600 -0.005 0.000 2.117 71 M HA -0.272 nan 4.480 nan 0.000 0.262 71 M C 2.348 178.635 176.300 -0.022 0.000 1.065 71 M CA 2.116 57.415 55.300 -0.002 0.000 1.114 71 M CB -1.346 31.261 32.600 0.012 0.000 1.361 71 M HN -0.156 8.132 8.290 -0.005 0.000 0.408 72 C N -1.105 118.167 119.300 -0.047 0.000 2.425 72 C HA -0.338 nan 4.460 nan 0.000 0.277 72 C C 2.310 177.265 174.990 -0.059 0.000 1.280 72 C CA 4.102 63.071 59.018 -0.082 0.000 1.744 72 C CB -1.800 25.859 27.740 -0.134 0.000 1.989 72 C HN 0.020 8.223 8.230 -0.045 0.000 0.491 73 E N 0.479 120.657 120.200 -0.037 0.000 2.152 73 E HA -0.293 nan 4.350 nan 0.000 0.192 73 E C 1.392 177.979 176.600 -0.021 0.000 0.983 73 E CA 2.389 58.773 56.400 -0.027 0.000 0.818 73 E CB -0.637 29.055 29.700 -0.013 0.000 0.758 73 E HN -0.485 7.858 8.360 -0.029 0.000 0.467 74 L N -1.819 119.397 121.223 -0.013 0.000 2.056 74 L HA -0.178 nan 4.340 nan 0.000 0.207 74 L C 2.258 179.122 176.870 -0.010 0.000 1.078 74 L CA 2.167 57.004 54.840 -0.005 0.000 0.749 74 L CB 0.322 42.386 42.059 0.008 0.000 0.901 74 L HN -0.227 7.997 8.230 -0.011 0.000 0.433 75 E N -4.657 115.534 120.200 -0.015 0.000 2.474 75 E HA 0.104 nan 4.350 nan 0.000 0.195 75 E C 0.570 177.146 176.600 -0.040 0.000 1.039 75 E CA -0.291 56.097 56.400 -0.019 0.000 0.881 75 E CB 0.886 30.584 29.700 -0.003 0.000 0.970 75 E HN -0.163 8.187 8.360 -0.016 0.000 0.486 76 G N -0.151 108.621 108.800 -0.047 0.000 2.298 76 G HA2 -0.343 nan 3.960 nan 0.000 0.287 76 G HA3 -0.343 nan 3.960 nan 0.000 0.287 76 G C -0.678 174.181 174.900 -0.067 0.000 1.075 76 G CA 0.404 45.469 45.100 -0.058 0.000 0.960 76 G HN -0.143 7.970 8.290 -0.042 0.152 0.502 77 G N -3.267 105.482 108.800 -0.084 0.000 2.597 77 G HA2 0.415 nan 3.960 nan 0.000 0.317 77 G HA3 0.415 nan 3.960 nan 0.000 0.317 77 G C -1.337 173.458 174.900 -0.175 0.000 1.230 77 G CA -1.581 43.455 45.100 -0.108 0.000 0.996 77 G HN -0.659 7.580 8.290 -0.085 0.000 0.490 78 A N -0.661 122.029 122.820 -0.217 0.000 2.030 78 A HA 0.177 nan 4.320 nan 0.000 0.215 78 A C -0.390 176.706 177.584 -0.814 0.000 1.164 78 A CA 0.644 52.487 52.037 -0.324 0.000 0.697 78 A CB 0.960 19.881 19.000 -0.131 0.000 0.827 78 A HN 0.296 8.352 8.150 -0.156 0.000 0.457 79 G N -4.452 103.773 108.800 -0.958 0.000 2.646 79 G HA2 0.092 nan 3.960 nan 0.000 0.291 79 G HA3 0.092 nan 3.960 nan 0.000 0.291 79 G C -3.393 171.142 174.900 -0.608 0.000 1.445 79 G CA 0.009 44.213 45.100 -1.492 0.000 0.814 79 G HN -0.788 7.157 8.290 -0.576 0.000 0.495 80 C N 0.676 119.813 119.300 -0.270 0.000 2.431 80 C HA 0.862 nan 4.460 nan 0.000 0.321 80 C C -0.106 174.978 174.990 0.157 0.000 1.202 80 C CA -1.510 57.510 59.018 0.003 0.000 1.398 80 C CB 0.377 28.117 27.740 0.001 0.000 2.047 80 C HN 0.238 8.314 8.230 -0.257 0.000 0.465 81 V N 8.948 128.990 119.914 0.212 0.000 2.483 81 V HA 0.418 nan 4.120 nan 0.000 0.295 81 V C -1.653 174.443 176.094 0.003 0.000 1.035 81 V CA -1.062 61.313 62.300 0.126 0.000 0.896 81 V CB 2.612 34.540 31.823 0.174 0.000 0.986 81 V HN 0.921 9.256 8.190 0.241 0.000 0.447 82 L N 3.527 124.634 121.223 -0.194 0.000 2.334 82 L HA 0.713 nan 4.340 nan 0.000 0.275 82 L C -0.680 175.906 176.870 -0.473 0.000 1.036 82 L CA -0.562 54.197 54.840 -0.134 0.000 0.807 82 L CB 1.680 43.752 42.059 0.021 0.000 1.231 82 L HN 0.090 8.207 8.230 -0.188 0.000 0.438 83 F N 0.057 120.051 119.950 0.074 0.000 2.629 83 F HA 0.497 nan 4.527 nan 0.000 0.316 83 F C -1.551 174.271 175.800 0.037 0.000 1.081 83 F CA -2.492 55.538 58.000 0.051 0.000 0.954 83 F CB 1.171 40.195 39.000 0.040 0.000 1.337 83 F HN 0.458 8.926 8.300 0.279 0.000 0.474 84 P HA -0.068 nan 4.420 nan 0.000 0.220 84 P C -1.626 175.731 177.300 0.095 0.000 1.148 84 P CA 2.078 65.249 63.100 0.119 0.000 0.803 84 P CB -0.221 31.536 31.700 0.094 0.000 0.782 85 C N -9.330 110.035 119.300 0.108 0.000 3.259 85 C HA 0.260 nan 4.460 nan 0.000 0.344 85 C C 0.908 175.910 174.990 0.021 0.000 1.401 85 C CA -2.721 56.324 59.018 0.046 0.000 1.219 85 C CB 3.264 31.015 27.740 0.019 0.000 1.521 85 C HN -0.733 7.564 8.230 0.163 0.030 0.455 86 G N -0.890 107.892 108.800 -0.031 0.000 2.422 86 G HA2 -0.384 nan 3.960 nan 0.000 0.218 86 G HA3 -0.384 nan 3.960 nan 0.000 0.218 86 G C 0.291 175.147 174.900 -0.074 0.000 1.146 86 G CA 2.666 47.725 45.100 -0.068 0.000 0.769 86 G HN 0.734 8.996 8.290 -0.046 0.000 0.547 87 A N 0.805 123.608 122.820 -0.028 0.000 1.933 87 A HA -0.159 nan 4.320 nan 0.000 0.218 87 A C 1.517 179.023 177.584 -0.129 0.000 1.175 87 A CA 2.431 54.459 52.037 -0.014 0.000 0.628 87 A CB -0.799 18.230 19.000 0.049 0.000 0.814 87 A HN -0.104 8.040 8.150 -0.011 0.000 0.444 88 A N -2.193 120.561 122.820 -0.109 0.000 1.930 88 A HA -0.251 nan 4.320 nan 0.000 0.217 88 A C 1.853 179.185 177.584 -0.421 0.000 1.175 88 A CA 2.604 54.559 52.037 -0.136 0.000 0.627 88 A CB -0.743 18.287 19.000 0.051 0.000 0.815 88 A HN -0.528 7.593 8.150 -0.048 0.000 0.443 89 A N -1.584 120.886 122.820 -0.584 0.000 1.902 89 A HA -0.283 nan 4.320 nan 0.000 0.217 89 A C 2.062 179.252 177.584 -0.657 0.000 1.181 89 A CA 3.174 54.490 52.037 -1.201 0.000 0.623 89 A CB -0.611 18.018 19.000 -0.619 0.000 0.818 89 A HN -0.371 7.513 8.150 -0.300 0.086 0.443 90 V N -0.678 119.041 119.914 -0.325 0.000 2.244 90 V HA -0.474 nan 4.120 nan 0.000 0.244 90 V C 1.922 177.801 176.094 -0.359 0.000 1.042 90 V CA 4.472 66.670 62.300 -0.169 0.000 1.006 90 V CB -1.065 30.720 31.823 -0.063 0.000 0.641 90 V HN -0.162 7.869 8.190 -0.265 0.000 0.446 91 A N -1.833 120.618 122.820 -0.614 0.000 1.883 91 A HA -0.432 nan 4.320 nan 0.000 0.217 91 A C 2.007 179.205 177.584 -0.644 0.000 1.186 91 A CA 3.430 54.734 52.037 -1.221 0.000 0.624 91 A CB -0.642 17.593 19.000 -1.275 0.000 0.822 91 A HN 0.162 8.017 8.150 -0.493 0.000 0.444 92 N N -2.295 116.190 118.700 -0.359 0.000 2.270 92 N HA -0.201 nan 4.740 nan 0.000 0.181 92 N C 2.455 177.976 175.510 0.018 0.000 1.016 92 N CA 3.121 56.118 53.050 -0.089 0.000 0.870 92 N CB -0.039 38.519 38.487 0.119 0.000 0.979 92 N HN 0.064 8.193 8.380 -0.418 0.000 0.431 93 S N 1.759 117.433 115.700 -0.043 0.000 2.368 93 S HA -0.239 nan 4.470 nan 0.000 0.224 93 S C 1.722 176.501 174.600 0.299 0.000 1.029 93 S CA 3.981 62.287 58.200 0.177 0.000 0.988 93 S CB -0.051 63.243 63.200 0.156 0.000 0.838 93 S HN -0.317 7.855 8.310 -0.231 0.000 0.462 94 I N 1.155 121.845 120.570 0.200 0.000 2.163 94 I HA -0.448 nan 4.170 nan 0.000 0.240 94 I C 1.817 178.104 176.117 0.284 0.000 1.081 94 I CA 3.807 65.274 61.300 0.279 0.000 1.353 94 I CB 0.101 38.268 38.000 0.278 0.000 1.054 94 I HN -0.481 7.767 8.210 0.062 0.000 0.407 95 L N -0.152 121.211 121.223 0.232 0.000 2.127 95 L HA -0.336 nan 4.340 nan 0.000 0.211 95 L C 1.562 178.495 176.870 0.104 0.000 1.089 95 L CA 2.845 57.806 54.840 0.201 0.000 0.757 95 L CB -0.429 41.740 42.059 0.185 0.000 0.899 95 L HN -0.176 8.151 8.230 0.162 0.000 0.434 96 A N -1.567 121.281 122.820 0.045 0.000 2.019 96 A HA -0.199 nan 4.320 nan 0.000 0.219 96 A C 1.062 178.414 177.584 -0.387 0.000 1.164 96 A CA 2.621 54.541 52.037 -0.195 0.000 0.644 96 A CB -0.319 18.488 19.000 -0.322 0.000 0.805 96 A HN -0.143 8.051 8.150 0.100 0.016 0.449 97 F N -5.953 114.054 119.950 0.094 0.000 2.720 97 F HA 0.129 nan 4.527 nan 0.000 0.301 97 F C -0.625 175.215 175.800 0.065 0.000 1.103 97 F CA 0.058 58.105 58.000 0.078 0.000 1.291 97 F CB 1.351 40.401 39.000 0.084 0.000 1.086 97 F HN -0.659 7.768 8.300 0.267 0.034 0.592 98 I N -4.635 116.058 120.570 0.206 0.000 2.834 98 I HA 0.145 nan 4.170 nan 0.000 0.305 98 I C -0.690 175.480 176.117 0.088 0.000 1.008 98 I CA -1.967 59.415 61.300 0.137 0.000 1.273 98 I CB 0.859 38.926 38.000 0.111 0.000 1.432 98 I HN -0.765 7.562 8.210 0.195 0.000 0.557 99 E N 0.480 120.721 120.200 0.069 0.000 2.390 99 E HA 0.193 nan 4.350 nan 0.000 0.277 99 E C -2.139 174.483 176.600 0.037 0.000 0.939 99 E CA -2.072 54.357 56.400 0.048 0.000 0.769 99 E CB 3.681 33.410 29.700 0.048 0.000 1.251 99 E HN 0.037 8.626 8.360 0.069 -0.188 0.450 100 Q N 1.642 121.459 119.800 0.027 0.000 2.304 100 Q HA -0.501 nan 4.340 nan 0.000 0.315 100 Q C 0.617 176.631 176.000 0.022 0.000 1.075 100 Q CA 2.242 58.057 55.803 0.019 0.000 0.988 100 Q CB -0.277 28.470 28.738 0.015 0.000 1.146 100 Q HN 0.262 8.548 8.270 0.026 0.000 0.383 101 G N 6.207 115.020 108.800 0.021 0.000 2.194 101 G HA2 -0.475 nan 3.960 nan 0.000 0.236 101 G HA3 -0.475 nan 3.960 nan 0.000 0.236 101 G C -0.365 174.559 174.900 0.040 0.000 0.987 101 G CA -0.311 44.804 45.100 0.025 0.000 0.635 101 G HN 0.737 8.921 8.290 0.016 0.116 0.520 102 D N 1.579 122.007 120.400 0.046 0.000 2.377 102 D HA 0.327 nan 4.640 nan 0.000 0.245 102 D C -1.976 174.380 176.300 0.093 0.000 1.196 102 D CA 0.241 54.280 54.000 0.065 0.000 0.962 102 D CB 1.071 41.906 40.800 0.058 0.000 1.127 102 D HN -0.463 7.866 8.370 0.038 0.064 0.471 103 H N -1.614 117.450 119.070 -0.011 0.000 2.600 103 H HA 0.656 nan 4.556 nan 0.000 0.357 103 H C -2.081 173.226 175.328 -0.034 0.000 1.106 103 H CA -0.958 55.070 56.048 -0.033 0.000 1.193 103 H CB 3.295 33.040 29.762 -0.027 0.000 1.594 103 H HN 0.004 8.363 8.280 0.132 0.000 0.526 104 V N 5.915 125.448 119.914 -0.635 0.000 2.495 104 V HA 0.517 nan 4.120 nan 0.000 0.298 104 V C -2.108 173.543 176.094 -0.737 0.000 1.031 104 V CA -1.243 60.752 62.300 -0.509 0.000 0.871 104 V CB 2.370 34.020 31.823 -0.290 0.000 0.988 104 V HN 0.820 8.683 8.190 -0.545 0.000 0.432 105 L N 7.858 128.820 121.223 -0.435 0.000 2.298 105 L HA 0.903 nan 4.340 nan 0.000 0.284 105 L C -2.621 174.286 176.870 0.061 0.000 1.013 105 L CA -1.084 53.636 54.840 -0.201 0.000 0.824 105 L CB 2.989 45.026 42.059 -0.038 0.000 1.221 105 L HN 0.520 8.593 8.230 -0.261 0.000 0.418 106 M N 7.403 127.001 119.600 -0.003 0.000 2.464 106 M HA 0.593 nan 4.480 nan 0.000 0.308 106 M C -1.972 174.296 176.300 -0.054 0.000 1.127 106 M CA -1.737 53.632 55.300 0.115 0.000 0.913 106 M CB 4.522 37.095 32.600 -0.044 0.000 1.689 106 M HN 0.445 8.607 8.290 -0.213 0.000 0.445 107 T N 4.052 118.403 114.554 -0.339 0.000 2.940 107 T HA -0.036 nan 4.350 nan 0.000 0.309 107 T C 1.586 176.212 174.700 -0.124 0.000 1.056 107 T CA 0.963 62.586 62.100 -0.796 0.000 1.137 107 T CB 0.660 69.307 68.868 -0.367 0.000 0.976 107 T HN 0.301 8.556 8.240 0.023 0.000 0.547 108 N N 7.118 125.738 118.700 -0.133 0.000 2.521 108 N HA -0.092 nan 4.740 nan 0.000 0.188 108 N C 0.581 176.049 175.510 -0.069 0.000 1.146 108 N CA 1.608 54.635 53.050 -0.039 0.000 0.893 108 N CB -0.434 38.015 38.487 -0.064 0.000 0.975 108 N HN 0.235 8.440 8.380 -0.291 0.000 0.451 109 T N -6.458 108.072 114.554 -0.039 0.000 3.145 109 T HA 0.241 nan 4.350 nan 0.000 0.255 109 T C -0.336 174.390 174.700 0.043 0.000 1.039 109 T CA -1.783 60.305 62.100 -0.019 0.000 0.928 109 T CB -0.786 68.055 68.868 -0.046 0.000 1.029 109 T HN -0.772 7.365 8.240 -0.061 0.066 0.554 110 A N 2.212 125.092 122.820 0.099 0.000 2.425 110 A HA -0.034 nan 4.320 nan 0.000 0.242 110 A C -1.026 176.675 177.584 0.195 0.000 1.077 110 A CA -0.010 52.153 52.037 0.210 0.000 0.781 110 A CB 0.566 19.734 19.000 0.279 0.000 1.020 110 A HN -0.704 7.413 8.150 0.082 0.082 0.494 111 Y N 3.087 123.459 120.300 0.120 0.000 2.805 111 Y HA -0.262 nan 4.550 nan 0.000 0.331 111 Y C 0.684 176.610 175.900 0.043 0.000 1.241 111 Y CA 0.212 58.366 58.100 0.091 0.000 1.546 111 Y CB 1.443 39.980 38.460 0.129 0.000 1.248 111 Y HN 0.022 8.888 8.280 0.429 -0.328 0.559 112 E N 8.006 128.007 120.200 -0.331 0.000 2.065 112 E HA -0.429 nan 4.350 nan 0.000 0.201 112 E C -0.313 176.094 176.600 -0.322 0.000 1.016 112 E CA 5.003 61.210 56.400 -0.322 0.000 0.818 112 E CB -1.289 28.222 29.700 -0.315 0.000 0.749 112 E HN 0.630 8.814 8.360 -0.294 0.000 0.453 113 P HA -0.184 nan 4.420 nan 0.000 0.217 113 P C 1.877 179.160 177.300 -0.028 0.000 1.148 113 P CA 2.916 65.864 63.100 -0.253 0.000 0.828 113 P CB -0.465 31.067 31.700 -0.281 0.000 0.783 114 S N -1.966 113.753 115.700 0.032 0.000 2.368 114 S HA -0.293 nan 4.470 nan 0.000 0.224 114 S C 2.230 176.907 174.600 0.128 0.000 1.029 114 S CA 3.846 62.097 58.200 0.085 0.000 0.988 114 S CB -0.620 62.611 63.200 0.052 0.000 0.838 114 S HN -0.134 8.075 8.310 0.008 0.105 0.462 115 Q N 1.843 121.709 119.800 0.109 0.000 2.046 115 Q HA -0.277 nan 4.340 nan 0.000 0.200 115 Q C 2.298 178.396 176.000 0.162 0.000 0.975 115 Q CA 3.233 59.160 55.803 0.207 0.000 0.836 115 Q CB -0.173 28.523 28.738 -0.071 0.000 0.896 115 Q HN -0.710 7.495 8.270 0.036 0.086 0.428 116 D N 0.204 120.633 120.400 0.048 0.000 2.144 116 D HA -0.257 nan 4.640 nan 0.000 0.199 116 D C 2.122 178.461 176.300 0.065 0.000 0.984 116 D CA 3.281 57.298 54.000 0.029 0.000 0.834 116 D CB -0.499 40.290 40.800 -0.018 0.000 0.955 116 D HN -0.068 8.299 8.370 -0.005 0.000 0.465 117 F N 1.159 121.100 119.950 -0.015 0.000 2.095 117 F HA -0.372 nan 4.527 nan 0.000 0.298 117 F C 1.555 177.353 175.800 -0.004 0.000 1.104 117 F CA 3.664 61.654 58.000 -0.018 0.000 1.232 117 F CB -0.078 38.899 39.000 -0.038 0.000 0.987 117 F HN -0.215 8.222 8.300 0.228 0.000 0.475 118 C N -1.163 117.987 119.300 -0.249 0.000 2.453 118 C HA -0.404 nan 4.460 nan 0.000 0.277 118 C C 2.079 176.955 174.990 -0.190 0.000 1.262 118 C CA 3.815 62.635 59.018 -0.331 0.000 1.718 118 C CB -1.600 26.061 27.740 -0.131 0.000 2.031 118 C HN -0.390 7.881 8.230 0.069 0.000 0.480 119 S N -1.025 114.675 115.700 -0.000 0.000 2.428 119 S HA -0.237 nan 4.470 nan 0.000 0.230 119 S C 1.465 176.042 174.600 -0.038 0.000 1.014 119 S CA 3.285 61.505 58.200 0.033 0.000 0.957 119 S CB -0.226 63.045 63.200 0.119 0.000 0.784 119 S HN 0.047 8.407 8.310 0.084 0.000 0.499 120 K N -1.112 119.243 120.400 -0.075 0.000 2.313 120 K HA 0.065 nan 4.320 nan 0.000 0.197 120 K C 0.714 177.253 176.600 -0.101 0.000 1.061 120 K CA 1.842 58.089 56.287 -0.066 0.000 0.980 120 K CB 1.499 33.980 32.500 -0.032 0.000 0.888 120 K HN -0.249 7.950 8.250 -0.085 0.000 0.502 121 I N -2.696 117.751 120.570 -0.205 0.000 2.900 121 I HA -0.065 nan 4.170 nan 0.000 0.251 121 I C 1.999 177.957 176.117 -0.264 0.000 1.102 121 I CA 0.257 61.429 61.300 -0.212 0.000 1.457 121 I CB 0.717 38.594 38.000 -0.205 0.000 1.285 121 I HN -0.240 7.795 8.210 -0.292 0.000 0.459 122 L N -0.350 120.593 121.223 -0.466 0.000 2.079 122 L HA -0.405 nan 4.340 nan 0.000 0.210 122 L C 2.436 179.204 176.870 -0.170 0.000 1.081 122 L CA 3.382 58.028 54.840 -0.322 0.000 0.752 122 L CB -0.775 41.046 42.059 -0.397 0.000 0.896 122 L HN -0.455 7.334 8.230 -0.735 0.000 0.433 123 S N -0.760 114.851 115.700 -0.149 0.000 2.387 123 S HA -0.343 nan 4.470 nan 0.000 0.230 123 S C 1.478 176.045 174.600 -0.055 0.000 1.035 123 S CA 3.370 61.523 58.200 -0.079 0.000 1.014 123 S CB -0.448 62.719 63.200 -0.054 0.000 0.836 123 S HN -0.228 7.961 8.310 -0.184 0.011 0.466 124 K N 0.433 120.798 120.400 -0.058 0.000 2.525 124 K HA -0.048 nan 4.320 nan 0.000 0.192 124 K C 0.353 176.937 176.600 -0.028 0.000 1.029 124 K CA 1.775 58.041 56.287 -0.035 0.000 1.029 124 K CB -0.366 32.116 32.500 -0.029 0.000 0.814 124 K HN -0.620 7.570 8.250 -0.078 0.013 0.503 125 L N -2.134 119.067 121.223 -0.037 0.000 2.818 125 L HA 0.266 nan 4.340 nan 0.000 0.243 125 L C -0.027 176.833 176.870 -0.015 0.000 1.185 125 L CA -0.821 54.007 54.840 -0.021 0.000 0.988 125 L CB -0.403 41.644 42.059 -0.020 0.000 1.292 125 L HN -0.443 7.559 8.230 -0.057 0.194 0.519 126 G N -1.667 107.122 108.800 -0.018 0.000 2.176 126 G HA2 -0.368 nan 3.960 nan 0.000 0.252 126 G HA3 -0.368 nan 3.960 nan 0.000 0.252 126 G C -1.049 173.846 174.900 -0.007 0.000 1.024 126 G CA 0.608 45.703 45.100 -0.009 0.000 0.755 126 G HN -0.629 7.572 8.290 -0.023 0.076 0.507 127 V N -0.198 119.701 119.914 -0.024 0.000 2.513 127 V HA 0.599 nan 4.120 nan 0.000 0.299 127 V C -0.467 175.607 176.094 -0.034 0.000 1.035 127 V CA -1.243 61.042 62.300 -0.024 0.000 0.889 127 V CB 1.459 33.255 31.823 -0.045 0.000 0.988 127 V HN -0.742 7.425 8.190 -0.040 0.000 0.440 128 T N 4.476 119.031 114.554 0.001 0.000 2.925 128 T HA 0.435 nan 4.350 nan 0.000 0.285 128 T C -0.965 173.720 174.700 -0.025 0.000 1.021 128 T CA -2.256 59.853 62.100 0.015 0.000 1.042 128 T CB 2.336 71.248 68.868 0.072 0.000 1.037 128 T HN 0.265 8.524 8.240 0.032 0.000 0.481 129 T N 3.556 118.045 114.554 -0.109 0.000 2.886 129 T HA 0.753 nan 4.350 nan 0.000 0.292 129 T C -1.556 172.891 174.700 -0.422 0.000 1.012 129 T CA -0.438 61.443 62.100 -0.366 0.000 0.982 129 T CB 2.413 70.949 68.868 -0.553 0.000 1.018 129 T HN 0.151 8.351 8.240 -0.067 0.000 0.451 130 S N 4.159 119.567 115.700 -0.486 0.000 2.634 130 S HA 0.609 nan 4.470 nan 0.000 0.296 130 S C -1.891 172.310 174.600 -0.665 0.000 1.104 130 S CA -1.621 56.354 58.200 -0.376 0.000 0.920 130 S CB 3.228 66.501 63.200 0.121 0.000 1.111 130 S HN 0.314 8.329 8.310 -0.491 0.000 0.493 131 W N -1.720 119.610 121.300 0.049 0.000 2.820 131 W HA 0.719 nan 4.660 nan 0.000 0.350 131 W C -0.913 175.574 176.519 -0.052 0.000 1.116 131 W CA -0.762 56.577 57.345 -0.009 0.000 1.146 131 W CB 2.844 32.269 29.460 -0.058 0.000 1.433 131 W HN -0.369 8.179 8.180 0.208 -0.244 0.561 132 F N -3.421 116.552 119.950 0.039 0.000 2.599 132 F HA 0.416 nan 4.527 nan 0.000 0.311 132 F C -2.087 173.740 175.800 0.045 0.000 1.076 132 F CA -2.063 55.855 58.000 -0.137 0.000 0.937 132 F CB 3.644 42.479 39.000 -0.275 0.000 1.282 132 F HN 0.118 8.348 8.300 -0.117 0.000 0.460 133 D N 1.598 122.145 120.400 0.244 0.000 2.425 133 D HA 0.097 nan 4.640 nan 0.000 0.247 133 D C -0.087 176.383 176.300 0.283 0.000 1.147 133 D CA -1.976 52.138 54.000 0.189 0.000 0.879 133 D CB 1.417 42.340 40.800 0.204 0.000 1.179 133 D HN 0.413 8.963 8.370 0.300 0.000 0.456 134 P HA -0.141 nan 4.420 nan 0.000 0.217 134 P C 0.606 178.152 177.300 0.411 0.000 1.148 134 P CA 2.036 65.351 63.100 0.358 0.000 0.828 134 P CB 0.318 32.095 31.700 0.129 0.000 0.783 135 L N -5.724 115.658 121.223 0.265 0.000 2.629 135 L HA 0.048 nan 4.340 nan 0.000 0.230 135 L C 0.566 177.549 176.870 0.189 0.000 1.151 135 L CA -0.211 54.765 54.840 0.226 0.000 0.924 135 L CB -0.755 41.430 42.059 0.209 0.000 1.137 135 L HN -0.343 8.248 8.230 0.221 -0.229 0.457 136 I N -1.500 119.199 120.570 0.214 0.000 2.361 136 I HA -0.346 nan 4.170 nan 0.000 0.251 136 I C 0.881 177.042 176.117 0.074 0.000 1.133 136 I CA 1.628 63.027 61.300 0.165 0.000 1.413 136 I CB 0.700 38.834 38.000 0.223 0.000 1.073 136 I HN -0.326 7.987 8.210 0.295 0.073 0.424 137 G N -3.076 105.736 108.800 0.019 0.000 2.611 137 G HA2 -0.507 nan 3.960 nan 0.000 0.301 137 G HA3 -0.507 nan 3.960 nan 0.000 0.301 137 G C 0.400 175.265 174.900 -0.058 0.000 1.233 137 G CA 1.045 46.113 45.100 -0.054 0.000 0.993 137 G HN -0.328 7.988 8.290 0.044 0.000 0.553 138 A N 2.792 125.591 122.820 -0.035 0.000 2.070 138 A HA -0.163 nan 4.320 nan 0.000 0.220 138 A C 1.542 179.108 177.584 -0.031 0.000 1.159 138 A CA 2.387 54.404 52.037 -0.033 0.000 0.656 138 A CB -0.302 18.691 19.000 -0.012 0.000 0.800 138 A HN 0.502 8.640 8.150 -0.019 0.000 0.453 139 D N -1.219 119.174 120.400 -0.012 0.000 2.378 139 D HA -0.118 nan 4.640 nan 0.000 0.227 139 D C 1.659 177.948 176.300 -0.019 0.000 1.012 139 D CA 2.013 56.008 54.000 -0.009 0.000 0.905 139 D CB -0.560 40.252 40.800 0.020 0.000 0.895 139 D HN -0.580 7.748 8.370 0.004 0.044 0.532 140 I N 0.610 121.152 120.570 -0.046 0.000 2.530 140 I HA -0.370 nan 4.170 nan 0.000 0.257 140 I C 1.376 177.461 176.117 -0.053 0.000 1.179 140 I CA 2.511 63.767 61.300 -0.074 0.000 1.440 140 I CB 0.068 37.887 38.000 -0.303 0.000 1.087 140 I HN -0.474 7.619 8.210 -0.068 0.077 0.440 141 V N -3.472 116.404 119.914 -0.064 0.000 2.546 141 V HA -0.433 nan 4.120 nan 0.000 0.254 141 V C 1.903 177.954 176.094 -0.071 0.000 1.076 141 V CA 3.026 65.292 62.300 -0.057 0.000 1.087 141 V CB -1.367 30.427 31.823 -0.048 0.000 0.674 141 V HN -0.582 7.526 8.190 -0.063 0.045 0.470 142 K N -0.917 119.407 120.400 -0.126 0.000 2.362 142 K HA -0.221 nan 4.320 nan 0.000 0.200 142 K C 1.516 177.951 176.600 -0.275 0.000 1.046 142 K CA 2.462 58.619 56.287 -0.216 0.000 0.952 142 K CB -0.244 32.075 32.500 -0.302 0.000 0.753 142 K HN -0.155 7.997 8.250 -0.116 0.027 0.466 143 H N -4.699 114.360 119.070 -0.018 0.000 2.648 143 H HA 0.007 nan 4.556 nan 0.000 0.265 143 H C -0.606 174.732 175.328 0.016 0.000 0.961 143 H CA -0.300 55.754 56.048 0.011 0.000 1.185 143 H CB 1.007 30.792 29.762 0.038 0.000 1.449 143 H HN -0.188 7.880 8.280 -0.055 0.180 0.523 144 L N 0.815 122.084 121.223 0.077 0.000 2.416 144 L HA -0.091 nan 4.340 nan 0.000 0.272 144 L C -0.733 176.148 176.870 0.018 0.000 1.161 144 L CA 0.761 55.637 54.840 0.060 0.000 0.845 144 L CB 0.514 42.581 42.059 0.014 0.000 1.119 144 L HN -0.646 7.481 8.230 0.028 0.120 0.464 145 Q N 3.330 123.147 119.800 0.028 0.000 2.416 145 Q HA 0.410 nan 4.340 nan 0.000 0.279 145 Q C -1.339 174.665 176.000 0.007 0.000 1.101 145 Q CA -3.069 52.711 55.803 -0.038 0.000 0.830 145 Q CB 1.061 29.692 28.738 -0.179 0.000 1.402 145 Q HN 0.268 8.604 8.270 0.109 0.000 0.445 146 P HA -0.104 nan 4.420 nan 0.000 0.220 146 P C -0.880 176.435 177.300 0.025 0.000 1.148 146 P CA 1.997 65.101 63.100 0.006 0.000 0.803 146 P CB 0.028 31.726 31.700 -0.003 0.000 0.782 147 N N -6.374 112.346 118.700 0.034 0.000 2.268 147 N HA 0.004 nan 4.740 nan 0.000 0.204 147 N C -0.902 174.678 175.510 0.117 0.000 1.124 147 N CA -0.603 52.484 53.050 0.062 0.000 0.838 147 N CB -1.130 37.388 38.487 0.052 0.000 0.994 147 N HN -0.020 8.342 8.380 0.013 0.026 0.489 148 T N 3.197 117.838 114.554 0.146 0.000 2.761 148 T HA -0.042 nan 4.350 nan 0.000 0.287 148 T C -0.320 174.422 174.700 0.071 0.000 0.931 148 T CA 1.999 64.208 62.100 0.181 0.000 1.164 148 T CB -0.185 68.806 68.868 0.206 0.000 0.876 148 T HN -0.466 7.664 8.240 0.109 0.175 0.534 149 K N 8.288 128.713 120.400 0.041 0.000 2.244 149 K HA 0.155 nan 4.320 nan 0.000 0.200 149 K C -1.276 175.330 176.600 0.009 0.000 1.052 149 K CA 0.302 56.610 56.287 0.035 0.000 0.980 149 K CB 1.968 34.505 32.500 0.062 0.000 0.838 149 K HN 0.626 8.891 8.250 0.026 0.000 0.481 150 I N -3.075 117.491 120.570 -0.007 0.000 2.582 150 I HA 0.500 nan 4.170 nan 0.000 0.292 150 I C -2.054 174.069 176.117 0.010 0.000 1.066 150 I CA -1.005 60.300 61.300 0.009 0.000 1.053 150 I CB 4.172 42.212 38.000 0.067 0.000 1.241 150 I HN -0.797 7.390 8.210 -0.038 0.000 0.421 151 V N 5.504 125.443 119.914 0.041 0.000 2.407 151 V HA 0.636 nan 4.120 nan 0.000 0.291 151 V C -2.036 174.157 176.094 0.165 0.000 1.018 151 V CA -1.357 60.987 62.300 0.075 0.000 0.842 151 V CB 1.692 33.511 31.823 -0.007 0.000 0.996 151 V HN 0.563 8.767 8.190 0.024 0.000 0.426 152 F N 8.993 129.008 119.950 0.108 0.000 2.388 152 F HA 0.765 nan 4.527 nan 0.000 0.358 152 F C -2.395 173.520 175.800 0.192 0.000 1.122 152 F CA -1.792 56.282 58.000 0.125 0.000 1.056 152 F CB 2.735 41.792 39.000 0.096 0.000 1.155 152 F HN 0.832 9.361 8.300 0.383 0.000 0.461 153 L N 5.604 126.762 121.223 -0.109 0.000 2.334 153 L HA 0.776 nan 4.340 nan 0.000 0.270 153 L C -2.026 174.863 176.870 0.032 0.000 1.018 153 L CA -1.352 53.554 54.840 0.109 0.000 0.811 153 L CB 2.613 44.722 42.059 0.083 0.000 1.271 153 L HN 0.937 8.914 8.230 -0.421 0.000 0.443 154 E N 0.644 120.997 120.200 0.256 0.000 2.378 154 E HA 0.239 nan 4.350 nan 0.000 0.282 154 E C -2.653 173.878 176.600 -0.115 0.000 0.910 154 E CA -0.096 56.358 56.400 0.089 0.000 0.816 154 E CB 2.708 32.515 29.700 0.177 0.000 1.359 154 E HN -0.177 8.548 8.360 0.609 0.000 0.397 155 S N 5.880 121.508 115.700 -0.121 0.000 2.672 155 S HA 0.389 nan 4.470 nan 0.000 0.291 155 S C -2.574 171.956 174.600 -0.115 0.000 1.145 155 S CA -3.533 54.513 58.200 -0.256 0.000 1.013 155 S CB 1.552 64.605 63.200 -0.245 0.000 1.017 155 S HN -0.076 8.217 8.310 -0.027 0.000 0.487 156 P HA 0.098 nan 4.420 nan 0.000 0.272 156 P C -1.043 176.050 177.300 -0.346 0.000 1.230 156 P CA -0.488 62.297 63.100 -0.526 0.000 0.788 156 P CB 0.669 31.785 31.700 -0.973 0.000 0.949 157 G N -0.713 107.902 108.800 -0.309 0.000 2.569 157 G HA2 0.008 nan 3.960 nan 0.000 0.249 157 G HA3 0.008 nan 3.960 nan 0.000 0.249 157 G C -0.123 174.711 174.900 -0.110 0.000 1.216 157 G CA -0.756 44.240 45.100 -0.173 0.000 0.845 157 G HN 0.033 8.080 8.290 -0.343 0.038 0.568 158 S N 2.541 118.244 115.700 0.005 0.000 2.549 158 S HA -0.051 nan 4.470 nan 0.000 0.286 158 S C 0.971 175.567 174.600 -0.007 0.000 1.314 158 S CA 2.027 60.262 58.200 0.058 0.000 1.062 158 S CB 0.441 63.765 63.200 0.207 0.000 0.865 158 S HN -0.304 8.033 8.310 0.045 0.000 0.498 159 I N -0.173 120.372 120.570 -0.042 0.000 4.497 159 I HA -0.581 nan 4.170 nan 0.000 0.059 159 I C 1.000 177.049 176.117 -0.114 0.000 0.607 159 I CA 3.130 64.386 61.300 -0.073 0.000 0.958 159 I CB -1.531 36.457 38.000 -0.021 0.000 0.864 159 I HN 0.752 8.931 8.210 -0.052 0.000 0.166 160 T N -4.592 109.907 114.554 -0.091 0.000 3.067 160 T HA -0.005 nan 4.350 nan 0.000 0.261 160 T C 0.727 175.345 174.700 -0.136 0.000 1.110 160 T CA 0.864 62.902 62.100 -0.103 0.000 1.113 160 T CB 0.430 69.277 68.868 -0.035 0.000 0.917 160 T HN 0.242 8.386 8.240 -0.059 0.061 0.499 161 M N -4.192 115.298 119.600 -0.183 0.000 2.872 161 M HA -0.405 nan 4.480 nan 0.000 0.200 161 M C -0.914 175.221 176.300 -0.275 0.000 0.582 161 M CA -0.263 54.869 55.300 -0.281 0.000 0.706 161 M CB -2.783 29.648 32.600 -0.281 0.000 2.560 161 M HN -0.428 7.726 8.290 -0.168 0.035 0.476 162 E N -1.656 118.426 120.200 -0.197 0.000 2.384 162 E HA -0.045 nan 4.350 nan 0.000 0.266 162 E C -0.456 176.005 176.600 -0.232 0.000 1.012 162 E CA 0.920 57.229 56.400 -0.151 0.000 0.901 162 E CB 0.373 30.026 29.700 -0.078 0.000 0.967 162 E HN -0.221 8.003 8.360 -0.165 0.037 0.435 163 V N 4.859 124.692 119.914 -0.134 0.000 2.394 163 V HA 0.144 nan 4.120 nan 0.000 0.282 163 V C -0.470 175.647 176.094 0.039 0.000 1.031 163 V CA -1.254 60.975 62.300 -0.119 0.000 0.881 163 V CB 0.540 32.337 31.823 -0.043 0.000 0.982 163 V HN -0.399 7.767 8.190 -0.040 0.000 0.451 164 H N 6.089 125.151 119.070 -0.013 0.000 2.603 164 H HA 0.177 nan 4.556 nan 0.000 0.370 164 H C -0.403 174.747 175.328 -0.296 0.000 1.225 164 H CA -0.838 55.158 56.048 -0.086 0.000 1.410 164 H CB 1.303 31.029 29.762 -0.061 0.000 1.495 164 H HN -0.045 8.112 8.280 -0.205 0.000 0.602 165 D N 1.254 121.401 120.400 -0.422 0.000 2.518 165 D HA 0.065 nan 4.640 nan 0.000 0.230 165 D C 0.439 176.574 176.300 -0.275 0.000 1.138 165 D CA -1.810 51.715 54.000 -0.792 0.000 0.964 165 D CB -0.674 39.426 40.800 -1.166 0.000 1.011 165 D HN 0.300 8.513 8.370 -0.263 0.000 0.517 166 V N 4.640 124.477 119.914 -0.128 0.000 2.282 166 V HA -0.317 nan 4.120 nan 0.000 0.249 166 V C -0.547 175.561 176.094 0.024 0.000 1.057 166 V CA 5.772 68.051 62.300 -0.035 0.000 1.032 166 V CB -2.381 29.447 31.823 0.008 0.000 0.645 166 V HN -0.252 7.862 8.190 -0.127 0.000 0.447 167 P HA -0.237 nan 4.420 nan 0.000 0.215 167 P C 1.047 178.372 177.300 0.042 0.000 1.153 167 P CA 3.447 66.628 63.100 0.136 0.000 0.853 167 P CB -0.761 31.053 31.700 0.189 0.000 0.788 168 A N -2.892 119.920 122.820 -0.015 0.000 1.902 168 A HA -0.224 nan 4.320 nan 0.000 0.217 168 A C 2.276 179.827 177.584 -0.055 0.000 1.181 168 A CA 2.955 54.971 52.037 -0.035 0.000 0.623 168 A CB -0.630 18.329 19.000 -0.067 0.000 0.818 168 A HN -0.718 7.629 8.150 -0.044 -0.223 0.443 169 I N -1.403 119.114 120.570 -0.087 0.000 2.179 169 I HA -0.542 nan 4.170 nan 0.000 0.242 169 I C 1.793 177.860 176.117 -0.083 0.000 1.088 169 I CA 4.387 65.616 61.300 -0.119 0.000 1.357 169 I CB -0.067 37.828 38.000 -0.174 0.000 1.051 169 I HN -0.431 7.720 8.210 -0.099 0.000 0.409 170 V N -0.441 119.451 119.914 -0.037 0.000 2.343 170 V HA -0.505 nan 4.120 nan 0.000 0.247 170 V C 1.722 177.808 176.094 -0.014 0.000 1.051 170 V CA 4.653 66.945 62.300 -0.013 0.000 1.036 170 V CB -1.313 30.531 31.823 0.035 0.000 0.654 170 V HN 0.280 8.458 8.190 -0.020 0.000 0.451 171 A N -1.665 121.151 122.820 -0.006 0.000 1.902 171 A HA -0.369 nan 4.320 nan 0.000 0.217 171 A C 1.743 179.315 177.584 -0.019 0.000 1.181 171 A CA 3.389 55.422 52.037 -0.006 0.000 0.623 171 A CB -0.887 18.115 19.000 0.003 0.000 0.818 171 A HN -0.153 7.998 8.150 0.002 0.000 0.443 172 A N -2.011 120.789 122.820 -0.033 0.000 1.877 172 A HA -0.284 nan 4.320 nan 0.000 0.216 172 A C 2.555 180.113 177.584 -0.045 0.000 1.186 172 A CA 3.048 55.060 52.037 -0.042 0.000 0.620 172 A CB -0.584 18.379 19.000 -0.060 0.000 0.822 172 A HN -0.436 7.692 8.150 -0.037 0.000 0.443 173 V N 0.022 119.902 119.914 -0.056 0.000 2.295 173 V HA -0.475 nan 4.120 nan 0.000 0.246 173 V C 2.337 178.412 176.094 -0.031 0.000 1.049 173 V CA 4.356 66.625 62.300 -0.051 0.000 1.024 173 V CB -1.142 30.644 31.823 -0.062 0.000 0.648 173 V HN 0.023 8.174 8.190 -0.065 0.000 0.447 174 R N -1.277 119.208 120.500 -0.025 0.000 2.105 174 R HA -0.248 nan 4.340 nan 0.000 0.239 174 R C 2.592 178.884 176.300 -0.013 0.000 1.135 174 R CA 2.066 58.156 56.100 -0.016 0.000 0.967 174 R CB -1.028 29.265 30.300 -0.011 0.000 0.861 174 R HN 0.272 8.526 8.270 -0.026 0.000 0.442 175 S N -2.179 113.512 115.700 -0.015 0.000 2.402 175 S HA -0.099 nan 4.470 nan 0.000 0.229 175 S C 1.141 175.733 174.600 -0.012 0.000 1.021 175 S CA 2.725 60.918 58.200 -0.012 0.000 0.974 175 S CB 0.372 63.565 63.200 -0.012 0.000 0.800 175 S HN -0.294 7.993 8.310 -0.018 0.012 0.484 176 V N 2.110 122.015 119.914 -0.015 0.000 2.521 176 V HA 0.042 nan 4.120 nan 0.000 0.239 176 V C 0.150 176.239 176.094 -0.007 0.000 1.053 176 V CA 1.794 64.086 62.300 -0.013 0.000 1.073 176 V CB 1.767 33.580 31.823 -0.017 0.000 0.746 176 V HN -0.714 7.346 8.190 -0.019 0.119 0.476 177 V N -6.277 113.632 119.914 -0.008 0.000 2.313 177 V HA 0.576 nan 4.120 nan 0.000 0.262 177 V C -1.829 174.263 176.094 -0.005 0.000 1.011 177 V CA -3.660 58.639 62.300 -0.001 0.000 0.858 177 V CB -0.820 31.007 31.823 0.006 0.000 1.104 177 V HN 0.045 8.228 8.190 -0.013 0.000 0.456 178 P HA -0.208 nan 4.420 nan 0.000 0.216 178 P C 0.386 177.684 177.300 -0.004 0.000 1.150 178 P CA 2.378 65.476 63.100 -0.004 0.000 0.843 178 P CB -0.026 31.674 31.700 -0.001 0.000 0.787 179 D N -3.716 116.685 120.400 0.002 0.000 2.347 179 D HA -0.137 nan 4.640 nan 0.000 0.215 179 D C 0.200 176.497 176.300 -0.005 0.000 0.976 179 D CA 0.699 54.702 54.000 0.006 0.000 0.884 179 D CB -0.602 40.209 40.800 0.019 0.000 0.915 179 D HN 0.224 8.569 8.370 0.005 0.028 0.526 180 A N 1.038 123.851 122.820 -0.011 0.000 2.466 180 A HA -0.012 nan 4.320 nan 0.000 0.238 180 A C -0.908 176.637 177.584 -0.065 0.000 1.074 180 A CA 0.677 52.699 52.037 -0.025 0.000 0.774 180 A CB 0.659 19.648 19.000 -0.019 0.000 1.015 180 A HN -0.350 7.632 8.150 -0.008 0.163 0.498 181 I N 0.761 121.266 120.570 -0.107 0.000 2.321 181 I HA 0.422 nan 4.170 nan 0.000 0.291 181 I C -1.176 174.867 176.117 -0.123 0.000 0.998 181 I CA -1.979 59.201 61.300 -0.200 0.000 1.227 181 I CB -0.428 37.296 38.000 -0.460 0.000 1.368 181 I HN 0.519 8.573 8.210 -0.083 0.106 0.466 182 I N 8.232 128.744 120.570 -0.097 0.000 2.321 182 I HA 0.474 nan 4.170 nan 0.000 0.291 182 I C -1.278 174.796 176.117 -0.072 0.000 0.998 182 I CA -0.501 60.763 61.300 -0.060 0.000 1.227 182 I CB 0.815 38.791 38.000 -0.041 0.000 1.368 182 I HN 0.507 9.009 8.210 -0.102 -0.353 0.466 183 M N 6.268 125.814 119.600 -0.091 0.000 2.662 183 M HA 0.866 nan 4.480 nan 0.000 0.310 183 M C -1.943 174.141 176.300 -0.360 0.000 1.204 183 M CA -1.222 53.979 55.300 -0.165 0.000 0.891 183 M CB 4.447 36.986 32.600 -0.102 0.000 1.732 183 M HN 0.599 8.848 8.290 -0.068 0.000 0.467 184 I N -0.418 119.953 120.570 -0.331 0.000 2.656 184 I HA 0.468 nan 4.170 nan 0.000 0.292 184 I C -3.036 172.932 176.117 -0.249 0.000 1.144 184 I CA -1.570 59.532 61.300 -0.329 0.000 1.038 184 I CB 4.053 42.024 38.000 -0.049 0.000 1.244 184 I HN 0.287 8.377 8.210 -0.199 0.000 0.420 185 D N 8.507 128.769 120.400 -0.229 0.000 2.411 185 D HA 0.152 nan 4.640 nan 0.000 0.225 185 D C -1.225 175.130 176.300 0.091 0.000 1.156 185 D CA -0.724 53.284 54.000 0.013 0.000 0.874 185 D CB -0.048 40.857 40.800 0.175 0.000 1.034 185 D HN 0.201 8.379 8.370 -0.319 0.000 0.502 186 N N 6.516 125.289 118.700 0.121 0.000 2.327 186 N HA 0.185 nan 4.740 nan 0.000 0.231 186 N C 0.789 176.452 175.510 0.254 0.000 1.130 186 N CA -0.437 52.734 53.050 0.201 0.000 0.845 186 N CB 0.605 39.210 38.487 0.196 0.000 1.073 186 N HN 0.429 8.865 8.380 0.093 0.000 0.496 187 T N 1.738 116.441 114.554 0.249 0.000 2.708 187 T HA -0.268 nan 4.350 nan 0.000 0.266 187 T C 1.502 176.495 174.700 0.488 0.000 1.037 187 T CA 5.155 67.407 62.100 0.255 0.000 1.146 187 T CB -0.467 68.478 68.868 0.128 0.000 0.865 187 T HN -0.497 7.987 8.240 0.214 -0.116 0.435 188 W N 2.228 123.801 121.300 0.455 0.000 2.342 188 W HA -0.379 nan 4.660 nan 0.000 0.297 188 W C 0.474 177.235 176.519 0.403 0.000 1.213 188 W CA 3.786 61.455 57.345 0.540 0.000 1.251 188 W CB -0.167 29.484 29.460 0.318 0.000 1.136 188 W HN -0.059 8.541 8.180 0.699 0.000 0.526 189 A N -4.133 119.067 122.820 0.634 0.000 2.251 189 A HA 0.006 nan 4.320 nan 0.000 0.209 189 A C -0.968 176.745 177.584 0.214 0.000 1.187 189 A CA 0.001 52.301 52.037 0.439 0.000 0.823 189 A CB -1.122 18.208 19.000 0.550 0.000 0.846 189 A HN -0.443 8.096 8.150 0.669 0.013 0.486 190 A N -3.820 119.132 122.820 0.220 0.000 2.798 190 A HA -0.383 nan 4.320 nan 0.000 0.282 190 A C 0.841 178.504 177.584 0.132 0.000 1.464 190 A CA 0.865 52.999 52.037 0.161 0.000 0.844 190 A CB -2.076 16.977 19.000 0.088 0.000 1.006 190 A HN -0.143 7.982 8.150 0.309 0.210 0.577 191 G N -5.602 103.294 108.800 0.161 0.000 2.270 191 G HA2 -0.473 nan 3.960 nan 0.000 0.268 191 G HA3 -0.473 nan 3.960 nan 0.000 0.268 191 G C 0.206 175.162 174.900 0.094 0.000 0.982 191 G CA 0.983 46.158 45.100 0.125 0.000 0.628 191 G HN -0.134 8.250 8.290 0.211 0.033 0.544 192 V N -6.532 113.440 119.914 0.097 0.000 3.263 192 V HA 0.338 nan 4.120 nan 0.000 0.248 192 V C 0.660 176.811 176.094 0.095 0.000 1.145 192 V CA 0.327 62.670 62.300 0.072 0.000 1.107 192 V CB -0.033 31.824 31.823 0.056 0.000 0.797 192 V HN -0.585 7.561 8.190 0.108 0.109 0.467 193 L N -1.861 119.454 121.223 0.155 0.000 2.552 193 L HA -0.028 nan 4.340 nan 0.000 0.227 193 L C -0.452 176.535 176.870 0.196 0.000 1.146 193 L CA 1.532 56.509 54.840 0.228 0.000 0.858 193 L CB 0.457 42.725 42.059 0.347 0.000 0.969 193 L HN -0.468 7.860 8.230 0.163 0.000 0.451 194 F N -1.455 118.427 119.950 -0.113 0.000 2.730 194 F HA 0.123 nan 4.527 nan 0.000 0.335 194 F C -2.014 173.729 175.800 -0.095 0.000 1.212 194 F CA -1.169 56.622 58.000 -0.347 0.000 1.016 194 F CB 2.515 41.013 39.000 -0.837 0.000 1.290 194 F HN -0.817 7.520 8.300 0.159 0.058 0.495 195 K N 8.483 128.658 120.400 -0.376 0.000 2.187 195 K HA 0.110 nan 4.320 nan 0.000 0.242 195 K C 0.167 176.562 176.600 -0.341 0.000 1.179 195 K CA -1.478 54.659 56.287 -0.249 0.000 1.097 195 K CB -2.225 30.185 32.500 -0.150 0.000 1.634 195 K HN 0.618 8.695 8.250 -0.288 0.000 0.335 196 A N 4.165 126.752 122.820 -0.388 0.000 1.940 196 A HA -0.307 nan 4.320 nan 0.000 0.221 196 A C 1.862 179.432 177.584 -0.024 0.000 1.190 196 A CA 3.141 55.050 52.037 -0.213 0.000 0.647 196 A CB -0.617 18.416 19.000 0.054 0.000 0.821 196 A HN 0.013 7.983 8.150 -0.241 0.035 0.457 197 L N -3.445 117.753 121.223 -0.042 0.000 2.191 197 L HA -0.278 nan 4.340 nan 0.000 0.212 197 L C 2.246 179.073 176.870 -0.071 0.000 1.103 197 L CA 2.656 57.474 54.840 -0.036 0.000 0.769 197 L CB -0.628 41.406 42.059 -0.042 0.000 0.908 197 L HN 0.059 8.241 8.230 -0.059 0.013 0.438 198 D N -0.502 119.814 120.400 -0.140 0.000 2.371 198 D HA -0.133 nan 4.640 nan 0.000 0.221 198 D C 0.969 177.015 176.300 -0.424 0.000 0.986 198 D CA 2.596 56.423 54.000 -0.288 0.000 0.899 198 D CB -0.323 40.233 40.800 -0.408 0.000 0.902 198 D HN -0.244 7.921 8.370 -0.133 0.126 0.530 199 F N -2.240 117.598 119.950 -0.187 0.000 2.664 199 F HA 0.148 nan 4.527 nan 0.000 0.303 199 F C 0.703 176.464 175.800 -0.064 0.000 1.092 199 F CA 0.034 57.962 58.000 -0.121 0.000 1.305 199 F CB 0.305 39.231 39.000 -0.124 0.000 1.054 199 F HN -0.437 7.720 8.300 0.075 0.188 0.565 200 G N -1.037 107.793 108.800 0.050 0.000 2.157 200 G HA2 -0.455 nan 3.960 nan 0.000 0.239 200 G HA3 -0.455 nan 3.960 nan 0.000 0.239 200 G C -1.205 173.715 174.900 0.034 0.000 0.982 200 G CA 0.131 45.248 45.100 0.029 0.000 0.650 200 G HN -0.592 7.641 8.290 0.001 0.057 0.527 201 I N -0.078 120.525 120.570 0.054 0.000 2.575 201 I HA -0.167 nan 4.170 nan 0.000 0.285 201 I C -0.233 175.888 176.117 0.007 0.000 1.085 201 I CA 1.184 62.503 61.300 0.033 0.000 1.403 201 I CB 0.293 38.328 38.000 0.058 0.000 1.409 201 I HN -0.729 7.485 8.210 0.080 0.045 0.557 202 D N 6.461 126.852 120.400 -0.016 0.000 2.137 202 D HA 0.036 nan 4.640 nan 0.000 0.202 202 D C -0.839 175.465 176.300 0.007 0.000 0.970 202 D CA 3.117 57.104 54.000 -0.020 0.000 0.837 202 D CB 1.224 41.978 40.800 -0.077 0.000 0.981 202 D HN 0.031 8.384 8.370 -0.029 0.000 0.475 203 V N -2.695 117.221 119.914 0.003 0.000 2.577 203 V HA 0.420 nan 4.120 nan 0.000 0.303 203 V C -2.264 173.851 176.094 0.034 0.000 1.042 203 V CA -1.250 61.079 62.300 0.048 0.000 0.872 203 V CB 2.678 34.551 31.823 0.084 0.000 0.998 203 V HN -0.688 7.489 8.190 -0.022 0.000 0.423 204 S N 5.076 120.809 115.700 0.055 0.000 2.448 204 S HA 0.689 nan 4.470 nan 0.000 0.320 204 S C -1.317 173.327 174.600 0.073 0.000 1.071 204 S CA -1.858 56.374 58.200 0.054 0.000 1.113 204 S CB 0.874 64.110 63.200 0.059 0.000 0.972 204 S HN 0.622 8.973 8.310 0.067 0.000 0.465 205 I N 7.952 128.557 120.570 0.058 0.000 2.437 205 I HA 0.544 nan 4.170 nan 0.000 0.298 205 I C -1.744 174.416 176.117 0.071 0.000 0.984 205 I CA -0.402 60.940 61.300 0.070 0.000 1.214 205 I CB 1.861 39.901 38.000 0.067 0.000 1.365 205 I HN 0.943 9.168 8.210 0.025 0.000 0.469 206 Q N 3.615 123.454 119.800 0.064 0.000 2.345 206 Q HA 0.506 nan 4.340 nan 0.000 0.275 206 Q C -1.947 174.054 176.000 0.001 0.000 1.063 206 Q CA -1.559 54.272 55.803 0.047 0.000 0.819 206 Q CB 5.186 33.962 28.738 0.063 0.000 1.356 206 Q HN 0.600 8.913 8.270 0.070 0.000 0.418 207 A N 2.854 125.635 122.820 -0.065 0.000 2.798 207 A HA 0.431 nan 4.320 nan 0.000 0.316 207 A C -0.686 176.817 177.584 -0.134 0.000 1.506 207 A CA -1.352 50.607 52.037 -0.130 0.000 1.162 207 A CB -0.423 18.422 19.000 -0.258 0.000 1.138 207 A HN 0.400 8.510 8.150 -0.066 0.000 0.532 208 A N 4.863 127.650 122.820 -0.055 0.000 2.076 208 A HA -0.239 nan 4.320 nan 0.000 0.220 208 A C 0.299 177.829 177.584 -0.090 0.000 1.160 208 A CA 1.895 53.909 52.037 -0.038 0.000 0.653 208 A CB -0.070 18.936 19.000 0.011 0.000 0.801 208 A HN 0.114 8.239 8.150 -0.016 0.016 0.455 212 L N 0.662 121.946 121.223 0.103 0.000 2.017 212 L HA -0.305 nan 4.340 nan 0.000 0.208 212 L C 1.389 178.306 176.870 0.078 0.000 1.073 212 L CA 2.529 57.419 54.840 0.083 0.000 0.745 212 L CB -0.140 41.950 42.059 0.051 0.000 0.894 212 L HN -0.202 8.062 8.230 0.057 0.000 0.432 213 V N -3.791 116.151 119.914 0.046 0.000 2.379 213 V HA -0.214 nan 4.120 nan 0.000 0.245 213 V C 1.494 177.707 176.094 0.197 0.000 1.044 213 V CA 2.737 65.088 62.300 0.085 0.000 1.036 213 V CB 0.076 31.917 31.823 0.030 0.000 0.664 213 V HN 0.037 8.227 8.190 -0.001 0.000 0.453 214 G N -3.007 105.839 108.800 0.076 0.000 2.186 214 G HA2 -0.474 nan 3.960 nan 0.000 0.266 214 G HA3 -0.474 nan 3.960 nan 0.000 0.266 214 G C -0.426 174.391 174.900 -0.138 0.000 0.982 214 G CA 1.988 47.093 45.100 0.009 0.000 0.670 214 G HN 0.408 8.691 8.290 -0.012 0.000 0.533 215 H N -2.452 116.651 119.070 0.055 0.000 3.052 215 H HA 0.236 nan 4.556 nan 0.000 0.257 215 H C -0.379 174.931 175.328 -0.030 0.000 1.193 215 H CA -1.824 54.301 56.048 0.128 0.000 1.072 215 H CB 0.956 30.861 29.762 0.238 0.000 1.685 215 H HN -0.242 8.096 8.280 0.194 0.058 0.630 216 S N -1.429 114.252 115.700 -0.032 0.000 3.521 216 S HA -0.414 nan 4.470 nan 0.000 0.328 216 S C -0.454 174.133 174.600 -0.022 0.000 1.165 216 S CA 1.871 60.016 58.200 -0.091 0.000 0.941 216 S CB -1.480 61.614 63.200 -0.177 0.000 0.951 216 S HN 0.458 8.730 8.310 -0.064 0.000 0.539 217 D N -3.315 117.102 120.400 0.028 0.000 2.599 217 D HA 0.016 nan 4.640 nan 0.000 0.249 217 D C -1.886 174.424 176.300 0.017 0.000 1.313 217 D CA -1.049 52.969 54.000 0.030 0.000 0.815 217 D CB 0.266 41.101 40.800 0.059 0.000 1.077 217 D HN 0.156 8.532 8.370 0.052 0.025 0.492 218 A N -0.852 121.969 122.820 0.002 0.000 2.604 218 A HA 0.271 nan 4.320 nan 0.000 0.295 218 A C -1.752 175.821 177.584 -0.018 0.000 1.067 218 A CA -0.166 51.871 52.037 0.000 0.000 0.683 218 A CB 2.575 21.582 19.000 0.012 0.000 1.281 218 A HN -0.409 7.734 8.150 -0.011 0.000 0.407 219 M N 1.109 120.703 119.600 -0.009 0.000 2.395 219 M HA 0.466 nan 4.480 nan 0.000 0.307 219 M C -1.308 174.997 176.300 0.008 0.000 1.091 219 M CA -0.279 55.011 55.300 -0.016 0.000 0.919 219 M CB 3.277 35.870 32.600 -0.012 0.000 1.662 219 M HN 0.141 8.432 8.290 0.002 0.000 0.440 220 I N 0.155 120.730 120.570 0.008 0.000 2.746 220 I HA 0.339 nan 4.170 nan 0.000 0.290 220 I C -2.833 173.318 176.117 0.057 0.000 1.600 220 I CA -0.237 61.093 61.300 0.049 0.000 1.019 220 I CB 4.582 42.611 38.000 0.047 0.000 1.426 220 I HN 0.519 8.717 8.210 -0.020 0.000 0.460 221 G N 3.522 112.403 108.800 0.135 0.000 2.482 221 G HA2 0.702 nan 3.960 nan 0.000 0.317 221 G HA3 0.702 nan 3.960 nan 0.000 0.317 221 G C -2.728 172.343 174.900 0.284 0.000 1.241 221 G CA -1.267 43.923 45.100 0.150 0.000 0.967 221 G HN 0.088 8.387 8.290 0.189 0.105 0.482 222 T N -3.076 111.613 114.554 0.226 0.000 2.900 222 T HA 0.918 nan 4.350 nan 0.000 0.295 222 T C -2.194 172.663 174.700 0.261 0.000 1.044 222 T CA -2.404 59.857 62.100 0.268 0.000 0.995 222 T CB 3.211 72.170 68.868 0.151 0.000 1.072 222 T HN 0.466 8.788 8.240 0.137 0.000 0.473 223 A N 1.878 124.895 122.820 0.328 0.000 2.411 223 A HA 0.732 nan 4.320 nan 0.000 0.285 223 A C -2.387 175.325 177.584 0.213 0.000 1.129 223 A CA -0.737 51.468 52.037 0.279 0.000 0.736 223 A CB 1.849 21.095 19.000 0.411 0.000 1.186 223 A HN 0.453 8.815 8.150 0.354 0.000 0.445 224 V N 4.168 124.160 119.914 0.130 0.000 2.407 224 V HA 0.593 nan 4.120 nan 0.000 0.278 224 V C -1.179 174.957 176.094 0.069 0.000 1.037 224 V CA -0.665 61.672 62.300 0.062 0.000 0.900 224 V CB 1.165 33.001 31.823 0.022 0.000 0.983 224 V HN 0.479 8.740 8.190 0.118 0.000 0.459 225 C N 7.091 126.421 119.300 0.050 0.000 2.562 225 C HA 0.794 nan 4.460 nan 0.000 0.332 225 C C -0.928 174.084 174.990 0.037 0.000 1.201 225 C CA -2.001 57.076 59.018 0.099 0.000 1.803 225 C CB 2.906 30.800 27.740 0.256 0.000 2.328 225 C HN 0.760 8.976 8.230 -0.024 0.000 0.500 226 N N 1.193 119.932 118.700 0.066 0.000 2.364 226 N HA 0.037 nan 4.740 nan 0.000 0.264 226 N C 0.899 176.472 175.510 0.104 0.000 1.263 226 N CA -0.881 52.195 53.050 0.043 0.000 0.959 226 N CB 0.479 38.984 38.487 0.030 0.000 1.204 226 N HN -0.013 8.415 8.380 0.081 0.000 0.550 227 A N 0.454 123.326 122.820 0.088 0.000 1.972 227 A HA -0.302 nan 4.320 nan 0.000 0.219 227 A C 1.622 179.306 177.584 0.166 0.000 1.169 227 A CA 2.811 54.933 52.037 0.142 0.000 0.635 227 A CB -0.579 18.477 19.000 0.092 0.000 0.810 227 A HN 0.490 8.669 8.150 0.048 0.000 0.446 228 R N -3.264 117.308 120.500 0.120 0.000 2.096 228 R HA -0.161 nan 4.340 nan 0.000 0.235 228 R C 0.958 177.358 176.300 0.166 0.000 1.127 228 R CA 2.350 58.518 56.100 0.113 0.000 0.968 228 R CB -0.187 30.154 30.300 0.068 0.000 0.861 228 R HN -0.104 8.249 8.270 0.091 -0.028 0.440 229 C N -2.704 116.722 119.300 0.209 0.000 2.912 229 C HA 0.357 nan 4.460 nan 0.000 0.274 229 C C 1.229 176.478 174.990 0.431 0.000 1.248 229 C CA 0.179 59.396 59.018 0.332 0.000 1.694 229 C CB -0.703 27.175 27.740 0.231 0.000 2.024 229 C HN -0.323 8.291 8.230 0.182 -0.274 0.605 230 W N 1.952 123.345 121.300 0.155 0.000 2.301 230 W HA -0.510 nan 4.660 nan 0.000 0.325 230 W C 0.685 177.261 176.519 0.095 0.000 1.250 230 W CA 3.665 61.083 57.345 0.122 0.000 1.261 230 W CB -0.500 29.003 29.460 0.072 0.000 1.157 230 W HN -0.211 8.226 8.180 0.428 0.000 0.473 231 E N -2.196 117.927 120.200 -0.128 0.000 2.070 231 E HA -0.604 nan 4.350 nan 0.000 0.197 231 E C 2.066 178.538 176.600 -0.212 0.000 1.004 231 E CA 3.568 59.761 56.400 -0.345 0.000 0.805 231 E CB -0.858 28.705 29.700 -0.227 0.000 0.744 231 E HN 0.270 8.674 8.360 0.073 0.000 0.451 232 Q N -0.682 119.071 119.800 -0.079 0.000 2.079 232 Q HA -0.245 nan 4.340 nan 0.000 0.200 232 Q C 2.513 178.362 176.000 -0.252 0.000 0.974 232 Q CA 2.801 58.509 55.803 -0.158 0.000 0.840 232 Q CB -0.159 28.493 28.738 -0.143 0.000 0.898 232 Q HN -0.195 8.091 8.270 0.027 0.000 0.430 233 L N -0.054 121.089 121.223 -0.133 0.000 2.017 233 L HA -0.321 nan 4.340 nan 0.000 0.208 233 L C 1.569 178.454 176.870 0.025 0.000 1.073 233 L CA 2.848 57.669 54.840 -0.030 0.000 0.745 233 L CB -0.488 41.763 42.059 0.320 0.000 0.894 233 L HN -0.409 7.859 8.230 0.063 0.000 0.432 234 R N -0.972 119.514 120.500 -0.023 0.000 2.080 234 R HA -0.455 nan 4.340 nan 0.000 0.236 234 R C 2.277 178.534 176.300 -0.071 0.000 1.137 234 R CA 3.819 59.873 56.100 -0.077 0.000 0.943 234 R CB -0.164 29.917 30.300 -0.365 0.000 0.846 234 R HN 0.243 8.482 8.270 -0.052 0.000 0.431 235 E N -2.235 117.887 120.200 -0.130 0.000 2.107 235 E HA -0.234 nan 4.350 nan 0.000 0.191 235 E C 2.721 179.329 176.600 0.013 0.000 0.982 235 E CA 2.402 58.763 56.400 -0.065 0.000 0.809 235 E CB -0.660 28.967 29.700 -0.121 0.000 0.756 235 E HN -0.234 8.010 8.360 -0.193 0.000 0.459 236 N N -0.089 118.588 118.700 -0.039 0.000 2.216 236 N HA -0.165 nan 4.740 nan 0.000 0.183 236 N C 2.117 177.645 175.510 0.031 0.000 1.017 236 N CA 2.552 55.586 53.050 -0.026 0.000 0.861 236 N CB -0.399 38.025 38.487 -0.106 0.000 0.986 236 N HN -0.196 8.129 8.380 -0.091 0.000 0.428 237 A N 0.089 122.946 122.820 0.063 0.000 1.969 237 A HA -0.216 nan 4.320 nan 0.000 0.218 237 A C 1.617 179.239 177.584 0.063 0.000 1.169 237 A CA 2.769 54.870 52.037 0.106 0.000 0.635 237 A CB -0.709 18.361 19.000 0.118 0.000 0.810 237 A HN 0.043 8.219 8.150 0.043 0.000 0.445 238 Y N -0.502 119.774 120.300 -0.040 0.000 2.242 238 Y HA -0.322 nan 4.550 nan 0.000 0.291 238 Y C 2.311 178.209 175.900 -0.003 0.000 1.137 238 Y CA 3.513 61.596 58.100 -0.029 0.000 1.181 238 Y CB 0.176 38.616 38.460 -0.035 0.000 0.989 238 Y HN -0.477 7.817 8.280 0.173 0.090 0.527 239 L N -1.456 119.783 121.223 0.026 0.000 2.275 239 L HA -0.342 nan 4.340 nan 0.000 0.215 239 L C 1.418 178.250 176.870 -0.063 0.000 1.119 239 L CA 2.419 57.242 54.840 -0.029 0.000 0.790 239 L CB -0.015 42.056 42.059 0.020 0.000 0.919 239 L HN -0.323 7.882 8.230 0.102 0.086 0.443 240 M N -4.471 115.104 119.600 -0.042 0.000 2.561 240 M HA 0.082 nan 4.480 nan 0.000 0.238 240 M C 0.872 177.137 176.300 -0.057 0.000 1.131 240 M CA -1.381 53.907 55.300 -0.020 0.000 1.046 240 M CB -0.444 32.178 32.600 0.036 0.000 1.532 240 M HN -0.684 7.456 8.290 -0.016 0.141 0.497 241 G N -0.674 108.033 108.800 -0.155 0.000 2.198 241 G HA2 -0.327 nan 3.960 nan 0.000 0.260 241 G HA3 -0.327 nan 3.960 nan 0.000 0.260 241 G C -0.017 174.813 174.900 -0.117 0.000 1.025 241 G CA 0.471 45.455 45.100 -0.194 0.000 0.769 241 G HN -0.299 7.647 8.290 -0.216 0.214 0.507 242 Q N 0.716 120.464 119.800 -0.087 0.000 2.286 242 Q HA 0.093 nan 4.340 nan 0.000 0.257 242 Q C -0.970 174.956 176.000 -0.123 0.000 0.941 242 Q CA -0.236 55.530 55.803 -0.061 0.000 0.912 242 Q CB 0.715 29.437 28.738 -0.028 0.000 1.192 242 Q HN -0.253 7.962 8.270 -0.092 0.000 0.410 243 M N -3.810 115.739 119.600 -0.084 0.000 2.956 243 M HA 0.153 nan 4.480 nan 0.000 0.272 243 M C -2.517 173.781 176.300 -0.003 0.000 1.132 243 M CA -0.286 54.969 55.300 -0.076 0.000 0.805 243 M CB 2.383 34.936 32.600 -0.078 0.000 1.639 243 M HN -0.176 8.096 8.290 -0.031 0.000 0.520 244 V N -0.115 119.832 119.914 0.055 0.000 2.962 244 V HA 0.401 nan 4.120 nan 0.000 0.313 244 V C -1.722 174.490 176.094 0.197 0.000 1.099 244 V CA -2.130 60.234 62.300 0.107 0.000 0.971 244 V CB 2.168 34.057 31.823 0.110 0.000 1.028 244 V HN -0.063 8.160 8.190 0.054 0.000 0.430 245 D N 3.001 123.472 120.400 0.118 0.000 2.368 245 D HA -0.043 nan 4.640 nan 0.000 0.240 245 D C 0.398 176.713 176.300 0.025 0.000 1.169 245 D CA 0.031 54.093 54.000 0.103 0.000 0.906 245 D CB 1.972 42.790 40.800 0.030 0.000 1.187 245 D HN 0.069 8.482 8.370 0.072 0.000 0.435 246 A N 1.873 124.660 122.820 -0.054 0.000 1.902 246 A HA -0.315 nan 4.320 nan 0.000 0.217 246 A C 1.598 179.075 177.584 -0.178 0.000 1.181 246 A CA 3.089 54.947 52.037 -0.298 0.000 0.623 246 A CB 0.082 18.978 19.000 -0.173 0.000 0.818 246 A HN 0.524 8.695 8.150 0.036 0.000 0.443 247 D N -2.629 117.718 120.400 -0.088 0.000 2.117 247 D HA -0.247 nan 4.640 nan 0.000 0.197 247 D C 2.256 178.567 176.300 0.018 0.000 0.987 247 D CA 4.013 57.988 54.000 -0.042 0.000 0.829 247 D CB -0.105 40.664 40.800 -0.051 0.000 0.961 247 D HN 0.046 8.432 8.370 -0.073 -0.060 0.460 248 T N 2.384 116.935 114.554 -0.006 0.000 2.821 248 T HA -0.193 nan 4.350 nan 0.000 0.267 248 T C 1.453 176.150 174.700 -0.004 0.000 1.046 248 T CA 4.304 66.410 62.100 0.009 0.000 1.139 248 T CB -0.525 68.350 68.868 0.013 0.000 0.871 248 T HN -0.522 7.954 8.240 -0.020 -0.248 0.454 249 A N 1.819 124.601 122.820 -0.063 0.000 1.902 249 A HA -0.255 nan 4.320 nan 0.000 0.217 249 A C 1.181 178.730 177.584 -0.058 0.000 1.181 249 A CA 3.128 55.104 52.037 -0.101 0.000 0.623 249 A CB -0.974 17.847 19.000 -0.298 0.000 0.818 249 A HN -0.345 7.743 8.150 -0.104 0.000 0.443 250 Y N 0.011 120.222 120.300 -0.148 0.000 2.145 250 Y HA -0.416 nan 4.550 nan 0.000 0.286 250 Y C 1.885 177.745 175.900 -0.067 0.000 1.145 250 Y CA 3.799 61.836 58.100 -0.106 0.000 1.148 250 Y CB 0.339 38.737 38.460 -0.102 0.000 0.981 250 Y HN -0.345 7.892 8.280 0.051 0.073 0.507 251 I N -2.116 118.504 120.570 0.083 0.000 2.264 251 I HA -0.538 nan 4.170 nan 0.000 0.248 251 I C 2.269 178.354 176.117 -0.054 0.000 1.111 251 I CA 3.058 64.365 61.300 0.011 0.000 1.382 251 I CB -1.278 36.757 38.000 0.058 0.000 1.060 251 I HN 0.133 8.444 8.210 0.167 0.000 0.418 252 T N 2.284 116.812 114.554 -0.043 0.000 2.812 252 T HA -0.255 nan 4.350 nan 0.000 0.264 252 T C 2.284 176.948 174.700 -0.061 0.000 1.042 252 T CA 4.895 66.978 62.100 -0.029 0.000 1.140 252 T CB -0.519 68.343 68.868 -0.010 0.000 0.870 252 T HN -0.009 8.120 8.240 -0.029 0.094 0.445 253 S N 2.663 118.292 115.700 -0.118 0.000 2.368 253 S HA -0.395 nan 4.470 nan 0.000 0.225 253 S C 1.747 176.250 174.600 -0.163 0.000 1.030 253 S CA 3.573 61.690 58.200 -0.138 0.000 0.999 253 S CB -0.104 62.983 63.200 -0.189 0.000 0.844 253 S HN -0.198 8.034 8.310 -0.130 0.000 0.459 254 R N 0.746 121.093 120.500 -0.256 0.000 2.096 254 R HA -0.248 nan 4.340 nan 0.000 0.235 254 R C 2.942 179.198 176.300 -0.073 0.000 1.127 254 R CA 2.794 58.760 56.100 -0.224 0.000 0.968 254 R CB -0.008 30.106 30.300 -0.310 0.000 0.861 254 R HN -0.232 7.836 8.270 -0.327 0.006 0.440 255 G N -0.939 107.848 108.800 -0.021 0.000 2.432 255 G HA2 -0.241 nan 3.960 nan 0.000 0.219 255 G HA3 -0.241 nan 3.960 nan 0.000 0.219 255 G C 1.124 176.064 174.900 0.066 0.000 1.135 255 G CA 1.615 46.761 45.100 0.076 0.000 0.767 255 G HN -0.213 7.957 8.290 -0.048 0.090 0.550 256 L N 0.360 121.598 121.223 0.024 0.000 2.127 256 L HA -0.380 nan 4.340 nan 0.000 0.211 256 L C 2.650 179.537 176.870 0.028 0.000 1.089 256 L CA 2.594 57.450 54.840 0.027 0.000 0.757 256 L CB -0.506 41.556 42.059 0.005 0.000 0.899 256 L HN -0.509 7.599 8.230 -0.006 0.118 0.434 257 R N -3.040 117.468 120.500 0.014 0.000 2.127 257 R HA -0.218 nan 4.340 nan 0.000 0.238 257 R C 1.389 177.710 176.300 0.034 0.000 1.134 257 R CA 2.088 58.197 56.100 0.015 0.000 0.975 257 R CB -0.841 29.458 30.300 -0.003 0.000 0.865 257 R HN -0.429 7.814 8.270 -0.003 0.025 0.447 258 T N -5.536 109.053 114.554 0.059 0.000 3.092 258 T HA 0.362 nan 4.350 nan 0.000 0.258 258 T C 0.783 175.529 174.700 0.078 0.000 1.031 258 T CA -0.699 61.442 62.100 0.069 0.000 0.925 258 T CB 1.024 69.949 68.868 0.096 0.000 1.036 258 T HN -0.644 7.616 8.240 0.070 0.022 0.544 259 L N 2.691 123.960 121.223 0.078 0.000 2.042 259 L HA -0.330 nan 4.340 nan 0.000 0.210 259 L C 0.828 177.737 176.870 0.065 0.000 1.076 259 L CA 3.179 58.070 54.840 0.085 0.000 0.749 259 L CB -0.502 41.600 42.059 0.072 0.000 0.893 259 L HN -0.431 7.653 8.230 0.068 0.186 0.432 260 G N -2.904 105.925 108.800 0.049 0.000 2.433 260 G HA2 -0.390 nan 3.960 nan 0.000 0.216 260 G HA3 -0.390 nan 3.960 nan 0.000 0.216 260 G C 1.036 175.957 174.900 0.035 0.000 1.186 260 G CA 2.526 47.650 45.100 0.040 0.000 0.779 260 G HN 0.405 8.708 8.290 0.046 0.014 0.543 261 V N -2.305 117.626 119.914 0.029 0.000 2.515 261 V HA -0.227 nan 4.120 nan 0.000 0.250 261 V C 1.920 178.014 176.094 -0.001 0.000 1.058 261 V CA 1.824 64.131 62.300 0.012 0.000 1.064 261 V CB -0.957 30.871 31.823 0.008 0.000 0.675 261 V HN -0.389 7.820 8.190 0.033 0.000 0.461 262 R N 0.493 121.008 120.500 0.025 0.000 2.057 262 R HA -0.260 nan 4.340 nan 0.000 0.229 262 R C 2.355 178.684 176.300 0.048 0.000 1.136 262 R CA 3.264 59.370 56.100 0.011 0.000 0.952 262 R CB -0.106 30.279 30.300 0.142 0.000 0.848 262 R HN -0.333 7.952 8.270 0.050 0.015 0.430 263 L N -1.270 120.026 121.223 0.121 0.000 2.079 263 L HA -0.410 nan 4.340 nan 0.000 0.210 263 L C 2.284 179.218 176.870 0.107 0.000 1.081 263 L CA 3.133 58.028 54.840 0.092 0.000 0.752 263 L CB -0.670 41.382 42.059 -0.012 0.000 0.896 263 L HN 0.153 8.440 8.230 0.096 0.000 0.433 264 R N -2.061 118.478 120.500 0.065 0.000 2.081 264 R HA -0.428 nan 4.340 nan 0.000 0.235 264 R C 2.361 178.680 176.300 0.031 0.000 1.131 264 R CA 4.023 60.154 56.100 0.052 0.000 0.960 264 R CB -0.502 29.805 30.300 0.012 0.000 0.856 264 R HN -0.477 7.810 8.270 0.046 0.010 0.436 265 Q N -1.354 118.428 119.800 -0.030 0.000 2.083 265 Q HA -0.203 nan 4.340 nan 0.000 0.198 265 Q C 2.570 178.554 176.000 -0.027 0.000 0.969 265 Q CA 2.896 58.657 55.803 -0.070 0.000 0.838 265 Q CB -0.925 27.720 28.738 -0.155 0.000 0.900 265 Q HN -0.268 7.971 8.270 -0.052 0.000 0.436 266 H N -0.421 118.689 119.070 0.066 0.000 2.352 266 H HA -0.295 nan 4.556 nan 0.000 0.299 266 H C 2.659 178.051 175.328 0.107 0.000 1.097 266 H CA 3.793 59.881 56.048 0.066 0.000 1.311 266 H CB -0.073 29.712 29.762 0.038 0.000 1.377 266 H HN -0.015 8.185 8.280 -0.132 0.000 0.504 267 H N 0.109 119.251 119.070 0.119 0.000 2.293 267 H HA -0.248 nan 4.556 nan 0.000 0.300 267 H C 2.124 177.493 175.328 0.069 0.000 1.082 267 H CA 2.972 59.077 56.048 0.094 0.000 1.308 267 H CB 0.116 29.934 29.762 0.093 0.000 1.375 267 H HN 0.120 8.572 8.280 0.295 0.005 0.495 268 E N -1.135 119.178 120.200 0.188 0.000 2.051 268 E HA -0.402 nan 4.350 nan 0.000 0.192 268 E C 2.485 179.131 176.600 0.077 0.000 0.991 268 E CA 3.269 59.709 56.400 0.066 0.000 0.799 268 E CB -0.063 29.628 29.700 -0.015 0.000 0.748 268 E HN -0.224 8.217 8.360 0.136 0.000 0.449 269 S N -0.572 115.178 115.700 0.083 0.000 2.368 269 S HA -0.295 nan 4.470 nan 0.000 0.224 269 S C 2.214 176.882 174.600 0.114 0.000 1.029 269 S CA 4.160 62.406 58.200 0.077 0.000 0.988 269 S CB -0.139 63.100 63.200 0.065 0.000 0.838 269 S HN 0.200 8.561 8.310 0.086 0.000 0.462 270 S N 2.668 118.467 115.700 0.165 0.000 2.382 270 S HA -0.270 nan 4.470 nan 0.000 0.228 270 S C 1.882 176.440 174.600 -0.070 0.000 1.027 270 S CA 3.475 61.790 58.200 0.193 0.000 0.991 270 S CB 0.005 63.398 63.200 0.322 0.000 0.823 270 S HN -0.258 8.164 8.310 0.187 0.000 0.469 271 L N 2.960 124.125 121.223 -0.097 0.000 2.056 271 L HA -0.254 nan 4.340 nan 0.000 0.207 271 L C 1.016 177.788 176.870 -0.164 0.000 1.078 271 L CA 2.800 57.459 54.840 -0.301 0.000 0.749 271 L CB -0.388 41.597 42.059 -0.123 0.000 0.901 271 L HN -0.349 7.915 8.230 0.056 0.000 0.433 272 K N -0.413 119.964 120.400 -0.039 0.000 2.063 272 K HA -0.385 nan 4.320 nan 0.000 0.208 272 K C 2.330 178.970 176.600 0.066 0.000 1.048 272 K CA 3.748 60.041 56.287 0.009 0.000 0.928 272 K CB -0.089 32.421 32.500 0.017 0.000 0.713 272 K HN -0.604 7.642 8.250 -0.006 0.000 0.442 273 V N -0.861 119.109 119.914 0.093 0.000 2.295 273 V HA -0.395 nan 4.120 nan 0.000 0.246 273 V C 1.783 178.028 176.094 0.252 0.000 1.049 273 V CA 3.883 66.318 62.300 0.224 0.000 1.024 273 V CB -0.911 31.113 31.823 0.334 0.000 0.648 273 V HN -0.249 7.986 8.190 0.075 0.000 0.447 274 A N -0.997 121.813 122.820 -0.016 0.000 1.883 274 A HA -0.414 nan 4.320 nan 0.000 0.217 274 A C 2.066 179.618 177.584 -0.054 0.000 1.186 274 A CA 3.616 55.558 52.037 -0.159 0.000 0.624 274 A CB -0.867 17.749 19.000 -0.639 0.000 0.822 274 A HN 0.297 8.252 8.150 -0.149 0.106 0.444 275 E N -1.942 118.223 120.200 -0.058 0.000 2.153 275 E HA -0.370 nan 4.350 nan 0.000 0.194 275 E C 2.362 179.003 176.600 0.069 0.000 0.988 275 E CA 2.431 58.817 56.400 -0.023 0.000 0.811 275 E CB -0.119 29.566 29.700 -0.025 0.000 0.746 275 E HN -0.151 8.151 8.360 -0.096 0.000 0.466 276 W N 0.236 121.517 121.300 -0.031 0.000 2.379 276 W HA -0.329 nan 4.660 nan 0.000 0.307 276 W C 2.143 178.673 176.519 0.018 0.000 1.200 276 W CA 3.673 61.024 57.345 0.009 0.000 1.297 276 W CB 0.120 29.605 29.460 0.041 0.000 1.140 276 W HN -0.536 7.723 8.180 0.297 0.099 0.507 277 L N -1.197 120.048 121.223 0.036 0.000 2.042 277 L HA -0.530 nan 4.340 nan 0.000 0.210 277 L C 2.509 179.246 176.870 -0.223 0.000 1.076 277 L CA 2.917 57.620 54.840 -0.227 0.000 0.749 277 L CB -0.543 41.447 42.059 -0.115 0.000 0.893 277 L HN 0.215 8.630 8.230 0.309 0.000 0.432 278 A N -1.550 121.198 122.820 -0.120 0.000 2.076 278 A HA -0.249 nan 4.320 nan 0.000 0.220 278 A C 1.139 178.636 177.584 -0.146 0.000 1.160 278 A CA 2.798 54.770 52.037 -0.109 0.000 0.653 278 A CB -0.622 18.325 19.000 -0.088 0.000 0.801 278 A HN 0.027 8.129 8.150 -0.065 0.010 0.455 279 E N -3.842 116.237 120.200 -0.201 0.000 2.501 279 E HA 0.052 nan 4.350 nan 0.000 0.201 279 E C -0.885 175.522 176.600 -0.321 0.000 1.016 279 E CA -1.009 55.260 56.400 -0.219 0.000 0.920 279 E CB 0.560 30.154 29.700 -0.178 0.000 1.023 279 E HN -0.433 7.635 8.360 -0.227 0.155 0.474 280 H N 1.171 119.938 119.070 -0.506 0.000 2.548 280 H HA 0.214 nan 4.556 nan 0.000 0.331 280 H C -0.663 174.385 175.328 -0.467 0.000 1.093 280 H CA -1.439 54.234 56.048 -0.625 0.000 1.367 280 H CB 1.128 30.308 29.762 -0.970 0.000 1.455 280 H HN -0.402 7.508 8.280 -0.314 0.181 0.519 281 P HA -0.268 nan 4.420 nan 0.000 0.218 281 P C 0.572 177.748 177.300 -0.207 0.000 1.148 281 P CA 2.389 65.284 63.100 -0.342 0.000 0.822 281 P CB 0.427 31.903 31.700 -0.374 0.000 0.784 282 Q N -4.634 115.067 119.800 -0.166 0.000 2.403 282 Q HA 0.034 nan 4.340 nan 0.000 0.203 282 Q C -0.840 175.093 176.000 -0.111 0.000 0.932 282 Q CA 0.621 56.330 55.803 -0.158 0.000 0.945 282 Q CB 0.530 29.126 28.738 -0.236 0.000 1.045 282 Q HN -0.105 8.128 8.270 -0.018 0.025 0.511 283 V N -0.900 118.934 119.914 -0.134 0.000 2.394 283 V HA 0.142 nan 4.120 nan 0.000 0.282 283 V C -1.232 174.857 176.094 -0.007 0.000 1.031 283 V CA -1.057 61.233 62.300 -0.017 0.000 0.881 283 V CB -0.029 31.748 31.823 -0.075 0.000 0.982 283 V HN -0.646 7.375 8.190 -0.174 0.064 0.451 284 A N 8.111 130.955 122.820 0.040 0.000 1.911 284 A HA 0.095 nan 4.320 nan 0.000 0.212 284 A C -0.459 177.134 177.584 0.016 0.000 1.189 284 A CA 1.521 53.569 52.037 0.018 0.000 0.639 284 A CB 1.429 20.447 19.000 0.030 0.000 0.839 284 A HN 0.817 8.919 8.150 0.087 0.100 0.449 285 R N -2.932 117.591 120.500 0.039 0.000 2.629 285 R HA 0.185 nan 4.340 nan 0.000 0.266 285 R C -2.567 173.781 176.300 0.079 0.000 1.051 285 R CA 0.030 56.145 56.100 0.026 0.000 0.895 285 R CB 2.818 33.115 30.300 -0.005 0.000 1.246 285 R HN -0.678 7.638 8.270 0.077 0.000 0.459 286 V N 3.090 123.046 119.914 0.070 0.000 2.409 286 V HA 0.437 nan 4.120 nan 0.000 0.291 286 V C -0.509 175.648 176.094 0.105 0.000 1.020 286 V CA -1.413 60.978 62.300 0.153 0.000 0.848 286 V CB 1.493 33.391 31.823 0.126 0.000 0.990 286 V HN 0.411 8.615 8.190 0.024 0.000 0.430 287 N N 9.572 128.361 118.700 0.149 0.000 2.918 287 N HA 0.195 nan 4.740 nan 0.000 0.247 287 N C -2.174 173.411 175.510 0.125 0.000 1.117 287 N CA -0.310 52.776 53.050 0.061 0.000 1.005 287 N CB 0.551 39.020 38.487 -0.030 0.000 1.297 287 N HN 0.786 9.192 8.380 0.221 0.105 0.513 288 H N 4.423 123.449 119.070 -0.074 0.000 2.823 288 H HA 0.321 nan 4.556 nan 0.000 0.332 288 H C -1.618 173.510 175.328 -0.334 0.000 0.980 288 H CA -3.463 52.468 56.048 -0.196 0.000 1.286 288 H CB 2.917 32.431 29.762 -0.413 0.000 1.541 288 H HN -0.622 7.682 8.280 0.040 0.000 0.521 289 P HA -0.332 nan 4.420 nan 0.000 0.217 289 P C -1.111 175.802 177.300 -0.644 0.000 1.151 289 P CA 2.273 65.066 63.100 -0.513 0.000 0.849 289 P CB 0.136 31.284 31.700 -0.920 0.000 0.787 290 A N -6.162 116.176 122.820 -0.804 0.000 2.238 290 A HA 0.060 nan 4.320 nan 0.000 0.208 290 A C -0.279 177.037 177.584 -0.447 0.000 1.177 290 A CA -0.026 51.344 52.037 -1.111 0.000 0.804 290 A CB 0.208 18.555 19.000 -1.088 0.000 0.823 290 A HN -0.241 7.759 8.150 -0.204 0.028 0.482 291 L N 0.338 121.312 121.223 -0.415 0.000 2.296 291 L HA 0.365 nan 4.340 nan 0.000 0.286 291 L C -2.518 173.938 176.870 -0.691 0.000 1.023 291 L CA -3.557 51.006 54.840 -0.462 0.000 0.812 291 L CB 1.734 43.582 42.059 -0.351 0.000 1.223 291 L HN -0.145 7.716 8.230 -0.308 0.184 0.421 292 P HA -0.057 nan 4.420 nan 0.000 0.265 292 P C -0.049 177.039 177.300 -0.353 0.000 1.187 292 P CA 1.028 63.685 63.100 -0.738 0.000 0.766 292 P CB 0.286 31.774 31.700 -0.353 0.000 0.820 293 G N 3.483 112.154 108.800 -0.214 0.000 2.199 293 G HA2 -0.301 nan 3.960 nan 0.000 0.254 293 G HA3 -0.301 nan 3.960 nan 0.000 0.254 293 G C -0.429 174.423 174.900 -0.080 0.000 0.982 293 G CA -0.146 44.890 45.100 -0.107 0.000 0.632 293 G HN 0.409 8.594 8.290 -0.175 0.000 0.529 294 S N 1.711 117.350 115.700 -0.102 0.000 2.584 294 S HA 0.063 nan 4.470 nan 0.000 0.273 294 S C 0.030 174.627 174.600 -0.005 0.000 1.311 294 S CA -0.017 58.149 58.200 -0.056 0.000 1.034 294 S CB 1.130 64.279 63.200 -0.084 0.000 0.939 294 S HN -0.397 7.723 8.310 -0.190 0.076 0.513 295 K N 5.108 125.504 120.400 -0.006 0.000 2.430 295 K HA -0.235 nan 4.320 nan 0.000 0.280 295 K C 0.578 177.208 176.600 0.049 0.000 1.063 295 K CA 1.685 57.988 56.287 0.027 0.000 1.071 295 K CB -0.524 31.993 32.500 0.027 0.000 0.899 295 K HN 0.649 8.886 8.250 -0.021 0.000 0.473 296 G N 5.210 114.060 108.800 0.084 0.000 2.143 296 G HA2 -0.471 nan 3.960 nan 0.000 0.249 296 G HA3 -0.471 nan 3.960 nan 0.000 0.249 296 G C 0.404 175.321 174.900 0.029 0.000 0.981 296 G CA 0.791 45.986 45.100 0.159 0.000 0.665 296 G HN 0.811 9.135 8.290 0.055 0.000 0.528 297 H N 2.270 121.293 119.070 -0.079 0.000 2.426 297 H HA -0.448 nan 4.556 nan 0.000 0.298 297 H C 0.650 175.988 175.328 0.017 0.000 1.107 297 H CA 4.634 60.672 56.048 -0.016 0.000 1.298 297 H CB 0.382 30.117 29.762 -0.044 0.000 1.377 297 H HN -0.096 8.189 8.280 0.092 0.050 0.519 298 E N -1.603 118.401 120.200 -0.325 0.000 2.110 298 E HA -0.338 nan 4.350 nan 0.000 0.193 298 E C 2.435 178.828 176.600 -0.345 0.000 0.988 298 E CA 3.201 59.346 56.400 -0.425 0.000 0.804 298 E CB -1.167 28.192 29.700 -0.568 0.000 0.745 298 E HN 0.556 8.723 8.360 -0.268 0.032 0.458 299 F N -0.976 118.998 119.950 0.041 0.000 2.234 299 F HA -0.115 nan 4.527 nan 0.000 0.296 299 F C 1.708 177.571 175.800 0.106 0.000 1.089 299 F CA 1.988 60.035 58.000 0.080 0.000 1.343 299 F CB -0.708 38.348 39.000 0.092 0.000 1.040 299 F HN -0.475 7.339 8.300 -0.598 0.127 0.498 300 W N 0.233 121.529 121.300 -0.008 0.000 2.358 300 W HA -0.483 nan 4.660 nan 0.000 0.303 300 W C 1.610 178.132 176.519 0.005 0.000 1.208 300 W CA 4.453 61.694 57.345 -0.174 0.000 1.274 300 W CB 0.197 29.387 29.460 -0.450 0.000 1.138 300 W HN -0.109 8.122 8.180 0.207 0.073 0.515 301 K N -1.022 119.279 120.400 -0.166 0.000 2.063 301 K HA -0.384 nan 4.320 nan 0.000 0.208 301 K C 1.824 178.300 176.600 -0.206 0.000 1.048 301 K CA 3.140 59.239 56.287 -0.312 0.000 0.928 301 K CB -0.201 32.166 32.500 -0.222 0.000 0.713 301 K HN -0.123 8.100 8.250 -0.044 0.000 0.442 302 R N -2.501 117.975 120.500 -0.040 0.000 2.080 302 R HA -0.123 nan 4.340 nan 0.000 0.222 302 R C 1.732 178.120 176.300 0.146 0.000 1.107 302 R CA 2.422 58.562 56.100 0.067 0.000 0.980 302 R CB 0.686 31.075 30.300 0.148 0.000 0.879 302 R HN -0.580 7.582 8.270 -0.007 0.104 0.439 303 D N -3.107 117.440 120.400 0.245 0.000 2.355 303 D HA 0.020 nan 4.640 nan 0.000 0.206 303 D C 0.253 176.753 176.300 0.334 0.000 1.010 303 D CA 1.563 55.787 54.000 0.374 0.000 0.875 303 D CB 1.226 42.248 40.800 0.369 0.000 0.966 303 D HN 0.060 8.473 8.370 0.249 0.106 0.512 304 F N -1.176 118.734 119.950 -0.066 0.000 2.408 304 F HA 0.106 nan 4.527 nan 0.000 0.325 304 F C 1.203 176.892 175.800 -0.185 0.000 1.082 304 F CA -0.549 57.404 58.000 -0.079 0.000 1.032 304 F CB 1.765 40.584 39.000 -0.301 0.000 1.259 304 F HN -0.448 8.007 8.300 0.259 0.000 0.503 305 T N -2.913 111.735 114.554 0.157 0.000 3.129 305 T HA 0.358 nan 4.350 nan 0.000 0.267 305 T C -0.279 174.531 174.700 0.183 0.000 1.018 305 T CA -0.897 61.261 62.100 0.097 0.000 0.903 305 T CB 0.234 69.158 68.868 0.093 0.000 1.067 305 T HN 0.495 8.887 8.240 0.253 0.000 0.549 306 G N 1.236 110.212 108.800 0.294 0.000 2.317 306 G HA2 -0.027 nan 3.960 nan 0.000 0.293 306 G HA3 -0.027 nan 3.960 nan 0.000 0.293 306 G C -2.970 172.291 174.900 0.602 0.000 1.287 306 G CA 0.671 46.057 45.100 0.477 0.000 0.850 306 G HN -0.587 7.813 8.290 0.293 0.066 0.515 307 S N -1.885 113.904 115.700 0.148 0.000 2.569 307 S HA 0.427 nan 4.470 nan 0.000 0.280 307 S C -1.530 172.815 174.600 -0.426 0.000 1.111 307 S CA -2.472 55.657 58.200 -0.118 0.000 0.887 307 S CB 1.936 64.967 63.200 -0.282 0.000 1.095 307 S HN 0.039 8.397 8.310 0.081 0.000 0.476 308 S N 2.071 117.213 115.700 -0.930 0.000 2.561 308 S HA 0.338 nan 4.470 nan 0.000 0.282 308 S C -0.113 174.276 174.600 -0.351 0.000 1.123 308 S CA -1.070 56.663 58.200 -0.778 0.000 1.011 308 S CB 2.649 65.120 63.200 -1.216 0.000 1.244 308 S HN 0.018 7.270 8.310 -1.763 0.000 0.503 309 G N -2.528 106.198 108.800 -0.123 0.000 3.502 309 G HA2 0.331 nan 3.960 nan 0.000 0.267 309 G HA3 0.331 nan 3.960 nan 0.000 0.267 309 G C -2.059 172.937 174.900 0.160 0.000 1.090 309 G CA -0.689 44.453 45.100 0.071 0.000 0.795 309 G HN 0.180 8.428 8.290 -0.070 0.000 0.535 310 L N 1.908 123.233 121.223 0.169 0.000 2.295 310 L HA 0.857 nan 4.340 nan 0.000 0.285 310 L C -2.464 174.555 176.870 0.249 0.000 1.035 310 L CA -0.242 54.671 54.840 0.120 0.000 0.806 310 L CB 1.409 43.300 42.059 -0.281 0.000 1.214 310 L HN -0.861 7.392 8.230 0.037 0.000 0.426 311 F N 3.297 123.196 119.950 -0.085 0.000 2.877 311 F HA 0.782 nan 4.527 nan 0.000 0.319 311 F C -3.070 172.697 175.800 -0.055 0.000 1.174 311 F CA -1.428 56.498 58.000 -0.123 0.000 0.903 311 F CB 2.586 41.465 39.000 -0.200 0.000 1.357 311 F HN 0.698 8.901 8.300 -0.162 0.000 0.472 312 S N -2.298 113.369 115.700 -0.055 0.000 2.618 312 S HA 0.967 nan 4.470 nan 0.000 0.277 312 S C -1.917 172.733 174.600 0.083 0.000 1.138 312 S CA -1.575 56.517 58.200 -0.180 0.000 0.844 312 S CB 3.062 66.123 63.200 -0.232 0.000 1.127 312 S HN 0.242 8.668 8.310 0.193 0.000 0.474 313 F N -4.642 115.228 119.950 -0.133 0.000 2.613 313 F HA 0.867 nan 4.527 nan 0.000 0.310 313 F C -2.490 173.228 175.800 -0.138 0.000 1.085 313 F CA -1.771 56.192 58.000 -0.061 0.000 0.945 313 F CB 2.762 41.795 39.000 0.055 0.000 1.298 313 F HN 0.540 8.533 8.300 -0.511 0.000 0.455 314 V N 0.312 120.218 119.914 -0.014 0.000 2.417 314 V HA 0.680 nan 4.120 nan 0.000 0.291 314 V C -0.746 175.388 176.094 0.065 0.000 1.024 314 V CA -1.544 60.670 62.300 -0.143 0.000 0.861 314 V CB 0.710 32.390 31.823 -0.238 0.000 0.985 314 V HN 0.926 9.075 8.190 0.121 0.113 0.436 315 L N 5.935 127.178 121.223 0.032 0.000 2.453 315 L HA -0.021 nan 4.340 nan 0.000 0.261 315 L C -0.436 176.465 176.870 0.051 0.000 1.179 315 L CA 0.357 55.257 54.840 0.100 0.000 0.813 315 L CB 0.467 42.553 42.059 0.045 0.000 1.110 315 L HN 0.339 8.522 8.230 -0.079 0.000 0.466 316 K N -1.475 118.949 120.400 0.039 0.000 2.217 316 K HA -0.231 nan 4.320 nan 0.000 0.202 316 K C 0.102 176.710 176.600 0.014 0.000 1.051 316 K CA 2.168 58.466 56.287 0.018 0.000 0.952 316 K CB 0.429 32.927 32.500 -0.003 0.000 0.736 316 K HN 0.047 8.323 8.250 0.044 0.000 0.453 317 K N -2.426 117.979 120.400 0.008 0.000 2.281 317 K HA 0.186 nan 4.320 nan 0.000 0.242 317 K C -1.518 175.075 176.600 -0.010 0.000 0.971 317 K CA -1.615 54.671 56.287 -0.002 0.000 0.834 317 K CB 2.286 34.782 32.500 -0.008 0.000 1.181 317 K HN -0.475 7.764 8.250 0.010 0.017 0.435 318 K N 2.284 122.675 120.400 -0.014 0.000 2.262 318 K HA 0.113 nan 4.320 nan 0.000 0.282 318 K C -0.461 176.120 176.600 -0.032 0.000 1.066 318 K CA -0.780 55.492 56.287 -0.025 0.000 0.901 318 K CB 0.140 32.623 32.500 -0.028 0.000 1.089 318 K HN 0.093 8.336 8.250 -0.012 0.000 0.476 319 L N 7.190 128.386 121.223 -0.044 0.000 2.426 319 L HA -0.076 nan 4.340 nan 0.000 0.271 319 L C -0.276 176.581 176.870 -0.021 0.000 1.169 319 L CA 0.293 55.111 54.840 -0.037 0.000 0.836 319 L CB 0.344 42.371 42.059 -0.053 0.000 1.112 319 L HN 0.274 8.471 8.230 -0.056 0.000 0.465 320 N N 1.047 119.743 118.700 -0.007 0.000 2.413 320 N HA -0.023 nan 4.740 nan 0.000 0.266 320 N C 0.521 176.040 175.510 0.014 0.000 1.238 320 N CA -0.729 52.321 53.050 0.000 0.000 0.972 320 N CB 0.822 39.311 38.487 0.003 0.000 1.210 320 N HN -0.258 8.405 8.380 -0.005 -0.286 0.547 321 N N -0.671 118.040 118.700 0.019 0.000 2.094 321 N HA -0.365 nan 4.740 nan 0.000 0.191 321 N C 2.331 177.862 175.510 0.036 0.000 1.023 321 N CA 3.192 56.260 53.050 0.030 0.000 0.857 321 N CB -0.451 38.053 38.487 0.029 0.000 1.013 321 N HN 0.441 8.830 8.380 0.015 0.000 0.426 322 E N -0.031 120.187 120.200 0.031 0.000 2.072 322 E HA -0.354 nan 4.350 nan 0.000 0.191 322 E C 2.461 179.089 176.600 0.047 0.000 0.985 322 E CA 3.148 59.569 56.400 0.035 0.000 0.801 322 E CB 0.015 29.731 29.700 0.027 0.000 0.750 322 E HN -0.054 8.469 8.360 0.025 -0.148 0.452 323 E N 0.422 120.648 120.200 0.043 0.000 2.106 323 E HA -0.303 nan 4.350 nan 0.000 0.192 323 E C 2.664 179.320 176.600 0.094 0.000 0.984 323 E CA 2.739 59.172 56.400 0.055 0.000 0.806 323 E CB -0.086 29.629 29.700 0.026 0.000 0.750 323 E HN -0.143 8.605 8.360 0.032 -0.369 0.458 324 L N -0.864 120.408 121.223 0.081 0.000 2.012 324 L HA -0.400 nan 4.340 nan 0.000 0.210 324 L C 1.817 178.775 176.870 0.147 0.000 1.073 324 L CA 3.138 58.050 54.840 0.120 0.000 0.748 324 L CB -0.287 41.819 42.059 0.078 0.000 0.891 324 L HN 0.324 8.587 8.230 0.054 0.000 0.431 325 A N -1.823 121.056 122.820 0.098 0.000 1.877 325 A HA -0.447 nan 4.320 nan 0.000 0.216 325 A C 1.975 179.615 177.584 0.093 0.000 1.186 325 A CA 3.379 55.465 52.037 0.081 0.000 0.620 325 A CB -1.022 18.011 19.000 0.055 0.000 0.822 325 A HN -0.058 8.138 8.150 0.077 0.000 0.443 326 N N -1.358 117.400 118.700 0.097 0.000 2.166 326 N HA -0.303 nan 4.740 nan 0.000 0.186 326 N C 1.736 177.323 175.510 0.128 0.000 1.019 326 N CA 2.794 55.898 53.050 0.090 0.000 0.856 326 N CB 0.096 38.631 38.487 0.079 0.000 0.993 326 N HN -0.388 8.046 8.380 0.091 0.000 0.426 327 Y N 0.789 121.113 120.300 0.041 0.000 2.114 327 Y HA -0.263 nan 4.550 nan 0.000 0.284 327 Y C 1.862 177.877 175.900 0.192 0.000 1.119 327 Y CA 3.629 61.770 58.100 0.069 0.000 1.108 327 Y CB 0.324 38.835 38.460 0.084 0.000 0.995 327 Y HN -0.091 8.345 8.280 0.278 0.011 0.491 328 L N -2.073 119.240 121.223 0.150 0.000 2.056 328 L HA -0.448 nan 4.340 nan 0.000 0.207 328 L C 2.579 179.526 176.870 0.129 0.000 1.078 328 L CA 3.014 57.906 54.840 0.088 0.000 0.749 328 L CB -0.493 41.597 42.059 0.052 0.000 0.901 328 L HN 0.190 8.582 8.230 0.270 0.000 0.433 329 D N -1.450 119.000 120.400 0.083 0.000 2.350 329 D HA -0.168 nan 4.640 nan 0.000 0.216 329 D C 0.852 177.182 176.300 0.050 0.000 0.968 329 D CA 2.495 56.531 54.000 0.059 0.000 0.894 329 D CB -0.514 40.311 40.800 0.041 0.000 0.909 329 D HN 0.252 8.566 8.370 0.083 0.106 0.520 330 N N -2.114 116.599 118.700 0.021 0.000 2.234 330 N HA 0.035 nan 4.740 nan 0.000 0.227 330 N C -0.767 174.671 175.510 -0.121 0.000 1.151 330 N CA -0.142 52.878 53.050 -0.050 0.000 0.865 330 N CB 0.935 39.369 38.487 -0.088 0.000 1.066 330 N HN -0.746 7.591 8.380 0.020 0.056 0.515 331 F N 0.749 120.650 119.950 -0.082 0.000 2.418 331 F HA -0.027 nan 4.527 nan 0.000 0.341 331 F C 0.549 176.349 175.800 0.000 0.000 1.120 331 F CA 1.336 59.306 58.000 -0.050 0.000 1.232 331 F CB 0.787 39.761 39.000 -0.044 0.000 1.175 331 F HN -0.758 7.697 8.300 0.258 0.000 0.569 332 S N 2.789 118.590 115.700 0.168 0.000 2.475 332 S HA 0.054 nan 4.470 nan 0.000 0.224 332 S C 0.270 174.936 174.600 0.111 0.000 1.042 332 S CA 2.165 60.426 58.200 0.102 0.000 0.935 332 S CB 0.936 64.165 63.200 0.049 0.000 0.801 332 S HN 0.262 9.101 8.310 0.160 -0.433 0.509 333 L N -1.821 119.502 121.223 0.165 0.000 2.547 333 L HA 0.040 nan 4.340 nan 0.000 0.218 333 L C -0.097 176.742 176.870 -0.053 0.000 1.048 333 L CA 0.867 55.724 54.840 0.030 0.000 0.859 333 L CB 1.331 43.359 42.059 -0.051 0.000 1.128 333 L HN -0.456 8.293 8.230 0.291 -0.345 0.483 334 F N -0.952 119.025 119.950 0.045 0.000 2.412 334 F HA -0.121 nan 4.527 nan 0.000 0.348 334 F C -0.603 175.136 175.800 -0.102 0.000 1.102 334 F CA 1.198 59.139 58.000 -0.099 0.000 1.196 334 F CB 0.895 39.672 39.000 -0.370 0.000 1.144 334 F HN -0.835 7.996 8.300 0.534 -0.210 0.541 335 S N 3.043 118.767 115.700 0.040 0.000 2.568 335 S HA 0.320 nan 4.470 nan 0.000 0.302 335 S C -1.274 173.298 174.600 -0.048 0.000 1.082 335 S CA -1.293 56.904 58.200 -0.005 0.000 1.009 335 S CB 2.663 65.850 63.200 -0.022 0.000 1.069 335 S HN 0.110 8.432 8.310 0.019 0.000 0.500 336 M N 3.683 123.236 119.600 -0.079 0.000 2.108 336 M HA 0.186 nan 4.480 nan 0.000 0.354 336 M C -1.294 174.905 176.300 -0.169 0.000 1.229 336 M CA 0.520 55.739 55.300 -0.135 0.000 1.081 336 M CB 0.648 33.165 32.600 -0.138 0.000 1.606 336 M HN 0.391 8.645 8.290 -0.060 0.000 0.467 337 A N 4.092 126.780 122.820 -0.218 0.000 2.583 337 A HA 0.201 nan 4.320 nan 0.000 0.292 337 A C -2.701 174.736 177.584 -0.245 0.000 1.045 337 A CA -0.480 51.410 52.037 -0.246 0.000 0.672 337 A CB 2.046 20.979 19.000 -0.113 0.000 1.283 337 A HN 0.048 8.078 8.150 -0.200 0.000 0.419 338 Y N -0.162 120.152 120.300 0.023 0.000 2.340 338 Y HA 0.184 nan 4.550 nan 0.000 0.327 338 Y C 0.361 176.290 175.900 0.048 0.000 1.321 338 Y CA -0.620 57.515 58.100 0.059 0.000 1.433 338 Y CB 0.722 39.216 38.460 0.057 0.000 1.373 338 Y HN 0.149 8.350 8.280 -0.131 0.000 0.538 339 S N -1.857 114.020 115.700 0.294 0.000 3.976 339 S HA -0.165 nan 4.470 nan 0.000 0.652 339 S C -2.216 172.457 174.600 0.122 0.000 1.522 339 S CA 0.572 58.802 58.200 0.050 0.000 1.667 339 S CB 0.089 63.235 63.200 -0.090 0.000 0.332 339 S HN 0.265 8.831 8.310 0.426 0.000 1.594 340 W N -3.316 117.795 121.300 -0.315 0.000 2.748 340 W HA 0.063 nan 4.660 nan 0.000 0.436 340 W C -0.995 175.002 176.519 -0.869 0.000 1.018 340 W CA -0.319 56.652 57.345 -0.623 0.000 1.152 340 W CB -0.015 29.152 29.460 -0.488 0.000 1.471 340 W HN -0.180 7.639 8.180 -0.603 0.000 0.594 341 G N -1.364 106.754 108.800 -1.137 0.000 2.141 341 G HA2 -0.399 nan 3.960 nan 0.000 0.242 341 G HA3 -0.399 nan 3.960 nan 0.000 0.242 341 G C -1.147 173.312 174.900 -0.735 0.000 0.982 341 G CA 0.377 44.611 45.100 -1.443 0.000 0.662 341 G HN -0.003 7.124 8.290 -1.939 0.000 0.527 342 G N -1.065 107.414 108.800 -0.535 0.000 2.583 342 G HA2 0.154 nan 3.960 nan 0.000 0.280 342 G HA3 0.154 nan 3.960 nan 0.000 0.280 342 G C -0.277 174.643 174.900 0.033 0.000 1.376 342 G CA -1.722 43.210 45.100 -0.281 0.000 1.043 342 G HN -0.597 7.187 8.290 -0.765 0.046 0.538 343 Y N -7.018 113.316 120.300 0.057 0.000 2.523 343 Y HA 0.031 nan 4.550 nan 0.000 0.279 343 Y C -0.906 175.061 175.900 0.112 0.000 1.139 343 Y CA -0.466 57.692 58.100 0.097 0.000 1.296 343 Y CB 0.169 38.615 38.460 -0.024 0.000 1.045 343 Y HN 0.022 7.877 8.280 -0.709 0.000 0.538 344 E N -0.077 120.092 120.200 -0.051 0.000 2.235 344 E HA 0.359 nan 4.350 nan 0.000 0.265 344 E C -1.430 175.201 176.600 0.051 0.000 0.940 344 E CA -2.389 54.019 56.400 0.014 0.000 0.819 344 E CB 1.925 31.583 29.700 -0.070 0.000 1.206 344 E HN -0.579 7.522 8.360 -0.339 0.056 0.409 345 S N 0.742 116.385 115.700 -0.094 0.000 2.565 345 S HA 0.537 nan 4.470 nan 0.000 0.274 345 S C -0.689 173.866 174.600 -0.076 0.000 1.309 345 S CA 0.279 58.363 58.200 -0.193 0.000 1.043 345 S CB 0.663 63.387 63.200 -0.793 0.000 0.939 345 S HN 0.231 8.768 8.310 -0.162 -0.324 0.504 346 L N 2.581 123.895 121.223 0.151 0.000 2.371 346 L HA 0.931 nan 4.340 nan 0.000 0.262 346 L C -1.911 175.071 176.870 0.188 0.000 1.006 346 L CA -1.304 53.626 54.840 0.150 0.000 0.818 346 L CB 4.193 46.306 42.059 0.091 0.000 1.354 346 L HN 0.437 8.805 8.230 0.229 0.000 0.415 347 I N 0.225 120.797 120.570 0.003 0.000 2.619 347 I HA 0.747 nan 4.170 nan 0.000 0.292 347 I C -2.368 173.637 176.117 -0.187 0.000 1.100 347 I CA -1.279 59.909 61.300 -0.186 0.000 1.043 347 I CB 3.255 40.944 38.000 -0.518 0.000 1.239 347 I HN 0.379 8.570 8.210 -0.031 0.000 0.420 348 L N 6.246 127.362 121.223 -0.177 0.000 2.445 348 L HA 0.461 nan 4.340 nan 0.000 0.262 348 L C -2.018 174.779 176.870 -0.123 0.000 0.974 348 L CA -0.883 53.883 54.840 -0.124 0.000 0.822 348 L CB 4.879 46.903 42.059 -0.058 0.000 1.339 348 L HN 0.304 8.412 8.230 -0.204 0.000 0.409 349 A N 1.491 124.272 122.820 -0.066 0.000 2.340 349 A HA 0.727 nan 4.320 nan 0.000 0.331 349 A C -1.174 176.413 177.584 0.006 0.000 1.140 349 A CA -1.389 50.614 52.037 -0.057 0.000 0.801 349 A CB 1.926 20.920 19.000 -0.010 0.000 1.234 349 A HN 0.198 8.324 8.150 -0.040 0.000 0.469 350 N N 0.639 119.331 118.700 -0.013 0.000 2.371 350 N HA 0.223 nan 4.740 nan 0.000 0.291 350 N C -1.357 174.139 175.510 -0.023 0.000 1.053 350 N CA -0.498 52.589 53.050 0.063 0.000 0.870 350 N CB 3.838 42.368 38.487 0.072 0.000 1.503 350 N HN 0.590 8.826 8.380 -0.075 0.100 0.485 351 Q N 2.648 122.314 119.800 -0.222 0.000 2.299 351 Q HA 0.357 nan 4.340 nan 0.000 0.246 351 Q C -0.780 175.085 176.000 -0.226 0.000 0.935 351 Q CA -1.996 53.600 55.803 -0.345 0.000 0.887 351 Q CB -0.701 27.627 28.738 -0.683 0.000 1.223 351 Q HN -0.360 7.758 8.270 -0.252 0.000 0.439 352 P HA -0.287 nan 4.420 nan 0.000 0.217 352 P C 0.642 177.815 177.300 -0.211 0.000 1.151 352 P CA 3.071 66.047 63.100 -0.207 0.000 0.849 352 P CB 0.116 31.635 31.700 -0.302 0.000 0.787 353 E N -3.315 116.771 120.200 -0.191 0.000 2.110 353 E HA -0.325 nan 4.350 nan 0.000 0.193 353 E C 2.438 179.053 176.600 0.027 0.000 0.988 353 E CA 3.488 59.831 56.400 -0.095 0.000 0.804 353 E CB -1.162 28.503 29.700 -0.059 0.000 0.745 353 E HN 0.421 8.621 8.360 -0.233 0.019 0.458 354 H N -0.141 118.902 119.070 -0.044 0.000 2.353 354 H HA -0.263 nan 4.556 nan 0.000 0.300 354 H C 2.508 177.810 175.328 -0.042 0.000 1.090 354 H CA 1.902 57.929 56.048 -0.036 0.000 1.327 354 H CB 0.104 29.859 29.762 -0.012 0.000 1.383 354 H HN -0.454 7.585 8.280 -0.185 0.130 0.508 355 I N -1.659 118.969 120.570 0.096 0.000 2.202 355 I HA -0.389 nan 4.170 nan 0.000 0.242 355 I C 2.244 178.345 176.117 -0.026 0.000 1.091 355 I CA 1.460 62.790 61.300 0.050 0.000 1.368 355 I CB -1.562 36.516 38.000 0.130 0.000 1.058 355 I HN -0.676 7.582 8.210 0.079 0.000 0.410 356 A N -0.182 122.595 122.820 -0.071 0.000 1.948 356 A HA -0.338 nan 4.320 nan 0.000 0.220 356 A C 2.174 179.704 177.584 -0.090 0.000 1.177 356 A CA 3.127 55.105 52.037 -0.099 0.000 0.636 356 A CB -0.989 17.939 19.000 -0.120 0.000 0.815 356 A HN -0.109 7.989 8.150 -0.087 0.000 0.449 357 A N -1.894 120.886 122.820 -0.068 0.000 2.015 357 A HA -0.155 nan 4.320 nan 0.000 0.219 357 A C 0.848 178.353 177.584 -0.132 0.000 1.163 357 A CA 2.296 54.282 52.037 -0.084 0.000 0.646 357 A CB -0.034 18.932 19.000 -0.056 0.000 0.806 357 A HN -0.403 7.710 8.150 -0.037 0.015 0.448 358 I N -7.902 112.590 120.570 -0.129 0.000 3.736 358 I HA 0.229 nan 4.170 nan 0.000 0.338 358 I C -0.888 175.103 176.117 -0.211 0.000 1.558 358 I CA -0.659 60.531 61.300 -0.183 0.000 1.147 358 I CB 0.604 38.519 38.000 -0.143 0.000 1.275 358 I HN -0.453 7.548 8.210 -0.089 0.156 0.454 359 R N 1.200 121.576 120.500 -0.207 0.000 2.629 359 R HA 0.514 nan 4.340 nan 0.000 0.277 359 R C -2.619 173.534 176.300 -0.245 0.000 1.637 359 R CA -3.879 52.105 56.100 -0.194 0.000 1.663 359 R CB -0.174 30.063 30.300 -0.105 0.000 1.228 359 R HN -0.543 7.540 8.270 -0.187 0.075 0.632 360 P HA -0.089 nan 4.420 nan 0.000 0.265 360 P C -1.107 176.072 177.300 -0.202 0.000 1.193 360 P CA 0.308 63.108 63.100 -0.500 0.000 0.765 360 P CB 0.328 31.203 31.700 -1.373 0.000 0.823 361 Q N -0.994 118.774 119.800 -0.054 0.000 2.461 361 Q HA -0.342 nan 4.340 nan 0.000 0.273 361 Q C -0.676 175.355 176.000 0.051 0.000 1.163 361 Q CA 1.290 57.130 55.803 0.062 0.000 0.929 361 Q CB -2.059 26.794 28.738 0.190 0.000 1.334 361 Q HN 0.417 8.644 8.270 -0.071 0.000 0.499 362 G N -3.882 104.916 108.800 -0.004 0.000 2.766 362 G HA2 0.324 nan 3.960 nan 0.000 0.288 362 G HA3 0.324 nan 3.960 nan 0.000 0.288 362 G C -2.331 172.559 174.900 -0.016 0.000 1.408 362 G CA -0.474 44.630 45.100 0.006 0.000 0.852 362 G HN -0.734 7.509 8.290 -0.044 0.021 0.487 363 E N -1.141 119.053 120.200 -0.010 0.000 2.314 363 E HA 0.193 nan 4.350 nan 0.000 0.272 363 E C -1.284 175.289 176.600 -0.044 0.000 0.884 363 E CA -0.603 55.777 56.400 -0.033 0.000 0.753 363 E CB 1.933 31.622 29.700 -0.019 0.000 1.213 363 E HN 0.162 8.527 8.360 0.008 0.000 0.432 364 I N 1.147 121.655 120.570 -0.103 0.000 2.581 364 I HA -0.012 nan 4.170 nan 0.000 0.288 364 I C 0.346 176.376 176.117 -0.145 0.000 1.047 364 I CA -0.165 61.035 61.300 -0.168 0.000 1.374 364 I CB 1.162 38.928 38.000 -0.389 0.000 1.423 364 I HN 0.049 8.187 8.210 -0.120 0.000 0.549 365 D N 5.548 125.917 120.400 -0.051 0.000 2.788 365 D HA 0.034 nan 4.640 nan 0.000 0.289 365 D C -1.281 175.094 176.300 0.125 0.000 1.340 365 D CA -0.248 53.767 54.000 0.025 0.000 0.831 365 D CB 0.087 40.932 40.800 0.076 0.000 1.103 365 D HN 0.256 8.663 8.370 0.062 0.000 0.476 366 F N -4.588 115.346 119.950 -0.026 0.000 2.668 366 F HA 0.398 nan 4.527 nan 0.000 0.309 366 F C -1.160 174.617 175.800 -0.038 0.000 1.117 366 F CA -0.863 57.119 58.000 -0.029 0.000 0.951 366 F CB 2.007 40.988 39.000 -0.031 0.000 1.323 366 F HN -0.714 7.294 8.300 -0.487 0.000 0.451 367 S N -0.015 115.750 115.700 0.108 0.000 2.604 367 S HA 0.024 nan 4.470 nan 0.000 0.235 367 S C 0.115 174.764 174.600 0.082 0.000 1.043 367 S CA -0.082 58.119 58.200 0.002 0.000 0.997 367 S CB 0.991 64.180 63.200 -0.018 0.000 0.956 367 S HN 0.304 8.735 8.310 0.203 0.000 0.535 368 G N 2.246 111.159 108.800 0.188 0.000 2.528 368 G HA2 0.103 nan 3.960 nan 0.000 0.289 368 G HA3 0.103 nan 3.960 nan 0.000 0.289 368 G C -0.230 174.749 174.900 0.133 0.000 1.192 368 G CA -0.589 44.577 45.100 0.110 0.000 0.921 368 G HN -0.575 7.878 8.290 0.272 0.000 0.512 369 T N 2.246 116.810 114.554 0.018 0.000 2.916 369 T HA -0.101 nan 4.350 nan 0.000 0.303 369 T C -0.972 173.656 174.700 -0.120 0.000 1.025 369 T CA 2.280 64.360 62.100 -0.033 0.000 1.142 369 T CB 0.440 69.256 68.868 -0.086 0.000 0.947 369 T HN -0.280 7.954 8.240 -0.009 0.000 0.544 370 L N 5.957 127.093 121.223 -0.146 0.000 2.295 370 L HA 0.930 nan 4.340 nan 0.000 0.285 370 L C -2.168 174.470 176.870 -0.387 0.000 1.035 370 L CA -1.089 53.546 54.840 -0.342 0.000 0.806 370 L CB 2.195 44.033 42.059 -0.369 0.000 1.214 370 L HN 0.528 8.729 8.230 -0.049 0.000 0.426 371 I N 5.200 125.366 120.570 -0.674 0.000 2.389 371 I HA 0.591 nan 4.170 nan 0.000 0.288 371 I C -2.153 173.588 176.117 -0.626 0.000 0.999 371 I CA -1.952 58.924 61.300 -0.708 0.000 1.129 371 I CB 0.626 37.948 38.000 -1.130 0.000 1.288 371 I HN 1.011 8.700 8.210 -0.870 0.000 0.444 372 R N 7.384 127.655 120.500 -0.382 0.000 2.346 372 R HA 0.761 nan 4.340 nan 0.000 0.311 372 R C -2.039 174.083 176.300 -0.296 0.000 0.983 372 R CA -1.383 54.525 56.100 -0.321 0.000 0.880 372 R CB 2.083 32.255 30.300 -0.214 0.000 1.100 372 R HN 0.907 8.995 8.270 -0.303 0.000 0.453 373 L N 4.848 125.848 121.223 -0.371 0.000 2.362 373 L HA 0.625 nan 4.340 nan 0.000 0.271 373 L C -2.135 174.663 176.870 -0.120 0.000 1.002 373 L CA -1.497 53.194 54.840 -0.248 0.000 0.818 373 L CB 3.384 45.229 42.059 -0.356 0.000 1.298 373 L HN 0.851 8.774 8.230 -0.512 0.000 0.420 374 H N 3.886 122.960 119.070 0.007 0.000 2.539 374 H HA 0.492 nan 4.556 nan 0.000 0.332 374 H C -1.299 174.129 175.328 0.166 0.000 1.031 374 H CA -2.027 54.055 56.048 0.057 0.000 1.206 374 H CB 2.708 32.500 29.762 0.051 0.000 1.446 374 H HN 0.506 8.901 8.280 0.192 0.000 0.496 375 I N 8.743 129.122 120.570 -0.319 0.000 2.301 375 I HA 0.134 nan 4.170 nan 0.000 0.292 375 I C -0.592 175.408 176.117 -0.195 0.000 1.046 375 I CA -1.968 59.274 61.300 -0.097 0.000 1.282 375 I CB -1.720 36.381 38.000 0.168 0.000 1.409 375 I HN 0.462 8.510 8.210 -0.269 0.000 0.484 376 G N 6.886 115.640 108.800 -0.077 0.000 2.624 376 G HA2 0.378 nan 3.960 nan 0.000 0.217 376 G HA3 0.378 nan 3.960 nan 0.000 0.217 376 G C 0.160 175.116 174.900 0.094 0.000 1.506 376 G CA -0.929 44.257 45.100 0.143 0.000 1.072 376 G HN 0.479 8.697 8.290 -0.121 0.000 0.568 377 L N -1.565 119.704 121.223 0.076 0.000 2.667 377 L HA 0.083 nan 4.340 nan 0.000 0.232 377 L C 0.276 177.138 176.870 -0.014 0.000 1.138 377 L CA -0.313 54.519 54.840 -0.013 0.000 0.921 377 L CB -0.194 41.864 42.059 -0.002 0.000 1.180 377 L HN 0.290 8.504 8.230 0.147 0.105 0.487 378 E N -1.549 118.641 120.200 -0.017 0.000 2.416 378 E HA -0.084 nan 4.350 nan 0.000 0.254 378 E C -0.889 175.688 176.600 -0.039 0.000 1.241 378 E CA 0.046 56.425 56.400 -0.035 0.000 0.969 378 E CB 0.523 30.180 29.700 -0.072 0.000 0.999 378 E HN -0.506 7.771 8.360 -0.017 0.073 0.481 379 D N 0.289 120.667 120.400 -0.037 0.000 2.417 379 D HA -0.131 nan 4.640 nan 0.000 0.250 379 D C 1.195 177.473 176.300 -0.036 0.000 1.166 379 D CA 0.864 54.844 54.000 -0.033 0.000 0.881 379 D CB 1.239 42.021 40.800 -0.030 0.000 1.164 379 D HN 0.204 8.553 8.370 -0.036 0.000 0.467 380 V N 6.719 126.615 119.914 -0.029 0.000 2.469 380 V HA -0.360 nan 4.120 nan 0.000 0.251 380 V C 1.254 177.315 176.094 -0.054 0.000 1.064 380 V CA 2.906 65.191 62.300 -0.026 0.000 1.066 380 V CB 0.214 32.030 31.823 -0.012 0.000 0.667 380 V HN 0.699 8.873 8.190 -0.026 0.000 0.461 381 D N -1.712 118.652 120.400 -0.060 0.000 2.178 381 D HA -0.243 nan 4.640 nan 0.000 0.202 381 D C 2.242 178.497 176.300 -0.075 0.000 0.974 381 D CA 3.827 57.777 54.000 -0.083 0.000 0.841 381 D CB -0.834 39.929 40.800 -0.061 0.000 0.953 381 D HN -0.181 8.330 8.370 -0.046 -0.169 0.478 382 D N 0.543 120.915 120.400 -0.046 0.000 2.144 382 D HA -0.135 nan 4.640 nan 0.000 0.200 382 D C 2.505 178.803 176.300 -0.005 0.000 0.978 382 D CA 2.893 56.877 54.000 -0.028 0.000 0.833 382 D CB -0.187 40.598 40.800 -0.025 0.000 0.961 382 D HN -0.745 7.662 8.370 -0.042 -0.062 0.470 383 L N -0.525 120.696 121.223 -0.003 0.000 2.056 383 L HA -0.334 nan 4.340 nan 0.000 0.207 383 L C 2.077 179.017 176.870 0.117 0.000 1.078 383 L CA 3.145 58.049 54.840 0.107 0.000 0.749 383 L CB -0.142 41.961 42.059 0.075 0.000 0.901 383 L HN -0.618 7.502 8.230 -0.028 0.093 0.433 384 I N -1.128 119.375 120.570 -0.111 0.000 2.226 384 I HA -0.600 nan 4.170 nan 0.000 0.245 384 I C 1.555 177.467 176.117 -0.341 0.000 1.100 384 I CA 4.155 65.186 61.300 -0.448 0.000 1.374 384 I CB -0.445 37.127 38.000 -0.714 0.000 1.057 384 I HN 0.025 8.167 8.210 -0.113 0.000 0.413 385 A N -0.620 122.105 122.820 -0.158 0.000 1.908 385 A HA -0.429 nan 4.320 nan 0.000 0.218 385 A C 1.784 179.368 177.584 0.000 0.000 1.181 385 A CA 3.558 55.559 52.037 -0.059 0.000 0.627 385 A CB -1.166 17.816 19.000 -0.031 0.000 0.818 385 A HN -0.055 8.012 8.150 -0.139 0.000 0.445 386 D N -1.066 119.366 120.400 0.054 0.000 2.117 386 D HA -0.198 nan 4.640 nan 0.000 0.198 386 D C 2.285 178.617 176.300 0.054 0.000 0.982 386 D CA 2.808 56.870 54.000 0.103 0.000 0.828 386 D CB -0.010 40.993 40.800 0.337 0.000 0.967 386 D HN -0.618 7.699 8.370 0.067 0.093 0.464 387 L N -0.874 120.426 121.223 0.128 0.000 2.056 387 L HA -0.417 nan 4.340 nan 0.000 0.207 387 L C 1.917 178.864 176.870 0.128 0.000 1.078 387 L CA 3.147 58.043 54.840 0.094 0.000 0.749 387 L CB -0.183 41.936 42.059 0.100 0.000 0.901 387 L HN -0.301 7.933 8.230 0.129 0.074 0.433 388 D N -0.805 119.771 120.400 0.292 0.000 2.104 388 D HA -0.352 nan 4.640 nan 0.000 0.194 388 D C 2.060 178.530 176.300 0.284 0.000 0.994 388 D CA 3.427 57.732 54.000 0.507 0.000 0.830 388 D CB -0.166 40.876 40.800 0.404 0.000 0.959 388 D HN 0.140 8.578 8.370 0.113 0.000 0.452 389 A N -2.021 120.853 122.820 0.090 0.000 1.933 389 A HA -0.184 nan 4.320 nan 0.000 0.218 389 A C 2.348 179.886 177.584 -0.076 0.000 1.175 389 A CA 2.843 54.879 52.037 -0.002 0.000 0.628 389 A CB -0.569 18.382 19.000 -0.082 0.000 0.814 389 A HN -0.168 8.015 8.150 0.056 0.000 0.444 390 G N -1.448 107.207 108.800 -0.242 0.000 2.418 390 G HA2 -0.275 nan 3.960 nan 0.000 0.217 390 G HA3 -0.275 nan 3.960 nan 0.000 0.217 390 G C 1.509 176.500 174.900 0.152 0.000 1.158 390 G CA 1.688 46.604 45.100 -0.307 0.000 0.771 390 G HN -0.461 7.558 8.290 -0.261 0.114 0.545 391 F N 1.703 121.789 119.950 0.226 0.000 2.126 391 F HA -0.334 nan 4.527 nan 0.000 0.299 391 F C 2.475 178.351 175.800 0.127 0.000 1.096 391 F CA 2.385 60.482 58.000 0.161 0.000 1.255 391 F CB -0.535 38.504 39.000 0.065 0.000 0.997 391 F HN -0.231 8.104 8.300 0.057 0.000 0.479 392 A N -2.435 120.568 122.820 0.306 0.000 2.024 392 A HA -0.271 nan 4.320 nan 0.000 0.220 392 A C 2.231 179.894 177.584 0.131 0.000 1.164 392 A CA 2.865 55.014 52.037 0.188 0.000 0.643 392 A CB -0.980 18.105 19.000 0.141 0.000 0.806 392 A HN -0.156 8.173 8.150 0.309 0.007 0.451 393 R N -1.400 119.176 120.500 0.125 0.000 2.148 393 R HA -0.140 nan 4.340 nan 0.000 0.223 393 R C 0.932 177.301 176.300 0.115 0.000 1.088 393 R CA 2.151 58.308 56.100 0.096 0.000 0.985 393 R CB 0.373 30.717 30.300 0.073 0.000 0.880 393 R HN -0.439 7.763 8.270 0.137 0.150 0.451 394 I N -7.938 112.718 120.570 0.144 0.000 3.974 394 I HA 0.245 nan 4.170 nan 0.000 0.334 394 I C -0.757 175.411 176.117 0.085 0.000 1.437 394 I CA -0.647 60.709 61.300 0.094 0.000 1.113 394 I CB 0.836 38.854 38.000 0.030 0.000 1.063 394 I HN -0.382 7.787 8.210 0.191 0.155 0.400 395 V N 0.000 119.973 119.914 0.099 0.000 2.409 395 V HA 0.000 nan 4.120 nan 0.000 0.244 395 V CA 0.000 62.345 62.300 0.075 0.000 1.235 395 V CB 0.000 31.873 31.823 0.083 0.000 1.184 395 V HN 0.000 8.091 8.190 0.112 0.167 0.556