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 2p85_1_D DATA FIRST_RESID 31 DATA SEQUENCE GKLPPGPTPL PFIGNYLQLN TEQMYNSLMK ISERYGPVFT IHLGPRRVVV DATA SEQUENCE LCGHDAVKEA LVDQAEEFSG RGEQATFDWL FKGYGVAFSN GERAKQLRRF DATA SEQUENCE SIATLRGFGV GKRGIEERIQ EEAGFLIDAL RGTHGANIDP TFFLSRTVSN DATA SEQUENCE VISSIVFGDR FDYEDKEFLS LLRMMLGSFQ FTATSTGQLY EMFSSVMKHL DATA SEQUENCE PGPQQQAFKE LQGLEDFIAK KVEHNQRTLD PNSPRDFIDS FLIRMQEEEK DATA SEQUENCE NPNTEFYLKN LVMTTLNLFF AGTETVSTTL RYGFLLLMKH PEVEAKVHEE DATA SEQUENCE IDRVIGKNRQ PKFEDRAKMP YTEAVIHEIQ RFGDMLPMGL AHRVNKDTKF DATA SEQUENCE RDFFLPKGTE VFPMLGSVLR DPRFFSNPRD FNPQHFLDKK GQFKKSDAFV DATA SEQUENCE PFSIGKRYCF GEGLARMELF LFFTTIMQNF RFKSPQSPKD IDVSPKHVGF DATA SEQUENCE ATIPRNYTMS FLPR 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 31 G HA2 0.000 nan 3.960 nan 0.000 0.244 31 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 31 G C 0.000 174.937 174.900 0.062 0.000 0.946 31 G CA 0.000 45.029 45.100 -0.119 0.000 0.502 32 K N 0.194 120.723 120.400 0.215 0.000 2.318 32 K HA 0.702 5.020 4.320 -0.003 0.000 0.249 32 K C -0.799 176.009 176.600 0.346 0.000 0.942 32 K CA -0.874 55.562 56.287 0.247 0.000 0.808 32 K CB 2.221 34.847 32.500 0.210 0.000 1.189 32 K HN 0.457 nan 8.250 nan 0.000 0.428 33 L N 2.256 123.622 121.223 0.237 0.000 2.436 33 L HA 0.292 4.630 4.340 -0.003 0.000 0.265 33 L C -1.949 174.909 176.870 -0.019 0.000 1.168 33 L CA -1.853 53.064 54.840 0.129 0.000 0.815 33 L CB 0.499 42.592 42.059 0.057 0.000 1.109 33 L HN 0.454 nan 8.230 nan 0.000 0.462 34 P HA 0.006 nan 4.420 nan 0.000 0.267 34 P C -2.447 174.680 177.300 -0.289 0.000 1.201 34 P CA -0.567 62.006 63.100 -0.879 0.000 0.775 34 P CB -0.122 31.059 31.700 -0.865 0.000 0.854 35 P HA 0.405 nan 4.420 nan 0.000 0.279 35 P C -0.362 176.867 177.300 -0.117 0.000 1.276 35 P CA -0.036 63.075 63.100 0.019 0.000 0.801 35 P CB 1.140 32.970 31.700 0.217 0.000 1.127 36 G N -0.861 107.727 108.800 -0.353 0.000 2.356 36 G HA2 0.410 4.368 3.960 -0.003 0.000 0.294 36 G HA3 0.410 4.368 3.960 -0.003 0.000 0.294 36 G C -3.265 171.170 174.900 -0.775 0.000 1.423 36 G CA -0.876 43.657 45.100 -0.946 0.000 0.806 36 G HN 0.407 nan 8.290 nan 0.000 0.527 37 P HA 0.233 nan 4.420 nan 0.000 0.269 37 P C 0.154 177.429 177.300 -0.042 0.000 1.209 37 P CA 0.244 63.242 63.100 -0.169 0.000 0.776 37 P CB 0.453 32.091 31.700 -0.103 0.000 0.876 38 T N 5.314 119.878 114.554 0.017 0.000 2.817 38 T HA 0.202 4.550 4.350 -0.003 0.000 0.295 38 T C -1.530 173.162 174.700 -0.013 0.000 0.958 38 T CA -0.520 61.585 62.100 0.007 0.000 1.157 38 T CB -0.350 68.530 68.868 0.021 0.000 0.898 38 T HN 0.446 nan 8.240 nan 0.000 0.536 39 P HA 0.488 nan 4.420 nan 0.000 0.281 39 P C -0.755 176.504 177.300 -0.068 0.000 1.281 39 P CA -0.742 62.297 63.100 -0.102 0.000 0.811 39 P CB 1.205 32.687 31.700 -0.364 0.000 1.154 40 L N 0.087 121.299 121.223 -0.018 0.000 2.333 40 L HA 0.468 4.806 4.340 -0.003 0.000 0.269 40 L C -2.278 174.609 176.870 0.028 0.000 1.010 40 L CA -2.643 52.207 54.840 0.017 0.000 0.818 40 L CB 1.875 43.972 42.059 0.063 0.000 1.306 40 L HN 0.198 nan 8.230 nan 0.000 0.430 41 P HA -0.035 nan 4.420 nan 0.000 0.264 41 P C 0.212 177.641 177.300 0.216 0.000 1.183 41 P CA 0.371 63.526 63.100 0.092 0.000 0.763 41 P CB 0.223 31.972 31.700 0.080 0.000 0.807 42 F N 2.797 122.776 119.950 0.048 0.000 2.583 42 F HA -0.358 4.167 4.527 -0.003 0.000 0.659 42 F C 1.240 177.179 175.800 0.232 0.000 0.489 42 F CA 2.403 60.470 58.000 0.112 0.000 0.707 42 F CB -1.592 37.456 39.000 0.080 0.000 1.607 42 F HN 0.371 nan 8.300 nan 0.000 0.260 43 I N -0.591 120.101 120.570 0.202 0.000 3.444 43 I HA 0.406 4.574 4.170 -0.003 0.000 0.287 43 I C 1.705 177.906 176.117 0.141 0.000 1.302 43 I CA 0.734 62.186 61.300 0.252 0.000 1.368 43 I CB -1.076 37.065 38.000 0.236 0.000 1.048 43 I HN 0.807 nan 8.210 nan 0.000 0.487 44 G N 3.015 111.844 108.800 0.049 0.000 2.622 44 G HA2 -0.414 3.545 3.960 -0.003 0.000 0.307 44 G HA3 -0.414 3.545 3.960 -0.003 0.000 0.307 44 G C 0.195 175.147 174.900 0.088 0.000 1.226 44 G CA 0.881 46.005 45.100 0.040 0.000 0.997 44 G HN 0.603 nan 8.290 nan 0.000 0.551 45 N N 0.115 118.883 118.700 0.113 0.000 2.320 45 N HA 0.364 5.102 4.740 -0.003 0.000 0.237 45 N C 1.097 176.676 175.510 0.115 0.000 1.129 45 N CA 0.311 53.421 53.050 0.100 0.000 0.854 45 N CB 0.132 38.663 38.487 0.073 0.000 1.083 45 N HN 0.529 nan 8.380 nan 0.000 0.504 46 Y N 1.282 121.612 120.300 0.049 0.000 2.132 46 Y HA -0.284 4.264 4.550 -0.003 0.000 0.280 46 Y C 1.469 177.409 175.900 0.067 0.000 1.193 46 Y CA 1.690 59.837 58.100 0.080 0.000 1.157 46 Y CB -0.118 38.445 38.460 0.173 0.000 0.966 46 Y HN 0.197 nan 8.280 nan 0.000 0.511 47 L N -0.331 120.950 121.223 0.097 0.000 2.265 47 L HA -0.216 4.122 4.340 -0.003 0.000 0.215 47 L C 1.424 178.256 176.870 -0.063 0.000 1.117 47 L CA 1.306 56.144 54.840 -0.003 0.000 0.782 47 L CB -0.330 41.782 42.059 0.088 0.000 0.914 47 L HN 0.327 nan 8.230 nan 0.000 0.441 48 Q N -0.881 118.891 119.800 -0.046 0.000 2.219 48 Q HA 0.323 4.661 4.340 -0.003 0.000 0.209 48 Q C -0.524 175.436 176.000 -0.067 0.000 0.854 48 Q CA 0.206 55.981 55.803 -0.047 0.000 0.960 48 Q CB 0.708 29.430 28.738 -0.026 0.000 1.116 48 Q HN 0.335 nan 8.270 nan 0.000 0.500 49 L N 0.481 121.641 121.223 -0.105 0.000 2.342 49 L HA 0.513 4.851 4.340 -0.003 0.000 0.271 49 L C -0.545 176.245 176.870 -0.133 0.000 1.008 49 L CA -1.092 53.695 54.840 -0.088 0.000 0.818 49 L CB 1.617 43.647 42.059 -0.048 0.000 1.296 49 L HN -0.079 nan 8.230 nan 0.000 0.427 50 N N -0.009 118.648 118.700 -0.072 0.000 2.564 50 N HA 0.138 4.876 4.740 -0.003 0.000 0.248 50 N C 0.514 176.009 175.510 -0.025 0.000 0.986 50 N CA -0.174 52.838 53.050 -0.064 0.000 0.921 50 N CB 1.554 40.020 38.487 -0.035 0.000 1.136 50 N HN 0.541 nan 8.380 nan 0.000 0.509 51 T N 1.586 116.125 114.554 -0.024 0.000 2.918 51 T HA -0.174 4.174 4.350 -0.003 0.000 0.271 51 T C 1.115 175.819 174.700 0.007 0.000 1.104 51 T CA 1.589 63.694 62.100 0.009 0.000 1.114 51 T CB -0.024 68.873 68.868 0.049 0.000 0.855 51 T HN 0.698 nan 8.240 nan 0.000 0.518 52 E N -0.687 119.520 120.200 0.012 0.000 2.385 52 E HA 0.047 4.395 4.350 -0.003 0.000 0.194 52 E C 0.693 177.313 176.600 0.033 0.000 1.013 52 E CA 0.363 56.777 56.400 0.024 0.000 0.866 52 E CB 0.378 30.096 29.700 0.031 0.000 0.832 52 E HN 0.146 nan 8.360 nan 0.000 0.500 53 Q N 0.357 120.176 119.800 0.033 0.000 3.761 53 Q HA 0.135 4.473 4.340 -0.003 0.000 0.206 53 Q C 0.101 176.142 176.000 0.067 0.000 0.900 53 Q CA -0.173 55.663 55.803 0.056 0.000 0.737 53 Q CB 0.786 29.558 28.738 0.058 0.000 1.454 53 Q HN 0.292 nan 8.270 nan 0.000 0.448 54 M N -0.047 119.595 119.600 0.071 0.000 2.117 54 M HA -0.151 4.327 4.480 -0.003 0.000 0.262 54 M C 1.607 177.962 176.300 0.091 0.000 1.065 54 M CA 1.395 56.740 55.300 0.074 0.000 1.114 54 M CB -0.861 31.788 32.600 0.081 0.000 1.361 54 M HN 0.541 nan 8.290 nan 0.000 0.408 55 Y N 2.217 122.529 120.300 0.020 0.000 2.081 55 Y HA -0.303 4.245 4.550 -0.003 0.000 0.280 55 Y C 2.133 178.056 175.900 0.038 0.000 1.163 55 Y CA 2.028 60.142 58.100 0.023 0.000 1.135 55 Y CB -0.353 38.100 38.460 -0.011 0.000 0.970 55 Y HN 0.332 nan 8.280 nan 0.000 0.498 56 N N -0.495 118.292 118.700 0.145 0.000 2.188 56 N HA -0.146 4.592 4.740 -0.003 0.000 0.184 56 N C 1.979 177.480 175.510 -0.014 0.000 1.018 56 N CA 1.459 54.550 53.050 0.069 0.000 0.858 56 N CB -0.564 37.986 38.487 0.105 0.000 0.989 56 N HN 0.299 nan 8.380 nan 0.000 0.426 57 S N 1.190 116.888 115.700 -0.002 0.000 2.368 57 S HA 0.023 4.492 4.470 -0.003 0.000 0.225 57 S C 2.105 176.686 174.600 -0.032 0.000 1.030 57 S CA 0.664 58.854 58.200 -0.017 0.000 0.999 57 S CB -0.180 63.016 63.200 -0.007 0.000 0.844 57 S HN 0.246 nan 8.310 nan 0.000 0.459 58 L N 0.574 121.785 121.223 -0.021 0.000 2.072 58 L HA -0.060 4.278 4.340 -0.003 0.000 0.205 58 L C 2.521 179.398 176.870 0.013 0.000 1.079 58 L CA 0.765 55.643 54.840 0.064 0.000 0.752 58 L CB -0.448 41.676 42.059 0.109 0.000 0.906 58 L HN 0.312 nan 8.230 nan 0.000 0.436 59 M N -0.104 119.414 119.600 -0.137 0.000 2.132 59 M HA -0.212 4.266 4.480 -0.003 0.000 0.263 59 M C 2.258 178.529 176.300 -0.048 0.000 1.065 59 M CA 1.620 56.855 55.300 -0.109 0.000 1.122 59 M CB -1.004 31.480 32.600 -0.192 0.000 1.365 59 M HN 0.167 nan 8.290 nan 0.000 0.411 60 K N 0.737 121.105 120.400 -0.052 0.000 2.032 60 K HA -0.125 4.193 4.320 -0.003 0.000 0.209 60 K C 1.905 178.464 176.600 -0.069 0.000 1.048 60 K CA 1.308 57.571 56.287 -0.040 0.000 0.927 60 K CB -0.157 32.326 32.500 -0.029 0.000 0.712 60 K HN 0.236 nan 8.250 nan 0.000 0.441 61 I N 0.704 121.197 120.570 -0.128 0.000 2.264 61 I HA -0.277 3.892 4.170 -0.003 0.000 0.248 61 I C 2.513 178.472 176.117 -0.263 0.000 1.111 61 I CA 1.115 62.282 61.300 -0.221 0.000 1.382 61 I CB -0.314 37.411 38.000 -0.458 0.000 1.060 61 I HN 0.291 nan 8.210 nan 0.000 0.418 62 S N 0.906 116.466 115.700 -0.233 0.000 2.382 62 S HA -0.244 4.224 4.470 -0.003 0.000 0.228 62 S C 1.883 176.503 174.600 0.033 0.000 1.027 62 S CA 1.831 60.017 58.200 -0.023 0.000 0.991 62 S CB -0.315 62.999 63.200 0.190 0.000 0.823 62 S HN 0.667 nan 8.310 nan 0.000 0.469 63 E N -0.004 120.195 120.200 -0.001 0.000 2.409 63 E HA -0.115 4.233 4.350 -0.003 0.000 0.198 63 E C 1.875 178.450 176.600 -0.041 0.000 1.024 63 E CA 0.762 57.162 56.400 -0.001 0.000 0.861 63 E CB -0.123 29.574 29.700 -0.006 0.000 0.788 63 E HN 0.490 nan 8.360 nan 0.000 0.521 64 R N -1.013 119.441 120.500 -0.077 0.000 2.195 64 R HA 0.132 4.470 4.340 -0.003 0.000 0.197 64 R C 0.796 176.862 176.300 -0.390 0.000 0.990 64 R CA 0.760 56.721 56.100 -0.232 0.000 1.048 64 R CB 0.171 30.303 30.300 -0.281 0.000 0.997 64 R HN 0.224 nan 8.270 nan 0.000 0.502 65 Y N -0.440 119.809 120.300 -0.084 0.000 2.453 65 Y HA 0.386 4.934 4.550 -0.003 0.000 0.247 65 Y C 0.957 176.905 175.900 0.080 0.000 1.124 65 Y CA 0.231 58.322 58.100 -0.016 0.000 1.243 65 Y CB 1.566 39.987 38.460 -0.065 0.000 1.213 65 Y HN 0.188 nan 8.280 nan 0.000 0.523 66 G N 1.072 109.995 108.800 0.205 0.000 2.498 66 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.651 66 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.651 66 G C -2.208 172.862 174.900 0.284 0.000 1.284 66 G CA -0.448 44.779 45.100 0.211 0.000 0.950 66 G HN -0.075 nan 8.290 nan 0.000 0.511 67 P HA 0.139 nan 4.420 nan 0.000 0.229 67 P C 0.454 177.856 177.300 0.170 0.000 1.160 67 P CA 1.069 64.290 63.100 0.202 0.000 0.777 67 P CB 0.299 32.093 31.700 0.156 0.000 0.814 68 V N 2.074 122.109 119.914 0.201 0.000 2.340 68 V HA 0.338 4.456 4.120 -0.003 0.000 0.277 68 V C -0.331 175.758 176.094 -0.008 0.000 1.017 68 V CA -0.640 61.707 62.300 0.078 0.000 0.820 68 V CB 0.425 32.408 31.823 0.265 0.000 1.028 68 V HN 0.008 nan 8.190 nan 0.000 0.436 69 F N 1.250 121.129 119.950 -0.118 0.000 2.640 69 F HA 0.879 5.404 4.527 -0.003 0.000 0.324 69 F C -0.195 175.449 175.800 -0.259 0.000 1.077 69 F CA -0.981 56.896 58.000 -0.206 0.000 0.965 69 F CB 1.581 40.493 39.000 -0.147 0.000 1.351 69 F HN 0.095 nan 8.300 nan 0.000 0.487 70 T N 2.996 117.531 114.554 -0.031 0.000 2.795 70 T HA 0.629 4.977 4.350 -0.003 0.000 0.282 70 T C -1.120 173.527 174.700 -0.088 0.000 0.980 70 T CA -0.135 61.854 62.100 -0.185 0.000 1.012 70 T CB 1.140 69.875 68.868 -0.222 0.000 0.936 70 T HN 0.628 nan 8.240 nan 0.000 0.457 71 I N 2.223 122.647 120.570 -0.243 0.000 2.785 71 I HA 0.433 4.601 4.170 -0.003 0.000 0.302 71 I C -1.231 174.637 176.117 -0.416 0.000 1.069 71 I CA -0.888 60.315 61.300 -0.162 0.000 1.045 71 I CB 1.919 39.937 38.000 0.030 0.000 1.236 71 I HN 0.649 nan 8.210 nan 0.000 0.429 72 H N 6.446 125.460 119.070 -0.093 0.000 2.638 72 H HA 0.483 5.038 4.556 -0.003 0.000 0.303 72 H C -0.916 174.333 175.328 -0.131 0.000 1.034 72 H CA -0.450 55.529 56.048 -0.115 0.000 1.225 72 H CB 0.982 30.695 29.762 -0.081 0.000 1.394 72 H HN 0.312 nan 8.280 nan 0.000 0.477 73 L N 4.239 125.395 121.223 -0.112 0.000 2.328 73 L HA 0.269 4.608 4.340 -0.003 0.000 0.280 73 L C 1.194 177.889 176.870 -0.291 0.000 1.111 73 L CA -0.043 54.696 54.840 -0.168 0.000 0.909 73 L CB -0.225 41.748 42.059 -0.144 0.000 1.277 73 L HN 1.042 nan 8.230 nan 0.000 0.433 74 G N 4.948 113.518 108.800 -0.384 0.000 2.574 74 G HA2 -0.287 3.671 3.960 -0.003 0.000 0.286 74 G HA3 -0.287 3.671 3.960 -0.003 0.000 0.286 74 G C -1.627 173.083 174.900 -0.316 0.000 1.212 74 G CA 0.105 44.844 45.100 -0.602 0.000 0.979 74 G HN 0.547 nan 8.290 nan 0.000 0.557 75 P HA 0.088 nan 4.420 nan 0.000 0.245 75 P C 0.510 177.776 177.300 -0.057 0.000 1.212 75 P CA 0.461 63.490 63.100 -0.118 0.000 0.774 75 P CB 0.093 31.761 31.700 -0.053 0.000 0.999 76 R N 1.203 121.638 120.500 -0.109 0.000 2.248 76 R HA 0.268 4.606 4.340 -0.003 0.000 0.328 76 R C 0.626 176.848 176.300 -0.130 0.000 1.067 76 R CA -0.401 55.636 56.100 -0.104 0.000 0.924 76 R CB 0.611 30.832 30.300 -0.132 0.000 1.013 76 R HN 0.033 nan 8.270 nan 0.000 0.454 77 R N 2.900 123.325 120.500 -0.126 0.000 2.234 77 R HA 0.269 4.607 4.340 -0.003 0.000 0.324 77 R C -1.069 175.025 176.300 -0.343 0.000 1.054 77 R CA -0.300 55.637 56.100 -0.272 0.000 0.912 77 R CB 0.774 30.981 30.300 -0.155 0.000 1.030 77 R HN 0.321 nan 8.270 nan 0.000 0.455 78 V N 5.221 124.849 119.914 -0.476 0.000 2.656 78 V HA 0.309 4.427 4.120 -0.003 0.000 0.307 78 V C -0.531 175.262 176.094 -0.502 0.000 1.051 78 V CA -0.948 61.032 62.300 -0.532 0.000 0.893 78 V CB 2.071 33.387 31.823 -0.845 0.000 0.999 78 V HN 0.517 nan 8.190 nan 0.000 0.426 79 V N 5.295 124.957 119.914 -0.421 0.000 2.348 79 V HA 0.308 4.426 4.120 -0.003 0.000 0.270 79 V C 0.002 175.839 176.094 -0.430 0.000 1.037 79 V CA -0.337 61.731 62.300 -0.386 0.000 0.872 79 V CB 1.620 33.296 31.823 -0.245 0.000 1.002 79 V HN 0.640 nan 8.190 nan 0.000 0.464 80 V N 7.397 126.918 119.914 -0.655 0.000 2.432 80 V HA 0.396 4.514 4.120 -0.003 0.000 0.275 80 V C 0.015 175.804 176.094 -0.508 0.000 1.043 80 V CA -0.412 61.498 62.300 -0.650 0.000 0.925 80 V CB 1.365 32.495 31.823 -1.154 0.000 0.985 80 V HN 0.602 nan 8.190 nan 0.000 0.466 81 L N 5.039 126.111 121.223 -0.253 0.000 2.298 81 L HA 0.540 4.878 4.340 -0.003 0.000 0.284 81 L C -0.494 176.326 176.870 -0.083 0.000 1.013 81 L CA -0.154 54.596 54.840 -0.151 0.000 0.824 81 L CB 1.362 43.317 42.059 -0.172 0.000 1.221 81 L HN 0.625 nan 8.230 nan 0.000 0.418 82 C N 2.079 121.367 119.300 -0.020 0.000 2.454 82 C HA 0.915 5.373 4.460 -0.003 0.000 0.336 82 C C 0.808 175.833 174.990 0.059 0.000 1.189 82 C CA -0.597 58.440 59.018 0.033 0.000 1.877 82 C CB 1.040 28.830 27.740 0.084 0.000 2.348 82 C HN 1.059 nan 8.230 nan 0.000 0.508 83 G N 1.150 109.996 108.800 0.076 0.000 2.757 83 G HA2 -0.167 3.792 3.960 -0.003 0.000 0.686 83 G HA3 -0.167 3.792 3.960 -0.003 0.000 0.686 83 G C 0.473 175.409 174.900 0.059 0.000 1.452 83 G CA 0.361 45.522 45.100 0.102 0.000 0.922 83 G HN 1.130 nan 8.290 nan 0.000 0.588 84 H N 0.940 119.996 119.070 -0.023 0.000 2.319 84 H HA -0.131 4.424 4.556 -0.003 0.000 0.297 84 H C 2.099 177.407 175.328 -0.033 0.000 1.097 84 H CA 2.614 58.591 56.048 -0.119 0.000 1.285 84 H CB 0.050 29.578 29.762 -0.391 0.000 1.368 84 H HN 0.640 nan 8.280 nan 0.000 0.495 85 D N 0.637 121.117 120.400 0.133 0.000 2.084 85 D HA -0.113 4.525 4.640 -0.003 0.000 0.194 85 D C 2.363 178.668 176.300 0.009 0.000 0.990 85 D CA 1.508 55.571 54.000 0.105 0.000 0.826 85 D CB -0.661 40.255 40.800 0.192 0.000 0.971 85 D HN 0.509 nan 8.370 nan 0.000 0.453 86 A N 0.884 123.736 122.820 0.053 0.000 1.877 86 A HA -0.143 4.175 4.320 -0.003 0.000 0.216 86 A C 2.614 180.200 177.584 0.004 0.000 1.186 86 A CA 1.418 53.527 52.037 0.120 0.000 0.620 86 A CB -0.867 18.220 19.000 0.145 0.000 0.822 86 A HN 0.141 nan 8.150 nan 0.000 0.443 87 V N 0.281 120.126 119.914 -0.114 0.000 2.287 87 V HA -0.296 3.822 4.120 -0.003 0.000 0.248 87 V C 2.573 178.504 176.094 -0.271 0.000 1.053 87 V CA 2.496 64.665 62.300 -0.219 0.000 1.027 87 V CB -0.638 31.063 31.823 -0.203 0.000 0.646 87 V HN 0.695 nan 8.190 nan 0.000 0.447 88 K N -0.175 120.042 120.400 -0.306 0.000 2.097 88 K HA -0.180 4.139 4.320 -0.003 0.000 0.205 88 K C 2.086 178.597 176.600 -0.148 0.000 1.050 88 K CA 1.508 57.629 56.287 -0.277 0.000 0.938 88 K CB -0.075 32.171 32.500 -0.424 0.000 0.718 88 K HN 0.559 nan 8.250 nan 0.000 0.442 89 E N -0.209 119.949 120.200 -0.070 0.000 2.204 89 E HA -0.157 4.191 4.350 -0.003 0.000 0.194 89 E C 1.730 178.352 176.600 0.036 0.000 0.989 89 E CA 0.928 57.357 56.400 0.049 0.000 0.824 89 E CB 0.059 29.843 29.700 0.140 0.000 0.756 89 E HN 0.402 nan 8.360 nan 0.000 0.477 90 A N 0.614 123.278 122.820 -0.261 0.000 1.844 90 A HA -0.060 4.258 4.320 -0.003 0.000 0.212 90 A C 1.964 179.130 177.584 -0.696 0.000 1.221 90 A CA 0.576 52.015 52.037 -0.996 0.000 0.607 90 A CB -0.383 17.536 19.000 -1.801 0.000 0.878 90 A HN 0.078 nan 8.150 nan 0.000 0.451 91 L N -0.394 120.528 121.223 -0.501 0.000 2.141 91 L HA -0.070 4.268 4.340 -0.003 0.000 0.209 91 L C 2.244 179.049 176.870 -0.109 0.000 1.094 91 L CA 1.271 55.944 54.840 -0.279 0.000 0.763 91 L CB -0.459 41.430 42.059 -0.284 0.000 0.908 91 L HN 0.231 nan 8.230 nan 0.000 0.437 92 V N -1.494 118.362 119.914 -0.097 0.000 2.602 92 V HA -0.027 4.091 4.120 -0.003 0.000 0.235 92 V C 1.775 177.875 176.094 0.010 0.000 1.087 92 V CA 0.810 63.093 62.300 -0.027 0.000 1.117 92 V CB -0.298 31.507 31.823 -0.031 0.000 0.820 92 V HN 0.234 nan 8.190 nan 0.000 0.490 93 D N 0.130 120.537 120.400 0.012 0.000 2.263 93 D HA -0.135 4.504 4.640 -0.003 0.000 0.208 93 D C 1.614 177.969 176.300 0.091 0.000 0.971 93 D CA 1.116 55.147 54.000 0.051 0.000 0.867 93 D CB 0.056 40.889 40.800 0.055 0.000 0.929 93 D HN 0.478 nan 8.370 nan 0.000 0.492 94 Q N -0.802 119.064 119.800 0.110 0.000 2.110 94 Q HA 0.370 4.708 4.340 -0.003 0.000 0.232 94 Q C 1.399 177.541 176.000 0.236 0.000 0.810 94 Q CA -0.216 55.714 55.803 0.213 0.000 1.083 94 Q CB 1.160 30.126 28.738 0.380 0.000 1.193 94 Q HN 0.066 nan 8.270 nan 0.000 0.471 95 A N 1.194 124.094 122.820 0.133 0.000 1.957 95 A HA -0.358 3.960 4.320 -0.003 0.000 0.224 95 A C 1.933 179.610 177.584 0.156 0.000 1.287 95 A CA 2.435 54.547 52.037 0.125 0.000 0.682 95 A CB -0.290 18.764 19.000 0.090 0.000 0.833 95 A HN 0.421 nan 8.150 nan 0.000 0.482 96 E N -0.183 120.095 120.200 0.131 0.000 2.072 96 E HA -0.141 4.207 4.350 -0.003 0.000 0.191 96 E C 1.799 178.446 176.600 0.080 0.000 0.985 96 E CA 1.762 58.221 56.400 0.099 0.000 0.801 96 E CB -0.354 29.390 29.700 0.073 0.000 0.750 96 E HN 0.704 nan 8.360 nan 0.000 0.452 97 E N -0.965 119.283 120.200 0.080 0.000 2.204 97 E HA -0.094 4.254 4.350 -0.003 0.000 0.194 97 E C 0.682 177.164 176.600 -0.196 0.000 0.989 97 E CA 0.896 57.252 56.400 -0.074 0.000 0.824 97 E CB -0.135 29.486 29.700 -0.132 0.000 0.756 97 E HN 0.291 nan 8.360 nan 0.000 0.477 98 F N -0.117 119.819 119.950 -0.024 0.000 2.750 98 F HA 0.153 4.678 4.527 -0.003 0.000 0.297 98 F C 1.246 177.097 175.800 0.086 0.000 1.138 98 F CA -0.214 57.767 58.000 -0.032 0.000 1.346 98 F CB 0.472 39.387 39.000 -0.142 0.000 0.965 98 F HN -0.068 nan 8.300 nan 0.000 0.514 99 S N -1.410 114.417 115.700 0.213 0.000 2.605 99 S HA 0.277 4.745 4.470 -0.003 0.000 0.217 99 S C 1.060 175.743 174.600 0.138 0.000 0.958 99 S CA -0.149 58.177 58.200 0.211 0.000 0.919 99 S CB -0.323 62.957 63.200 0.134 0.000 0.780 99 S HN 0.181 nan 8.310 nan 0.000 0.507 100 G N 1.154 110.018 108.800 0.107 0.000 2.537 100 G HA2 0.533 4.491 3.960 -0.003 0.000 0.273 100 G HA3 0.533 4.491 3.960 -0.003 0.000 0.273 100 G C -0.611 174.284 174.900 -0.010 0.000 1.189 100 G CA -0.987 44.130 45.100 0.029 0.000 0.881 100 G HN 0.376 nan 8.290 nan 0.000 0.535 101 R N 0.155 120.626 120.500 -0.049 0.000 2.265 101 R HA 0.552 4.890 4.340 -0.003 0.000 0.319 101 R C 0.711 177.009 176.300 -0.003 0.000 1.006 101 R CA 0.120 56.170 56.100 -0.084 0.000 0.880 101 R CB 0.662 30.918 30.300 -0.074 0.000 1.077 101 R HN 0.626 nan 8.270 nan 0.000 0.454 102 G N 2.490 111.309 108.800 0.032 0.000 2.509 102 G HA2 0.276 4.234 3.960 -0.003 0.000 0.269 102 G HA3 0.276 4.234 3.960 -0.003 0.000 0.269 102 G C -0.896 174.074 174.900 0.118 0.000 1.416 102 G CA -0.593 44.564 45.100 0.094 0.000 1.052 102 G HN 0.737 nan 8.290 nan 0.000 0.542 103 E N -1.425 118.860 120.200 0.140 0.000 2.227 103 E HA 0.533 4.881 4.350 -0.003 0.000 0.268 103 E C -1.045 175.635 176.600 0.135 0.000 0.990 103 E CA -0.856 55.621 56.400 0.128 0.000 0.856 103 E CB 1.726 31.476 29.700 0.083 0.000 1.159 103 E HN 0.171 nan 8.360 nan 0.000 0.401 104 Q N 1.071 120.924 119.800 0.089 0.000 3.021 104 Q HA 0.246 4.584 4.340 -0.003 0.000 0.234 104 Q C -0.014 176.012 176.000 0.043 0.000 0.930 104 Q CA -0.163 55.648 55.803 0.014 0.000 0.714 104 Q CB 1.317 30.034 28.738 -0.034 0.000 1.325 104 Q HN 0.810 nan 8.270 nan 0.000 0.473 105 A N 2.302 125.175 122.820 0.089 0.000 1.940 105 A HA -0.245 4.073 4.320 -0.003 0.000 0.221 105 A C 1.737 179.569 177.584 0.414 0.000 1.190 105 A CA 2.722 54.873 52.037 0.190 0.000 0.647 105 A CB -0.397 18.624 19.000 0.035 0.000 0.821 105 A HN 0.682 nan 8.150 nan 0.000 0.457 106 T N -0.705 114.051 114.554 0.336 0.000 2.622 106 T HA -0.136 4.213 4.350 -0.003 0.000 0.266 106 T C 1.561 176.300 174.700 0.065 0.000 1.047 106 T CA 1.794 64.005 62.100 0.185 0.000 1.159 106 T CB -0.493 68.284 68.868 -0.152 0.000 0.863 106 T HN 0.473 nan 8.240 nan 0.000 0.422 107 F N 1.662 121.615 119.950 0.005 0.000 2.234 107 F HA -0.053 4.472 4.527 -0.003 0.000 0.299 107 F C 2.439 178.230 175.800 -0.016 0.000 1.087 107 F CA 0.648 58.590 58.000 -0.096 0.000 1.340 107 F CB -0.391 38.166 39.000 -0.739 0.000 1.031 107 F HN 0.095 nan 8.300 nan 0.000 0.500 108 D N -0.597 119.853 120.400 0.084 0.000 2.182 108 D HA -0.240 4.398 4.640 -0.003 0.000 0.201 108 D C 1.812 178.195 176.300 0.138 0.000 0.986 108 D CA 0.953 55.011 54.000 0.096 0.000 0.847 108 D CB -0.615 40.231 40.800 0.078 0.000 0.942 108 D HN 0.425 nan 8.370 nan 0.000 0.467 109 W N 1.174 122.483 121.300 0.015 0.000 2.305 109 W HA -0.231 4.427 4.660 -0.003 0.000 0.308 109 W C 2.080 178.518 176.519 -0.135 0.000 1.226 109 W CA 1.306 58.574 57.345 -0.129 0.000 1.253 109 W CB -0.311 28.943 29.460 -0.344 0.000 1.146 109 W HN 0.016 nan 8.180 nan 0.000 0.507 110 L N -1.350 119.916 121.223 0.072 0.000 2.189 110 L HA 0.115 4.453 4.340 -0.003 0.000 0.199 110 L C 2.246 178.967 176.870 -0.249 0.000 1.074 110 L CA 1.609 56.350 54.840 -0.165 0.000 0.783 110 L CB -1.124 40.893 42.059 -0.070 0.000 0.955 110 L HN -0.084 nan 8.230 nan 0.000 0.460 111 F N 0.737 120.717 119.950 0.050 0.000 2.186 111 F HA -0.092 4.433 4.527 -0.003 0.000 0.299 111 F C 1.231 177.127 175.800 0.160 0.000 1.090 111 F CA 1.046 59.115 58.000 0.114 0.000 1.307 111 F CB -0.412 38.653 39.000 0.108 0.000 1.019 111 F HN -0.011 nan 8.300 nan 0.000 0.489 112 K N 0.085 120.612 120.400 0.212 0.000 3.035 112 K HA -0.242 4.076 4.320 -0.003 0.000 0.262 112 K C 0.958 177.638 176.600 0.134 0.000 1.024 112 K CA 0.309 56.690 56.287 0.157 0.000 0.748 112 K CB -2.300 30.285 32.500 0.141 0.000 1.247 112 K HN 0.652 nan 8.250 nan 0.000 0.482 113 G N -1.260 107.612 108.800 0.120 0.000 2.143 113 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.249 113 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.249 113 G C -0.137 174.661 174.900 -0.170 0.000 0.981 113 G CA 0.611 45.690 45.100 -0.035 0.000 0.665 113 G HN 0.405 nan 8.290 nan 0.000 0.528 114 Y N 0.096 120.527 120.300 0.218 0.000 2.488 114 Y HA 0.565 5.113 4.550 -0.003 0.000 0.325 114 Y C 1.104 177.166 175.900 0.270 0.000 1.204 114 Y CA 0.352 58.573 58.100 0.202 0.000 1.229 114 Y CB 1.811 40.379 38.460 0.181 0.000 1.274 114 Y HN 1.166 nan 8.280 nan 0.000 0.493 115 G N -0.060 108.942 108.800 0.336 0.000 2.746 115 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.685 115 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.685 115 G C 0.218 175.201 174.900 0.137 0.000 1.350 115 G CA -0.375 44.886 45.100 0.268 0.000 0.837 115 G HN 0.871 nan 8.290 nan 0.000 0.564 116 V N 0.885 120.867 119.914 0.113 0.000 2.270 116 V HA 0.155 4.273 4.120 -0.003 0.000 0.245 116 V C 3.145 179.201 176.094 -0.065 0.000 1.043 116 V CA 3.332 65.675 62.300 0.071 0.000 1.014 116 V CB -0.894 31.046 31.823 0.194 0.000 0.645 116 V HN 2.171 nan 8.190 nan 0.000 0.447 117 A N -0.823 121.849 122.820 -0.246 0.000 1.930 117 A HA -0.032 4.286 4.320 -0.003 0.000 0.217 117 A C 1.491 178.621 177.584 -0.756 0.000 1.175 117 A CA 1.783 53.446 52.037 -0.624 0.000 0.627 117 A CB -0.572 17.788 19.000 -1.067 0.000 0.815 117 A HN 0.656 nan 8.150 nan 0.000 0.443 118 F N 0.380 120.193 119.950 -0.228 0.000 2.908 118 F HA 0.280 4.805 4.527 -0.003 0.000 0.328 118 F C 0.924 176.675 175.800 -0.082 0.000 1.211 118 F CA 0.043 57.945 58.000 -0.164 0.000 1.291 118 F CB 0.299 39.188 39.000 -0.185 0.000 0.962 118 F HN 0.165 nan 8.300 nan 0.000 0.505 119 S N -0.885 114.827 115.700 0.020 0.000 2.726 119 S HA 0.621 5.089 4.470 -0.003 0.000 0.308 119 S C -0.631 173.950 174.600 -0.032 0.000 1.115 119 S CA -0.763 57.432 58.200 -0.009 0.000 0.965 119 S CB 2.373 65.558 63.200 -0.024 0.000 1.145 119 S HN 0.129 nan 8.310 nan 0.000 0.532 120 N N -0.996 117.681 118.700 -0.039 0.000 2.405 120 N HA 0.586 5.325 4.740 -0.003 0.000 0.285 120 N C 0.591 176.084 175.510 -0.028 0.000 1.262 120 N CA 0.338 53.369 53.050 -0.032 0.000 0.773 120 N CB 1.720 40.190 38.487 -0.028 0.000 1.490 120 N HN 1.126 nan 8.380 nan 0.000 0.486 121 G N 1.504 110.293 108.800 -0.017 0.000 2.627 121 G HA2 -0.399 3.559 3.960 -0.003 0.000 0.312 121 G HA3 -0.399 3.559 3.960 -0.003 0.000 0.312 121 G C 0.967 175.862 174.900 -0.009 0.000 1.299 121 G CA 1.216 46.310 45.100 -0.010 0.000 0.989 121 G HN 0.643 nan 8.290 nan 0.000 0.547 122 E N 0.110 120.306 120.200 -0.007 0.000 2.130 122 E HA -0.158 4.190 4.350 -0.003 0.000 0.196 122 E C 2.536 179.119 176.600 -0.028 0.000 0.998 122 E CA 2.237 58.633 56.400 -0.007 0.000 0.806 122 E CB -0.279 29.423 29.700 0.003 0.000 0.738 122 E HN 0.563 nan 8.360 nan 0.000 0.459 123 R N -0.436 120.041 120.500 -0.039 0.000 2.070 123 R HA -0.104 4.234 4.340 -0.003 0.000 0.233 123 R C 2.231 178.494 176.300 -0.062 0.000 1.137 123 R CA 1.567 57.625 56.100 -0.070 0.000 0.945 123 R CB -0.472 29.787 30.300 -0.068 0.000 0.845 123 R HN 0.222 nan 8.270 nan 0.000 0.430 124 A N 1.261 124.060 122.820 -0.036 0.000 1.902 124 A HA -0.217 4.101 4.320 -0.003 0.000 0.217 124 A C 2.113 179.693 177.584 -0.006 0.000 1.181 124 A CA 1.760 53.786 52.037 -0.018 0.000 0.623 124 A CB -0.535 18.452 19.000 -0.021 0.000 0.818 124 A HN 0.451 nan 8.150 nan 0.000 0.443 125 K N -0.936 119.461 120.400 -0.005 0.000 2.026 125 K HA -0.187 4.131 4.320 -0.003 0.000 0.208 125 K C 2.212 178.822 176.600 0.018 0.000 1.048 125 K CA 1.506 57.798 56.287 0.009 0.000 0.929 125 K CB -0.187 32.322 32.500 0.016 0.000 0.713 125 K HN 0.405 nan 8.250 nan 0.000 0.439 126 Q N 0.606 120.406 119.800 -0.001 0.000 2.084 126 Q HA -0.125 4.213 4.340 -0.003 0.000 0.202 126 Q C 2.264 178.303 176.000 0.065 0.000 0.978 126 Q CA 1.299 57.116 55.803 0.024 0.000 0.844 126 Q CB -0.136 28.544 28.738 -0.096 0.000 0.898 126 Q HN 0.417 nan 8.270 nan 0.000 0.426 127 L N -0.072 121.141 121.223 -0.016 0.000 2.109 127 L HA -0.072 4.266 4.340 -0.003 0.000 0.207 127 L C 2.689 179.665 176.870 0.176 0.000 1.086 127 L CA 0.767 55.680 54.840 0.121 0.000 0.760 127 L CB -0.395 41.716 42.059 0.086 0.000 0.910 127 L HN 0.160 nan 8.230 nan 0.000 0.437 128 R N 0.704 121.227 120.500 0.038 0.000 2.073 128 R HA -0.200 4.138 4.340 -0.003 0.000 0.234 128 R C 2.468 178.639 176.300 -0.215 0.000 1.134 128 R CA 1.558 57.566 56.100 -0.153 0.000 0.952 128 R CB -0.096 30.144 30.300 -0.100 0.000 0.850 128 R HN 0.162 nan 8.270 nan 0.000 0.433 129 R N -0.438 120.037 120.500 -0.042 0.000 2.070 129 R HA -0.179 4.159 4.340 -0.003 0.000 0.233 129 R C 2.151 178.461 176.300 0.017 0.000 1.137 129 R CA 1.981 58.067 56.100 -0.024 0.000 0.945 129 R CB -0.578 29.749 30.300 0.045 0.000 0.845 129 R HN 0.285 nan 8.270 nan 0.000 0.430 130 F N 1.075 121.054 119.950 0.049 0.000 2.091 130 F HA -0.252 4.273 4.527 -0.003 0.000 0.299 130 F C 2.170 178.034 175.800 0.107 0.000 1.103 130 F CA 2.132 60.180 58.000 0.079 0.000 1.228 130 F CB -0.337 38.801 39.000 0.231 0.000 0.984 130 F HN 0.021 nan 8.300 nan 0.000 0.477 131 S N 1.130 116.966 115.700 0.228 0.000 2.356 131 S HA -0.189 4.279 4.470 -0.003 0.000 0.223 131 S C 2.076 176.651 174.600 -0.042 0.000 1.032 131 S CA 1.730 60.083 58.200 0.254 0.000 1.005 131 S CB -0.592 62.714 63.200 0.177 0.000 0.867 131 S HN 0.430 nan 8.310 nan 0.000 0.449 132 I N 1.951 122.329 120.570 -0.321 0.000 2.142 132 I HA -0.237 3.931 4.170 -0.003 0.000 0.240 132 I C 2.812 178.859 176.117 -0.116 0.000 1.078 132 I CA 1.157 62.313 61.300 -0.240 0.000 1.343 132 I CB -0.785 37.036 38.000 -0.297 0.000 1.046 132 I HN 0.262 nan 8.210 nan 0.000 0.405 133 A N 0.876 123.597 122.820 -0.165 0.000 1.884 133 A HA -0.264 4.054 4.320 -0.003 0.000 0.219 133 A C 2.412 179.881 177.584 -0.191 0.000 1.197 133 A CA 2.914 54.844 52.037 -0.178 0.000 0.637 133 A CB -1.308 17.552 19.000 -0.234 0.000 0.827 133 A HN 0.447 nan 8.150 nan 0.000 0.450 134 T N 0.143 114.536 114.554 -0.268 0.000 2.777 134 T HA -0.061 4.287 4.350 -0.003 0.000 0.266 134 T C 1.850 176.653 174.700 0.171 0.000 1.040 134 T CA 1.383 63.392 62.100 -0.151 0.000 1.141 134 T CB -0.393 68.313 68.868 -0.270 0.000 0.868 134 T HN 0.328 nan 8.240 nan 0.000 0.444 135 L N 0.396 121.753 121.223 0.223 0.000 1.989 135 L HA -0.159 4.179 4.340 -0.003 0.000 0.211 135 L C 2.912 179.885 176.870 0.172 0.000 1.071 135 L CA 1.599 56.592 54.840 0.255 0.000 0.749 135 L CB -0.378 41.797 42.059 0.193 0.000 0.890 135 L HN 0.142 nan 8.230 nan 0.000 0.431 136 R N -0.553 119.991 120.500 0.073 0.000 2.091 136 R HA -0.146 4.192 4.340 -0.003 0.000 0.238 136 R C 2.271 178.566 176.300 -0.008 0.000 1.136 136 R CA 1.329 57.447 56.100 0.029 0.000 0.959 136 R CB -0.824 29.473 30.300 -0.003 0.000 0.856 136 R HN 0.473 nan 8.270 nan 0.000 0.437 137 G N -0.570 108.184 108.800 -0.078 0.000 2.470 137 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.220 137 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.220 137 G C 0.837 175.573 174.900 -0.273 0.000 1.121 137 G CA 0.467 45.440 45.100 -0.213 0.000 0.766 137 G HN 0.216 nan 8.290 nan 0.000 0.553 138 F N 0.096 120.050 119.950 0.006 0.000 2.727 138 F HA 0.384 4.909 4.527 -0.003 0.000 0.302 138 F C 1.879 177.690 175.800 0.018 0.000 1.097 138 F CA 0.247 58.260 58.000 0.022 0.000 1.330 138 F CB 0.873 39.904 39.000 0.052 0.000 1.084 138 F HN 0.240 nan 8.300 nan 0.000 0.578 139 G N -0.294 108.588 108.800 0.136 0.000 2.192 139 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.193 139 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.193 139 G C -0.046 174.892 174.900 0.062 0.000 0.999 139 G CA -0.199 44.953 45.100 0.086 0.000 0.659 139 G HN 0.018 nan 8.290 nan 0.000 0.503 140 V N 1.164 121.124 119.914 0.076 0.000 2.585 140 V HA 0.463 4.581 4.120 -0.003 0.000 0.296 140 V C 1.851 177.960 176.094 0.026 0.000 1.035 140 V CA 1.736 64.063 62.300 0.044 0.000 1.084 140 V CB 0.834 32.697 31.823 0.068 0.000 0.953 140 V HN 1.947 nan 8.190 nan 0.000 0.483 141 G N 3.970 112.769 108.800 -0.002 0.000 2.143 141 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.249 141 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.249 141 G C 0.054 174.970 174.900 0.026 0.000 0.981 141 G CA 0.506 45.613 45.100 0.012 0.000 0.665 141 G HN 0.644 nan 8.290 nan 0.000 0.528 142 K N -1.844 118.567 120.400 0.018 0.000 2.439 142 K HA 0.622 4.940 4.320 -0.003 0.000 0.260 142 K C 1.037 177.653 176.600 0.026 0.000 1.032 142 K CA -0.844 55.460 56.287 0.028 0.000 0.882 142 K CB 1.089 33.603 32.500 0.024 0.000 1.420 142 K HN -0.011 nan 8.250 nan 0.000 0.455 143 R N 1.096 121.616 120.500 0.034 0.000 2.105 143 R HA -0.107 4.231 4.340 -0.003 0.000 0.239 143 R C 1.646 177.959 176.300 0.023 0.000 1.135 143 R CA 2.438 58.558 56.100 0.034 0.000 0.967 143 R CB -1.169 29.152 30.300 0.034 0.000 0.861 143 R HN 0.884 nan 8.270 nan 0.000 0.442 144 G N 0.693 109.509 108.800 0.026 0.000 2.514 144 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.217 144 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.217 144 G C 1.351 176.267 174.900 0.027 0.000 1.198 144 G CA 1.066 46.185 45.100 0.032 0.000 0.780 144 G HN 0.392 nan 8.290 nan 0.000 0.565 145 I N 0.729 121.312 120.570 0.021 0.000 2.676 145 I HA 0.031 4.199 4.170 -0.003 0.000 0.259 145 I C 2.433 178.527 176.117 -0.037 0.000 1.194 145 I CA 1.014 62.316 61.300 0.003 0.000 1.473 145 I CB -0.162 37.838 38.000 0.001 0.000 1.096 145 I HN 0.406 nan 8.210 nan 0.000 0.443 146 E N 0.310 120.486 120.200 -0.040 0.000 2.072 146 E HA -0.235 4.113 4.350 -0.003 0.000 0.191 146 E C 1.952 178.524 176.600 -0.046 0.000 0.985 146 E CA 1.197 57.562 56.400 -0.058 0.000 0.801 146 E CB -0.037 29.658 29.700 -0.009 0.000 0.750 146 E HN 0.565 nan 8.360 nan 0.000 0.452 147 E N 0.206 120.394 120.200 -0.019 0.000 2.023 147 E HA -0.262 4.086 4.350 -0.003 0.000 0.196 147 E C 2.258 178.834 176.600 -0.040 0.000 1.003 147 E CA 1.223 57.611 56.400 -0.020 0.000 0.809 147 E CB -0.171 29.529 29.700 -0.001 0.000 0.755 147 E HN 0.012 nan 8.360 nan 0.000 0.449 148 R N 1.185 121.672 120.500 -0.021 0.000 2.119 148 R HA -0.171 4.167 4.340 -0.003 0.000 0.246 148 R C 2.093 178.373 176.300 -0.034 0.000 1.146 148 R CA 1.469 57.562 56.100 -0.012 0.000 0.962 148 R CB -0.540 29.771 30.300 0.019 0.000 0.863 148 R HN 0.225 nan 8.270 nan 0.000 0.442 149 I N -0.028 120.499 120.570 -0.071 0.000 2.252 149 I HA -0.284 3.884 4.170 -0.003 0.000 0.245 149 I C 2.354 178.380 176.117 -0.152 0.000 1.102 149 I CA 1.445 62.658 61.300 -0.144 0.000 1.385 149 I CB -0.382 37.447 38.000 -0.285 0.000 1.064 149 I HN 0.334 nan 8.210 nan 0.000 0.414 150 Q N 0.460 120.184 119.800 -0.126 0.000 2.050 150 Q HA -0.272 4.066 4.340 -0.003 0.000 0.202 150 Q C 2.158 178.078 176.000 -0.133 0.000 0.980 150 Q CA 1.802 57.544 55.803 -0.101 0.000 0.840 150 Q CB -0.195 28.504 28.738 -0.066 0.000 0.898 150 Q HN 0.489 nan 8.270 nan 0.000 0.424 151 E N 0.925 121.010 120.200 -0.193 0.000 2.038 151 E HA -0.273 4.076 4.350 -0.003 0.000 0.195 151 E C 1.856 178.069 176.600 -0.646 0.000 1.000 151 E CA 1.332 57.478 56.400 -0.424 0.000 0.803 151 E CB 0.063 29.540 29.700 -0.373 0.000 0.750 151 E HN 0.167 nan 8.360 nan 0.000 0.448 152 E N 0.137 120.162 120.200 -0.291 0.000 2.153 152 E HA -0.149 4.199 4.350 -0.003 0.000 0.194 152 E C 1.624 178.331 176.600 0.177 0.000 0.988 152 E CA 1.292 57.685 56.400 -0.012 0.000 0.811 152 E CB -0.233 29.620 29.700 0.255 0.000 0.746 152 E HN 0.376 nan 8.360 nan 0.000 0.466 153 A N -0.086 122.843 122.820 0.183 0.000 1.930 153 A HA 0.013 4.331 4.320 -0.003 0.000 0.217 153 A C 2.401 180.092 177.584 0.179 0.000 1.175 153 A CA 1.490 53.726 52.037 0.331 0.000 0.627 153 A CB -1.117 18.017 19.000 0.223 0.000 0.815 153 A HN 0.401 nan 8.150 nan 0.000 0.443 154 G N -0.778 108.024 108.800 0.004 0.000 2.421 154 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.216 154 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.216 154 G C 1.446 176.447 174.900 0.168 0.000 1.171 154 G CA 1.018 46.130 45.100 0.020 0.000 0.775 154 G HN 0.541 nan 8.290 nan 0.000 0.543 155 F N -0.151 119.842 119.950 0.072 0.000 2.307 155 F HA -0.056 4.469 4.527 -0.003 0.000 0.301 155 F C 2.413 178.225 175.800 0.021 0.000 1.076 155 F CA 0.099 58.070 58.000 -0.048 0.000 1.383 155 F CB -0.048 38.840 39.000 -0.187 0.000 1.055 155 F HN 0.162 nan 8.300 nan 0.000 0.526 156 L N 0.328 121.767 121.223 0.360 0.000 2.095 156 L HA -0.119 4.219 4.340 -0.003 0.000 0.204 156 L C 2.092 179.099 176.870 0.228 0.000 1.080 156 L CA 1.399 56.448 54.840 0.348 0.000 0.759 156 L CB -0.662 41.550 42.059 0.256 0.000 0.914 156 L HN -0.053 nan 8.230 nan 0.000 0.439 157 I N 0.112 120.831 120.570 0.247 0.000 2.163 157 I HA -0.273 3.895 4.170 -0.003 0.000 0.243 157 I C 2.150 178.442 176.117 0.291 0.000 1.085 157 I CA 1.287 62.781 61.300 0.323 0.000 1.347 157 I CB -1.565 36.604 38.000 0.282 0.000 1.044 157 I HN 0.291 nan 8.210 nan 0.000 0.408 158 D N 1.370 121.904 120.400 0.223 0.000 2.106 158 D HA -0.162 4.476 4.640 -0.003 0.000 0.191 158 D C 2.304 178.698 176.300 0.157 0.000 0.997 158 D CA 1.856 55.961 54.000 0.175 0.000 0.834 158 D CB -0.265 40.616 40.800 0.135 0.000 0.956 158 D HN 0.330 nan 8.370 nan 0.000 0.448 159 A N 0.740 123.662 122.820 0.170 0.000 1.883 159 A HA -0.162 4.156 4.320 -0.003 0.000 0.217 159 A C 2.444 180.105 177.584 0.128 0.000 1.186 159 A CA 1.184 53.355 52.037 0.224 0.000 0.624 159 A CB -0.924 18.339 19.000 0.439 0.000 0.822 159 A HN 0.237 nan 8.150 nan 0.000 0.444 160 L N -1.229 119.974 121.223 -0.032 0.000 2.131 160 L HA -0.202 4.136 4.340 -0.003 0.000 0.210 160 L C 2.894 179.672 176.870 -0.152 0.000 1.092 160 L CA 1.342 55.935 54.840 -0.412 0.000 0.759 160 L CB -0.468 40.966 42.059 -1.041 0.000 0.903 160 L HN 0.389 nan 8.230 nan 0.000 0.435 161 R N -0.067 120.545 120.500 0.186 0.000 2.070 161 R HA -0.097 4.241 4.340 -0.003 0.000 0.233 161 R C 2.227 178.596 176.300 0.115 0.000 1.137 161 R CA 1.283 57.561 56.100 0.297 0.000 0.945 161 R CB -0.838 29.635 30.300 0.289 0.000 0.845 161 R HN 0.391 nan 8.270 nan 0.000 0.430 162 G N -0.386 108.420 108.800 0.009 0.000 2.615 162 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.213 162 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.213 162 G C 1.144 175.740 174.900 -0.506 0.000 1.135 162 G CA 1.031 45.988 45.100 -0.238 0.000 0.772 162 G HN 0.276 nan 8.290 nan 0.000 0.542 163 T N 0.023 114.426 114.554 -0.252 0.000 3.067 163 T HA 0.041 4.389 4.350 -0.003 0.000 0.261 163 T C 1.079 175.728 174.700 -0.084 0.000 1.110 163 T CA 0.268 62.261 62.100 -0.179 0.000 1.113 163 T CB -0.312 68.462 68.868 -0.156 0.000 0.917 163 T HN 0.697 nan 8.240 nan 0.000 0.499 164 H N -0.338 118.785 119.070 0.087 0.000 2.655 164 H HA -0.193 4.361 4.556 -0.003 0.000 0.313 164 H C 1.223 176.601 175.328 0.083 0.000 1.141 164 H CA 0.049 56.150 56.048 0.088 0.000 1.138 164 H CB -1.625 28.177 29.762 0.068 0.000 1.446 164 H HN 0.547 nan 8.280 nan 0.000 0.415 165 G N -1.377 107.537 108.800 0.191 0.000 2.189 165 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.267 165 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.267 165 G C 0.641 175.590 174.900 0.083 0.000 0.975 165 G CA 0.303 45.488 45.100 0.142 0.000 0.644 165 G HN 1.229 nan 8.290 nan 0.000 0.537 166 A N -0.047 122.815 122.820 0.070 0.000 2.520 166 A HA 0.414 4.732 4.320 -0.003 0.000 0.235 166 A C 0.808 178.391 177.584 -0.001 0.000 1.065 166 A CA 0.553 52.612 52.037 0.037 0.000 0.764 166 A CB 0.186 19.206 19.000 0.033 0.000 1.002 166 A HN 0.635 nan 8.150 nan 0.000 0.502 167 N N 2.062 120.758 118.700 -0.007 0.000 2.508 167 N HA 0.268 5.006 4.740 -0.003 0.000 0.253 167 N C -0.208 175.281 175.510 -0.035 0.000 1.145 167 N CA -0.065 52.965 53.050 -0.034 0.000 0.973 167 N CB -0.092 38.383 38.487 -0.020 0.000 1.305 167 N HN 0.641 nan 8.380 nan 0.000 0.506 168 I N -0.796 119.736 120.570 -0.063 0.000 3.205 168 I HA 0.535 4.703 4.170 -0.003 0.000 0.310 168 I C -0.302 175.778 176.117 -0.062 0.000 1.089 168 I CA -1.061 60.215 61.300 -0.040 0.000 1.023 168 I CB 1.391 39.359 38.000 -0.054 0.000 1.269 168 I HN 0.099 nan 8.210 nan 0.000 0.512 169 D N 2.836 123.229 120.400 -0.011 0.000 2.373 169 D HA 0.345 4.983 4.640 -0.003 0.000 0.227 169 D C -1.576 174.747 176.300 0.038 0.000 1.091 169 D CA -2.628 51.325 54.000 -0.078 0.000 0.840 169 D CB 1.444 42.210 40.800 -0.057 0.000 1.060 169 D HN 0.338 nan 8.370 nan 0.000 0.502 170 P HA -0.139 nan 4.420 nan 0.000 0.222 170 P C 1.172 178.509 177.300 0.062 0.000 1.147 170 P CA 0.648 63.819 63.100 0.119 0.000 0.790 170 P CB 0.221 32.016 31.700 0.159 0.000 0.780 171 T N 0.806 115.279 114.554 -0.135 0.000 2.572 171 T HA -0.229 4.119 4.350 -0.003 0.000 0.258 171 T C 1.263 175.676 174.700 -0.477 0.000 1.154 171 T CA 2.028 63.918 62.100 -0.350 0.000 1.157 171 T CB -1.128 67.467 68.868 -0.456 0.000 0.856 171 T HN 0.126 nan 8.240 nan 0.000 0.443 172 F N -0.551 119.304 119.950 -0.159 0.000 2.811 172 F HA 0.327 4.852 4.527 -0.003 0.000 0.301 172 F C 1.496 177.065 175.800 -0.384 0.000 1.151 172 F CA -0.281 57.535 58.000 -0.306 0.000 1.412 172 F CB -0.376 38.403 39.000 -0.368 0.000 1.113 172 F HN 0.106 nan 8.300 nan 0.000 0.579 173 F N -0.503 119.355 119.950 -0.153 0.000 2.317 173 F HA 0.004 4.529 4.527 -0.003 0.000 0.293 173 F C 1.990 177.625 175.800 -0.276 0.000 1.085 173 F CA 0.907 58.794 58.000 -0.188 0.000 1.390 173 F CB -0.348 38.571 39.000 -0.134 0.000 1.077 173 F HN -0.133 nan 8.300 nan 0.000 0.517 174 L N -0.676 120.474 121.223 -0.122 0.000 2.068 174 L HA -0.148 4.190 4.340 -0.003 0.000 0.204 174 L C 2.655 179.314 176.870 -0.351 0.000 1.076 174 L CA 1.385 56.052 54.840 -0.289 0.000 0.753 174 L CB -0.949 40.909 42.059 -0.335 0.000 0.910 174 L HN 0.152 nan 8.230 nan 0.000 0.439 175 S N 0.037 115.514 115.700 -0.372 0.000 2.356 175 S HA -0.282 4.186 4.470 -0.003 0.000 0.223 175 S C 2.056 176.460 174.600 -0.326 0.000 1.032 175 S CA 1.243 59.217 58.200 -0.377 0.000 1.005 175 S CB -0.537 62.368 63.200 -0.491 0.000 0.867 175 S HN 0.280 nan 8.310 nan 0.000 0.449 176 R N 1.042 121.302 120.500 -0.399 0.000 2.094 176 R HA -0.108 4.230 4.340 -0.003 0.000 0.239 176 R C 2.437 178.628 176.300 -0.181 0.000 1.137 176 R CA 2.202 58.039 56.100 -0.438 0.000 0.943 176 R CB -1.020 28.886 30.300 -0.657 0.000 0.850 176 R HN 0.520 nan 8.270 nan 0.000 0.433 177 T N -0.084 114.309 114.554 -0.269 0.000 2.708 177 T HA -0.101 4.247 4.350 -0.003 0.000 0.266 177 T C 1.791 176.503 174.700 0.021 0.000 1.037 177 T CA 1.496 63.568 62.100 -0.046 0.000 1.146 177 T CB -0.154 68.645 68.868 -0.115 0.000 0.865 177 T HN 0.035 nan 8.240 nan 0.000 0.435 178 V N 1.210 121.025 119.914 -0.165 0.000 2.287 178 V HA -0.173 3.945 4.120 -0.003 0.000 0.248 178 V C 2.686 178.852 176.094 0.120 0.000 1.053 178 V CA 2.019 64.297 62.300 -0.036 0.000 1.027 178 V CB -0.813 30.922 31.823 -0.147 0.000 0.646 178 V HN 0.480 nan 8.190 nan 0.000 0.447 179 S N 0.098 115.864 115.700 0.110 0.000 2.419 179 S HA -0.191 4.277 4.470 -0.003 0.000 0.233 179 S C 1.827 176.674 174.600 0.411 0.000 1.016 179 S CA 1.429 59.778 58.200 0.248 0.000 0.974 179 S CB -0.493 62.881 63.200 0.290 0.000 0.786 179 S HN 0.635 nan 8.310 nan 0.000 0.492 180 N N 0.915 119.864 118.700 0.414 0.000 2.459 180 N HA -0.004 4.734 4.740 -0.003 0.000 0.181 180 N C 1.538 177.202 175.510 0.258 0.000 1.046 180 N CA 0.777 54.050 53.050 0.372 0.000 0.904 180 N CB -0.306 38.428 38.487 0.413 0.000 0.964 180 N HN 0.292 nan 8.380 nan 0.000 0.444 181 V N 0.839 120.900 119.914 0.245 0.000 2.255 181 V HA -0.143 3.975 4.120 -0.003 0.000 0.243 181 V C 2.210 178.370 176.094 0.111 0.000 1.038 181 V CA 1.022 63.426 62.300 0.173 0.000 1.008 181 V CB -0.393 31.540 31.823 0.183 0.000 0.645 181 V HN 0.155 nan 8.190 nan 0.000 0.449 182 I N 0.243 120.883 120.570 0.118 0.000 2.493 182 I HA -0.149 4.019 4.170 -0.003 0.000 0.254 182 I C 2.392 178.508 176.117 -0.002 0.000 1.160 182 I CA 1.374 62.707 61.300 0.055 0.000 1.445 182 I CB -0.301 37.740 38.000 0.069 0.000 1.086 182 I HN 0.210 nan 8.210 nan 0.000 0.433 183 S N 0.144 115.911 115.700 0.112 0.000 2.383 183 S HA -0.164 4.304 4.470 -0.003 0.000 0.227 183 S C 2.114 176.663 174.600 -0.084 0.000 1.026 183 S CA 1.405 59.618 58.200 0.021 0.000 0.981 183 S CB -0.605 62.817 63.200 0.371 0.000 0.818 183 S HN 0.733 nan 8.310 nan 0.000 0.472 184 S N 1.515 117.203 115.700 -0.019 0.000 2.419 184 S HA 0.010 4.479 4.470 -0.003 0.000 0.233 184 S C 1.693 176.219 174.600 -0.124 0.000 1.016 184 S CA 0.752 58.927 58.200 -0.042 0.000 0.974 184 S CB -0.559 62.652 63.200 0.017 0.000 0.786 184 S HN 0.460 nan 8.310 nan 0.000 0.492 185 I N 1.816 122.290 120.570 -0.160 0.000 2.270 185 I HA -0.083 4.085 4.170 -0.003 0.000 0.239 185 I C 2.705 178.608 176.117 -0.356 0.000 1.080 185 I CA 1.068 62.196 61.300 -0.285 0.000 1.383 185 I CB -0.462 37.448 38.000 -0.150 0.000 1.097 185 I HN 0.322 nan 8.210 nan 0.000 0.420 186 V N -1.457 118.254 119.914 -0.340 0.000 2.358 186 V HA -0.183 3.935 4.120 -0.003 0.000 0.246 186 V C 1.988 177.925 176.094 -0.260 0.000 1.047 186 V CA 1.647 63.728 62.300 -0.365 0.000 1.035 186 V CB -0.930 30.484 31.823 -0.682 0.000 0.658 186 V HN 0.240 nan 8.190 nan 0.000 0.452 187 F N 1.756 121.651 119.950 -0.092 0.000 2.749 187 F HA 0.657 5.183 4.527 -0.003 0.000 0.300 187 F C 2.112 177.829 175.800 -0.139 0.000 1.103 187 F CA -0.207 57.718 58.000 -0.125 0.000 1.342 187 F CB -0.322 38.554 39.000 -0.206 0.000 1.098 187 F HN 0.405 nan 8.300 nan 0.000 0.586 188 G N 0.021 108.803 108.800 -0.029 0.000 2.199 188 G HA2 -0.250 3.709 3.960 -0.003 0.000 0.254 188 G HA3 -0.250 3.709 3.960 -0.003 0.000 0.254 188 G C -0.206 174.675 174.900 -0.032 0.000 0.982 188 G CA 0.396 45.467 45.100 -0.048 0.000 0.632 188 G HN 0.406 nan 8.290 nan 0.000 0.529 189 D N -1.262 119.108 120.400 -0.051 0.000 2.683 189 D HA 0.425 5.064 4.640 -0.003 0.000 0.246 189 D C 0.486 176.687 176.300 -0.165 0.000 1.238 189 D CA -0.293 53.662 54.000 -0.075 0.000 0.759 189 D CB 0.599 41.355 40.800 -0.074 0.000 1.349 189 D HN 0.526 nan 8.370 nan 0.000 0.426 190 R N 0.400 120.842 120.500 -0.098 0.000 2.652 190 R HA 0.580 4.918 4.340 -0.003 0.000 0.271 190 R C -0.456 175.679 176.300 -0.275 0.000 1.129 190 R CA -0.299 55.742 56.100 -0.099 0.000 1.200 190 R CB 0.366 30.739 30.300 0.122 0.000 1.146 190 R HN 0.182 nan 8.270 nan 0.000 0.581 191 F N -0.825 118.994 119.950 -0.218 0.000 2.483 191 F HA 0.227 4.752 4.527 -0.003 0.000 0.329 191 F C 0.715 176.442 175.800 -0.122 0.000 1.064 191 F CA -0.665 57.102 58.000 -0.388 0.000 0.986 191 F CB 1.130 39.357 39.000 -1.288 0.000 1.218 191 F HN 0.532 nan 8.300 nan 0.000 0.484 192 D N 0.412 120.919 120.400 0.178 0.000 2.302 192 D HA -0.013 4.625 4.640 -0.003 0.000 0.248 192 D C 0.518 177.042 176.300 0.373 0.000 1.094 192 D CA -0.036 54.082 54.000 0.198 0.000 0.897 192 D CB 0.754 41.617 40.800 0.105 0.000 1.200 192 D HN 0.429 nan 8.370 nan 0.000 0.429 193 Y N 1.786 122.162 120.300 0.126 0.000 2.556 193 Y HA -0.108 4.440 4.550 -0.003 0.000 0.290 193 Y C 1.678 177.618 175.900 0.067 0.000 1.149 193 Y CA 0.818 59.002 58.100 0.140 0.000 1.329 193 Y CB 0.088 38.579 38.460 0.052 0.000 0.975 193 Y HN 0.472 nan 8.280 nan 0.000 0.561 194 E N -0.554 119.768 120.200 0.204 0.000 2.548 194 E HA 0.033 4.382 4.350 -0.003 0.000 0.206 194 E C -0.306 176.339 176.600 0.075 0.000 1.005 194 E CA -0.089 56.363 56.400 0.087 0.000 0.951 194 E CB 0.002 29.733 29.700 0.052 0.000 1.035 194 E HN 0.107 nan 8.360 nan 0.000 0.470 195 D N 0.757 121.243 120.400 0.144 0.000 2.383 195 D HA 0.001 4.639 4.640 -0.003 0.000 0.252 195 D C 0.608 176.937 176.300 0.049 0.000 1.166 195 D CA 0.335 54.404 54.000 0.114 0.000 0.879 195 D CB 0.938 41.838 40.800 0.168 0.000 1.164 195 D HN 0.005 nan 8.370 nan 0.000 0.462 196 K N 2.696 123.092 120.400 -0.006 0.000 2.305 196 K HA -0.069 4.249 4.320 -0.003 0.000 0.199 196 K C 1.564 178.109 176.600 -0.093 0.000 1.047 196 K CA 0.288 56.536 56.287 -0.066 0.000 0.976 196 K CB 0.416 32.878 32.500 -0.063 0.000 0.765 196 K HN 0.533 nan 8.250 nan 0.000 0.474 197 E N 0.501 120.661 120.200 -0.066 0.000 2.112 197 E HA -0.155 4.193 4.350 -0.003 0.000 0.190 197 E C 1.719 178.197 176.600 -0.204 0.000 0.979 197 E CA 0.503 56.837 56.400 -0.110 0.000 0.814 197 E CB -0.004 29.665 29.700 -0.052 0.000 0.762 197 E HN 0.118 nan 8.360 nan 0.000 0.460 198 F N 1.871 121.554 119.950 -0.445 0.000 2.065 198 F HA -0.231 4.294 4.527 -0.003 0.000 0.298 198 F C 2.066 177.610 175.800 -0.427 0.000 1.112 198 F CA 1.476 59.087 58.000 -0.649 0.000 1.212 198 F CB -0.887 37.734 39.000 -0.632 0.000 0.975 198 F HN 0.179 nan 8.300 nan 0.000 0.476 199 L N -0.372 120.624 121.223 -0.378 0.000 2.127 199 L HA -0.138 4.200 4.340 -0.003 0.000 0.211 199 L C 2.479 179.109 176.870 -0.401 0.000 1.089 199 L CA 2.186 56.735 54.840 -0.485 0.000 0.757 199 L CB -1.314 40.495 42.059 -0.415 0.000 0.899 199 L HN 0.253 nan 8.230 nan 0.000 0.434 200 S N -0.916 114.606 115.700 -0.297 0.000 2.355 200 S HA -0.098 4.370 4.470 -0.003 0.000 0.222 200 S C 1.981 176.453 174.600 -0.214 0.000 1.031 200 S CA 1.332 59.392 58.200 -0.233 0.000 0.993 200 S CB -0.352 62.745 63.200 -0.172 0.000 0.859 200 S HN 0.536 nan 8.310 nan 0.000 0.453 201 L N 1.144 122.220 121.223 -0.244 0.000 2.079 201 L HA -0.119 4.219 4.340 -0.003 0.000 0.210 201 L C 2.362 179.102 176.870 -0.215 0.000 1.081 201 L CA 1.091 55.815 54.840 -0.193 0.000 0.752 201 L CB -0.610 41.330 42.059 -0.199 0.000 0.896 201 L HN 0.352 nan 8.230 nan 0.000 0.433 202 L N -0.772 120.280 121.223 -0.285 0.000 2.093 202 L HA -0.177 4.161 4.340 -0.003 0.000 0.208 202 L C 2.797 179.634 176.870 -0.055 0.000 1.085 202 L CA 1.167 55.861 54.840 -0.242 0.000 0.755 202 L CB -0.483 41.431 42.059 -0.243 0.000 0.904 202 L HN 0.193 nan 8.230 nan 0.000 0.435 203 R N -0.428 120.045 120.500 -0.044 0.000 2.092 203 R HA -0.095 4.243 4.340 -0.003 0.000 0.231 203 R C 2.358 178.630 176.300 -0.047 0.000 1.119 203 R CA 1.250 57.354 56.100 0.007 0.000 0.970 203 R CB -0.292 29.930 30.300 -0.131 0.000 0.864 203 R HN 0.332 nan 8.270 nan 0.000 0.440 204 M N 0.038 119.579 119.600 -0.098 0.000 2.080 204 M HA -0.228 4.250 4.480 -0.003 0.000 0.260 204 M C 2.397 178.625 176.300 -0.120 0.000 1.068 204 M CA 1.919 57.170 55.300 -0.083 0.000 1.109 204 M CB -0.312 32.251 32.600 -0.062 0.000 1.342 204 M HN 0.182 nan 8.290 nan 0.000 0.405 205 M N -0.075 119.344 119.600 -0.302 0.000 2.067 205 M HA -0.225 4.253 4.480 -0.003 0.000 0.260 205 M C 2.269 178.438 176.300 -0.220 0.000 1.069 205 M CA 1.633 56.558 55.300 -0.625 0.000 1.117 205 M CB -0.506 31.507 32.600 -0.978 0.000 1.334 205 M HN 0.287 nan 8.290 nan 0.000 0.407 206 L N -0.051 121.091 121.223 -0.136 0.000 2.201 206 L HA -0.070 4.268 4.340 -0.003 0.000 0.212 206 L C 2.203 179.144 176.870 0.119 0.000 1.105 206 L CA 1.347 56.193 54.840 0.009 0.000 0.775 206 L CB -0.561 41.453 42.059 -0.075 0.000 0.913 206 L HN 0.295 nan 8.230 nan 0.000 0.440 207 G N -0.729 108.111 108.800 0.067 0.000 2.434 207 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.214 207 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.214 207 G C 1.632 176.595 174.900 0.106 0.000 1.202 207 G CA 0.827 45.963 45.100 0.059 0.000 0.788 207 G HN 0.537 nan 8.290 nan 0.000 0.539 208 S N 0.311 116.093 115.700 0.137 0.000 2.382 208 S HA -0.074 4.394 4.470 -0.003 0.000 0.228 208 S C 2.128 176.910 174.600 0.303 0.000 1.027 208 S CA 1.255 59.549 58.200 0.156 0.000 0.991 208 S CB -0.507 62.807 63.200 0.190 0.000 0.823 208 S HN 0.260 nan 8.310 nan 0.000 0.469 209 F N 2.470 122.626 119.950 0.343 0.000 2.075 209 F HA -0.057 4.469 4.527 -0.003 0.000 0.297 209 F C 2.832 178.767 175.800 0.225 0.000 1.113 209 F CA 1.922 60.171 58.000 0.415 0.000 1.218 209 F CB -0.774 38.528 39.000 0.502 0.000 0.984 209 F HN 0.240 nan 8.300 nan 0.000 0.472 210 Q N -0.850 119.085 119.800 0.225 0.000 2.234 210 Q HA -0.261 4.077 4.340 -0.003 0.000 0.206 210 Q C 2.238 178.193 176.000 -0.076 0.000 0.980 210 Q CA 1.783 57.604 55.803 0.031 0.000 0.869 210 Q CB -0.539 28.252 28.738 0.089 0.000 0.912 210 Q HN 0.525 nan 8.270 nan 0.000 0.436 211 F N 0.986 120.850 119.950 -0.145 0.000 2.134 211 F HA -0.179 4.347 4.527 -0.003 0.000 0.299 211 F C 2.341 178.009 175.800 -0.219 0.000 1.097 211 F CA 2.001 59.868 58.000 -0.221 0.000 1.264 211 F CB -0.772 38.070 39.000 -0.263 0.000 1.001 211 F HN 0.171 nan 8.300 nan 0.000 0.479 212 T N -1.470 112.891 114.554 -0.322 0.000 2.897 212 T HA -0.086 4.262 4.350 -0.003 0.000 0.271 212 T C 1.834 176.370 174.700 -0.273 0.000 1.084 212 T CA 0.967 62.868 62.100 -0.332 0.000 1.123 212 T CB -0.883 67.920 68.868 -0.109 0.000 0.865 212 T HN 0.302 nan 8.240 nan 0.000 0.496 213 A N 1.367 124.011 122.820 -0.294 0.000 2.275 213 A HA 0.345 4.663 4.320 -0.003 0.000 0.212 213 A C 1.458 178.882 177.584 -0.267 0.000 1.201 213 A CA 0.446 52.346 52.037 -0.227 0.000 0.843 213 A CB -0.506 18.375 19.000 -0.198 0.000 0.873 213 A HN 0.716 nan 8.150 nan 0.000 0.492 214 T N -2.806 111.481 114.554 -0.445 0.000 2.918 214 T HA 0.389 4.737 4.350 -0.003 0.000 0.283 214 T C 1.364 175.887 174.700 -0.294 0.000 1.001 214 T CA 0.182 62.011 62.100 -0.451 0.000 1.041 214 T CB 1.383 69.918 68.868 -0.555 0.000 1.028 214 T HN 0.452 nan 8.240 nan 0.000 0.511 215 S N 1.389 116.995 115.700 -0.156 0.000 2.374 215 S HA -0.193 4.275 4.470 -0.003 0.000 0.227 215 S C 1.941 176.489 174.600 -0.086 0.000 1.037 215 S CA 1.777 59.932 58.200 -0.075 0.000 1.024 215 S CB -1.743 61.453 63.200 -0.006 0.000 0.861 215 S HN 0.822 nan 8.310 nan 0.000 0.456 216 T N 1.728 116.213 114.554 -0.114 0.000 2.833 216 T HA 0.061 4.409 4.350 -0.003 0.000 0.269 216 T C 1.986 176.565 174.700 -0.203 0.000 1.054 216 T CA 1.279 63.349 62.100 -0.051 0.000 1.135 216 T CB -1.047 67.848 68.868 0.045 0.000 0.869 216 T HN 0.666 nan 8.240 nan 0.000 0.466 217 G N 0.935 109.331 108.800 -0.673 0.000 2.422 217 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.218 217 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.218 217 G C 1.628 176.354 174.900 -0.291 0.000 1.146 217 G CA 0.416 44.904 45.100 -1.022 0.000 0.769 217 G HN 0.355 nan 8.290 nan 0.000 0.547 218 Q N -0.445 119.250 119.800 -0.175 0.000 2.137 218 Q HA 0.106 4.444 4.340 -0.003 0.000 0.198 218 Q C 2.555 178.566 176.000 0.018 0.000 0.960 218 Q CA 0.334 56.110 55.803 -0.045 0.000 0.847 218 Q CB -0.495 28.225 28.738 -0.030 0.000 0.915 218 Q HN 0.429 nan 8.270 nan 0.000 0.448 219 L N 0.084 121.345 121.223 0.065 0.000 2.079 219 L HA -0.192 4.146 4.340 -0.003 0.000 0.210 219 L C 2.201 179.166 176.870 0.159 0.000 1.081 219 L CA 1.632 56.569 54.840 0.161 0.000 0.752 219 L CB -0.813 41.386 42.059 0.232 0.000 0.896 219 L HN 0.192 nan 8.230 nan 0.000 0.433 220 Y N 0.055 120.393 120.300 0.063 0.000 2.165 220 Y HA -0.276 4.272 4.550 -0.003 0.000 0.286 220 Y C 2.458 178.387 175.900 0.048 0.000 1.155 220 Y CA 1.830 59.994 58.100 0.108 0.000 1.164 220 Y CB 0.129 38.680 38.460 0.152 0.000 0.978 220 Y HN 0.247 nan 8.280 nan 0.000 0.513 221 E N 0.035 120.226 120.200 -0.014 0.000 2.118 221 E HA -0.250 4.098 4.350 -0.003 0.000 0.195 221 E C 2.125 178.593 176.600 -0.219 0.000 0.992 221 E CA 1.853 58.203 56.400 -0.084 0.000 0.804 221 E CB -0.399 29.307 29.700 0.010 0.000 0.741 221 E HN 0.647 nan 8.360 nan 0.000 0.458 222 M N -1.149 118.262 119.600 -0.316 0.000 2.193 222 M HA -0.031 4.447 4.480 -0.003 0.000 0.265 222 M C 0.671 176.408 176.300 -0.938 0.000 1.071 222 M CA 1.189 56.071 55.300 -0.697 0.000 1.140 222 M CB 0.090 32.104 32.600 -0.977 0.000 1.369 222 M HN -0.055 nan 8.290 nan 0.000 0.423 223 F N -0.674 119.194 119.950 -0.136 0.000 2.818 223 F HA 0.221 4.746 4.527 -0.003 0.000 0.369 223 F C 1.640 177.366 175.800 -0.123 0.000 1.327 223 F CA -0.607 57.334 58.000 -0.098 0.000 1.211 223 F CB -0.136 38.876 39.000 0.020 0.000 1.036 223 F HN 0.055 nan 8.300 nan 0.000 0.510 224 S N -1.620 113.910 115.700 -0.283 0.000 2.419 224 S HA -0.207 4.261 4.470 -0.003 0.000 0.235 224 S C 2.190 176.772 174.600 -0.030 0.000 1.019 224 S CA 1.582 59.453 58.200 -0.549 0.000 0.982 224 S CB -0.368 62.296 63.200 -0.893 0.000 0.789 224 S HN 0.345 nan 8.310 nan 0.000 0.490 225 S N 0.638 116.393 115.700 0.092 0.000 2.400 225 S HA -0.025 4.443 4.470 -0.003 0.000 0.232 225 S C 1.729 176.506 174.600 0.295 0.000 1.025 225 S CA 1.338 59.661 58.200 0.205 0.000 0.993 225 S CB -0.348 63.001 63.200 0.248 0.000 0.808 225 S HN 0.513 nan 8.310 nan 0.000 0.478 226 V N 0.777 120.872 119.914 0.302 0.000 2.436 226 V HA 0.086 4.204 4.120 -0.003 0.000 0.240 226 V C 2.053 178.317 176.094 0.284 0.000 1.040 226 V CA 1.068 63.542 62.300 0.290 0.000 1.052 226 V CB -0.483 31.475 31.823 0.225 0.000 0.707 226 V HN 0.404 nan 8.190 nan 0.000 0.469 227 M N 0.879 120.648 119.600 0.282 0.000 2.346 227 M HA -0.194 4.285 4.480 -0.003 0.000 0.263 227 M C 2.038 178.559 176.300 0.369 0.000 1.064 227 M CA 1.618 57.114 55.300 0.328 0.000 1.083 227 M CB -0.405 32.462 32.600 0.446 0.000 1.399 227 M HN 0.436 nan 8.290 nan 0.000 0.435 228 K N -0.909 119.687 120.400 0.328 0.000 2.439 228 K HA -0.105 4.213 4.320 -0.003 0.000 0.197 228 K C 0.761 177.300 176.600 -0.102 0.000 1.041 228 K CA 1.065 57.490 56.287 0.231 0.000 0.970 228 K CB -0.127 32.441 32.500 0.114 0.000 0.773 228 K HN 0.441 nan 8.250 nan 0.000 0.479 229 H N -0.199 119.012 119.070 0.234 0.000 2.592 229 H HA 0.252 4.806 4.556 -0.003 0.000 0.279 229 H C -0.454 174.943 175.328 0.115 0.000 1.089 229 H CA -0.395 55.747 56.048 0.156 0.000 1.150 229 H CB 0.429 30.263 29.762 0.121 0.000 1.575 229 H HN 0.054 nan 8.280 nan 0.000 0.547 230 L N 1.232 122.562 121.223 0.178 0.000 2.322 230 L HA 0.443 4.781 4.340 -0.003 0.000 0.269 230 L C -2.136 174.768 176.870 0.056 0.000 1.012 230 L CA -2.223 52.686 54.840 0.116 0.000 0.815 230 L CB 1.657 43.786 42.059 0.117 0.000 1.295 230 L HN -0.101 nan 8.230 nan 0.000 0.438 231 P HA 0.662 nan 4.420 nan 0.000 0.279 231 P C -0.634 176.638 177.300 -0.046 0.000 1.252 231 P CA -0.299 62.788 63.100 -0.022 0.000 0.811 231 P CB 1.221 32.913 31.700 -0.012 0.000 1.035 232 G N 1.071 109.808 108.800 -0.105 0.000 2.369 232 G HA2 0.051 4.009 3.960 -0.003 0.000 0.293 232 G HA3 0.051 4.009 3.960 -0.003 0.000 0.293 232 G C -2.644 172.113 174.900 -0.238 0.000 1.301 232 G CA -0.720 44.310 45.100 -0.116 0.000 0.913 232 G HN 0.147 nan 8.290 nan 0.000 0.540 233 P HA -0.125 nan 4.420 nan 0.000 0.216 233 P C 2.104 178.843 177.300 -0.936 0.000 1.150 233 P CA 2.093 64.973 63.100 -0.366 0.000 0.837 233 P CB 0.060 31.730 31.700 -0.049 0.000 0.786 234 Q N -0.171 118.959 119.800 -1.117 0.000 2.152 234 Q HA -0.253 4.085 4.340 -0.003 0.000 0.206 234 Q C 1.694 176.503 176.000 -1.986 0.000 0.985 234 Q CA 1.562 56.241 55.803 -1.873 0.000 0.863 234 Q CB -1.236 26.727 28.738 -1.291 0.000 0.904 234 Q HN 0.309 nan 8.270 nan 0.000 0.422 235 Q N 0.666 119.804 119.800 -1.104 0.000 2.119 235 Q HA -0.152 4.186 4.340 -0.003 0.000 0.201 235 Q C 2.041 177.650 176.000 -0.653 0.000 0.972 235 Q CA 1.857 57.220 55.803 -0.732 0.000 0.847 235 Q CB -0.323 28.216 28.738 -0.333 0.000 0.903 235 Q HN 0.504 nan 8.270 nan 0.000 0.433 236 Q N 0.648 120.080 119.800 -0.613 0.000 2.079 236 Q HA -0.027 4.311 4.340 -0.003 0.000 0.200 236 Q C 1.855 177.547 176.000 -0.513 0.000 0.974 236 Q CA 1.803 57.337 55.803 -0.448 0.000 0.840 236 Q CB -0.471 28.054 28.738 -0.354 0.000 0.898 236 Q HN 0.300 nan 8.270 nan 0.000 0.430 237 A N -0.331 121.993 122.820 -0.828 0.000 1.902 237 A HA -0.132 4.186 4.320 -0.003 0.000 0.217 237 A C 1.774 179.056 177.584 -0.504 0.000 1.181 237 A CA 1.533 53.131 52.037 -0.732 0.000 0.623 237 A CB -0.906 17.391 19.000 -1.171 0.000 0.818 237 A HN 0.454 nan 8.150 nan 0.000 0.443 238 F N 0.283 119.813 119.950 -0.701 0.000 2.171 238 F HA -0.078 4.447 4.527 -0.003 0.000 0.300 238 F C 2.171 177.722 175.800 -0.415 0.000 1.090 238 F CA 1.184 58.682 58.000 -0.836 0.000 1.293 238 F CB -0.769 37.227 39.000 -1.673 0.000 1.013 238 F HN 0.276 nan 8.300 nan 0.000 0.486 239 K N 0.826 121.130 120.400 -0.160 0.000 2.057 239 K HA -0.199 4.119 4.320 -0.003 0.000 0.207 239 K C 1.840 178.430 176.600 -0.017 0.000 1.049 239 K CA 1.769 58.019 56.287 -0.062 0.000 0.931 239 K CB -0.171 32.268 32.500 -0.102 0.000 0.714 239 K HN 0.260 nan 8.250 nan 0.000 0.440 240 E N 0.567 120.732 120.200 -0.057 0.000 2.110 240 E HA -0.165 4.183 4.350 -0.003 0.000 0.193 240 E C 2.048 178.699 176.600 0.085 0.000 0.988 240 E CA 1.146 57.541 56.400 -0.008 0.000 0.804 240 E CB 0.001 29.676 29.700 -0.041 0.000 0.745 240 E HN 0.311 nan 8.360 nan 0.000 0.458 241 L N 0.311 121.614 121.223 0.133 0.000 2.044 241 L HA -0.174 4.164 4.340 -0.003 0.000 0.205 241 L C 2.650 179.652 176.870 0.219 0.000 1.075 241 L CA 0.902 55.888 54.840 0.243 0.000 0.747 241 L CB -0.219 42.025 42.059 0.309 0.000 0.903 241 L HN 0.105 nan 8.230 nan 0.000 0.435 242 Q N 0.489 120.424 119.800 0.225 0.000 2.170 242 Q HA -0.133 4.205 4.340 -0.003 0.000 0.203 242 Q C 2.055 178.139 176.000 0.140 0.000 0.976 242 Q CA 1.859 57.779 55.803 0.195 0.000 0.858 242 Q CB -0.456 28.419 28.738 0.228 0.000 0.907 242 Q HN 0.407 nan 8.270 nan 0.000 0.433 243 G N 0.102 108.976 108.800 0.123 0.000 2.408 243 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.217 243 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.217 243 G C 1.312 176.311 174.900 0.165 0.000 1.150 243 G CA 0.799 45.966 45.100 0.111 0.000 0.776 243 G HN 0.379 nan 8.290 nan 0.000 0.542 244 L N -0.019 121.320 121.223 0.192 0.000 2.046 244 L HA -0.039 4.299 4.340 -0.003 0.000 0.208 244 L C 2.774 179.828 176.870 0.307 0.000 1.077 244 L CA 1.449 56.459 54.840 0.283 0.000 0.747 244 L CB -0.338 41.912 42.059 0.319 0.000 0.896 244 L HN 0.311 nan 8.230 nan 0.000 0.432 245 E N 0.165 120.494 120.200 0.214 0.000 2.110 245 E HA -0.240 4.108 4.350 -0.003 0.000 0.193 245 E C 1.532 178.205 176.600 0.122 0.000 0.988 245 E CA 1.337 57.825 56.400 0.146 0.000 0.804 245 E CB 0.125 29.857 29.700 0.052 0.000 0.745 245 E HN 0.456 nan 8.360 nan 0.000 0.458 246 D N -0.068 120.406 120.400 0.124 0.000 2.178 246 D HA -0.148 4.490 4.640 -0.003 0.000 0.202 246 D C 1.634 177.988 176.300 0.089 0.000 0.974 246 D CA 0.624 54.675 54.000 0.085 0.000 0.841 246 D CB -0.362 40.486 40.800 0.081 0.000 0.953 246 D HN 0.234 nan 8.370 nan 0.000 0.478 247 F N 1.537 121.504 119.950 0.029 0.000 2.084 247 F HA -0.202 4.323 4.527 -0.003 0.000 0.296 247 F C 2.102 177.882 175.800 -0.034 0.000 1.111 247 F CA 1.065 59.059 58.000 -0.010 0.000 1.224 247 F CB 0.014 39.016 39.000 0.004 0.000 0.991 247 F HN -0.200 nan 8.300 nan 0.000 0.471 248 I N 1.321 121.915 120.570 0.040 0.000 2.127 248 I HA -0.312 3.856 4.170 -0.003 0.000 0.241 248 I C 2.844 178.904 176.117 -0.094 0.000 1.075 248 I CA 1.574 62.862 61.300 -0.020 0.000 1.334 248 I CB -2.322 35.787 38.000 0.181 0.000 1.040 248 I HN 0.275 nan 8.210 nan 0.000 0.405 249 A N 0.624 123.420 122.820 -0.039 0.000 1.948 249 A HA -0.283 4.035 4.320 -0.003 0.000 0.220 249 A C 2.485 180.016 177.584 -0.087 0.000 1.177 249 A CA 2.221 54.232 52.037 -0.044 0.000 0.636 249 A CB -0.657 18.330 19.000 -0.022 0.000 0.815 249 A HN 0.478 nan 8.150 nan 0.000 0.449 250 K N -0.509 119.798 120.400 -0.155 0.000 2.001 250 K HA -0.160 4.158 4.320 -0.003 0.000 0.208 250 K C 2.006 178.486 176.600 -0.201 0.000 1.048 250 K CA 1.373 57.554 56.287 -0.178 0.000 0.932 250 K CB -0.187 32.176 32.500 -0.228 0.000 0.715 250 K HN 0.215 nan 8.250 nan 0.000 0.437 251 K N 0.705 120.889 120.400 -0.359 0.000 2.074 251 K HA -0.152 4.166 4.320 -0.003 0.000 0.209 251 K C 2.146 178.705 176.600 -0.067 0.000 1.048 251 K CA 1.357 57.474 56.287 -0.284 0.000 0.926 251 K CB -0.490 31.723 32.500 -0.478 0.000 0.713 251 K HN 0.087 nan 8.250 nan 0.000 0.444 252 V N 1.432 121.315 119.914 -0.052 0.000 2.255 252 V HA -0.248 3.870 4.120 -0.003 0.000 0.247 252 V C 2.168 178.269 176.094 0.011 0.000 1.051 252 V CA 1.845 64.149 62.300 0.006 0.000 1.018 252 V CB -0.448 31.382 31.823 0.012 0.000 0.641 252 V HN 0.390 nan 8.190 nan 0.000 0.445 253 E N -0.911 119.290 120.200 0.003 0.000 2.118 253 E HA -0.291 4.057 4.350 -0.003 0.000 0.195 253 E C 2.145 178.772 176.600 0.046 0.000 0.992 253 E CA 1.580 57.989 56.400 0.015 0.000 0.804 253 E CB -0.225 29.477 29.700 0.003 0.000 0.741 253 E HN 0.729 nan 8.360 nan 0.000 0.458 254 H N 1.050 120.083 119.070 -0.061 0.000 2.270 254 H HA -0.073 4.481 4.556 -0.003 0.000 0.299 254 H C 1.692 177.002 175.328 -0.030 0.000 1.077 254 H CA 2.135 58.150 56.048 -0.055 0.000 1.294 254 H CB -0.206 29.504 29.762 -0.086 0.000 1.371 254 H HN 0.024 nan 8.280 nan 0.000 0.491 255 N N 0.325 118.951 118.700 -0.123 0.000 2.149 255 N HA -0.157 4.581 4.740 -0.003 0.000 0.188 255 N C 1.938 177.389 175.510 -0.097 0.000 1.019 255 N CA 1.419 54.380 53.050 -0.148 0.000 0.857 255 N CB -0.210 38.262 38.487 -0.025 0.000 0.997 255 N HN 0.536 nan 8.380 nan 0.000 0.426 256 Q N -0.343 119.432 119.800 -0.042 0.000 2.135 256 Q HA -0.046 4.293 4.340 -0.003 0.000 0.204 256 Q C 1.237 177.217 176.000 -0.034 0.000 0.981 256 Q CA 1.007 56.798 55.803 -0.019 0.000 0.856 256 Q CB 0.088 28.828 28.738 0.004 0.000 0.902 256 Q HN 0.240 nan 8.270 nan 0.000 0.425 257 R N -0.356 120.113 120.500 -0.051 0.000 2.275 257 R HA 0.003 4.341 4.340 -0.003 0.000 0.199 257 R C 1.530 177.789 176.300 -0.067 0.000 0.989 257 R CA 1.026 57.101 56.100 -0.042 0.000 1.016 257 R CB -0.228 30.064 30.300 -0.013 0.000 0.918 257 R HN 0.353 nan 8.270 nan 0.000 0.473 258 T N -3.091 111.392 114.554 -0.119 0.000 3.091 258 T HA 0.221 4.569 4.350 -0.003 0.000 0.277 258 T C 0.462 175.113 174.700 -0.082 0.000 0.996 258 T CA -0.561 61.468 62.100 -0.119 0.000 0.897 258 T CB 0.004 68.739 68.868 -0.223 0.000 1.109 258 T HN -0.071 nan 8.240 nan 0.000 0.534 259 L N 3.490 124.677 121.223 -0.060 0.000 2.534 259 L HA 0.384 4.723 4.340 -0.003 0.000 0.271 259 L C -0.415 176.446 176.870 -0.016 0.000 1.178 259 L CA 0.316 55.139 54.840 -0.029 0.000 0.907 259 L CB 0.218 42.269 42.059 -0.013 0.000 1.164 259 L HN 0.114 nan 8.230 nan 0.000 0.482 260 D N 6.948 127.343 120.400 -0.007 0.000 2.427 260 D HA 0.344 4.982 4.640 -0.003 0.000 0.226 260 D C -1.894 174.407 176.300 0.002 0.000 1.076 260 D CA -2.247 51.751 54.000 -0.003 0.000 0.849 260 D CB 1.794 42.593 40.800 -0.001 0.000 1.052 260 D HN 0.335 nan 8.370 nan 0.000 0.515 261 P HA -0.103 nan 4.420 nan 0.000 0.217 261 P C -0.038 177.256 177.300 -0.010 0.000 1.151 261 P CA 1.099 64.195 63.100 -0.006 0.000 0.849 261 P CB 0.255 31.948 31.700 -0.011 0.000 0.787 262 N N -1.797 116.897 118.700 -0.010 0.000 2.321 262 N HA 0.179 4.917 4.740 -0.003 0.000 0.242 262 N C -0.281 175.223 175.510 -0.010 0.000 1.141 262 N CA 0.069 53.110 53.050 -0.015 0.000 0.864 262 N CB 0.254 38.731 38.487 -0.016 0.000 1.100 262 N HN -0.139 nan 8.380 nan 0.000 0.510 263 S N 0.668 116.369 115.700 0.001 0.000 2.730 263 S HA 0.155 4.623 4.470 -0.003 0.000 0.150 263 S C -2.909 171.716 174.600 0.041 0.000 1.139 263 S CA -0.916 57.292 58.200 0.013 0.000 1.155 263 S CB 0.096 63.303 63.200 0.012 0.000 1.682 263 S HN 0.000 nan 8.310 nan 0.000 0.452 264 P HA 0.205 nan 4.420 nan 0.000 0.265 264 P C 0.186 177.614 177.300 0.213 0.000 1.193 264 P CA -0.190 62.986 63.100 0.128 0.000 0.765 264 P CB 0.699 32.482 31.700 0.137 0.000 0.823 265 R N 1.419 122.035 120.500 0.194 0.000 2.189 265 R HA 0.083 4.421 4.340 -0.003 0.000 0.203 265 R C 0.276 176.671 176.300 0.159 0.000 1.012 265 R CA 0.821 57.027 56.100 0.177 0.000 1.015 265 R CB 0.040 30.390 30.300 0.084 0.000 0.938 265 R HN 0.658 nan 8.270 nan 0.000 0.472 266 D N -3.032 117.447 120.400 0.132 0.000 2.851 266 D HA -0.037 4.601 4.640 -0.003 0.000 0.339 266 D C 0.099 176.373 176.300 -0.043 0.000 1.347 266 D CA -0.801 53.033 54.000 -0.277 0.000 0.888 266 D CB -0.275 40.454 40.800 -0.118 0.000 1.431 266 D HN -0.194 nan 8.370 nan 0.000 0.509 267 F N 0.387 120.183 119.950 -0.257 0.000 2.095 267 F HA -0.001 4.524 4.527 -0.003 0.000 0.298 267 F C 1.871 177.829 175.800 0.263 0.000 1.104 267 F CA 1.567 59.635 58.000 0.112 0.000 1.232 267 F CB -0.194 38.836 39.000 0.051 0.000 0.987 267 F HN 0.350 nan 8.300 nan 0.000 0.475 268 I N 0.069 120.835 120.570 0.326 0.000 2.208 268 I HA -0.328 3.840 4.170 -0.003 0.000 0.245 268 I C 2.016 178.240 176.117 0.178 0.000 1.097 268 I CA 1.622 63.073 61.300 0.251 0.000 1.363 268 I CB -0.659 37.472 38.000 0.218 0.000 1.051 268 I HN 0.099 nan 8.210 nan 0.000 0.413 269 D N 0.572 121.066 120.400 0.156 0.000 2.117 269 D HA -0.133 4.505 4.640 -0.003 0.000 0.197 269 D C 2.422 178.803 176.300 0.136 0.000 0.987 269 D CA 1.258 55.335 54.000 0.129 0.000 0.829 269 D CB -0.127 40.748 40.800 0.125 0.000 0.961 269 D HN 0.145 nan 8.370 nan 0.000 0.460 270 S N -0.297 115.508 115.700 0.174 0.000 2.370 270 S HA -0.156 4.312 4.470 -0.003 0.000 0.226 270 S C 1.784 176.504 174.600 0.201 0.000 1.033 270 S CA 0.588 58.891 58.200 0.172 0.000 1.011 270 S CB -0.372 62.928 63.200 0.166 0.000 0.852 270 S HN 0.276 nan 8.310 nan 0.000 0.457 271 F N 1.736 121.686 119.950 0.000 0.000 2.146 271 F HA -0.003 4.522 4.527 -0.003 0.000 0.298 271 F C 1.897 177.606 175.800 -0.151 0.000 1.096 271 F CA 1.032 58.894 58.000 -0.230 0.000 1.275 271 F CB -0.176 38.700 39.000 -0.206 0.000 1.008 271 F HN 0.094 nan 8.300 nan 0.000 0.480 272 L N -0.126 121.218 121.223 0.202 0.000 2.042 272 L HA -0.274 4.064 4.340 -0.003 0.000 0.210 272 L C 2.327 179.213 176.870 0.028 0.000 1.076 272 L CA 1.331 56.246 54.840 0.125 0.000 0.749 272 L CB -0.698 41.419 42.059 0.097 0.000 0.893 272 L HN 0.183 nan 8.230 nan 0.000 0.432 273 I N -0.494 120.077 120.570 0.001 0.000 2.226 273 I HA -0.291 3.877 4.170 -0.003 0.000 0.245 273 I C 2.809 178.854 176.117 -0.120 0.000 1.100 273 I CA 1.029 62.305 61.300 -0.040 0.000 1.374 273 I CB -0.283 37.704 38.000 -0.021 0.000 1.057 273 I HN 0.240 nan 8.210 nan 0.000 0.413 274 R N 1.431 121.784 120.500 -0.245 0.000 2.075 274 R HA -0.115 4.223 4.340 -0.003 0.000 0.232 274 R C 2.180 178.265 176.300 -0.359 0.000 1.126 274 R CA 1.685 57.512 56.100 -0.455 0.000 0.963 274 R CB -0.492 29.196 30.300 -1.019 0.000 0.858 274 R HN 0.194 nan 8.270 nan 0.000 0.435 275 M N 0.293 119.751 119.600 -0.238 0.000 2.073 275 M HA -0.285 4.193 4.480 -0.003 0.000 0.258 275 M C 2.373 178.664 176.300 -0.014 0.000 1.070 275 M CA 2.246 57.530 55.300 -0.026 0.000 1.103 275 M CB -0.358 32.307 32.600 0.107 0.000 1.321 275 M HN 0.270 nan 8.290 nan 0.000 0.405 276 Q N -0.176 119.609 119.800 -0.025 0.000 2.135 276 Q HA -0.212 4.126 4.340 -0.003 0.000 0.204 276 Q C 1.778 177.759 176.000 -0.033 0.000 0.981 276 Q CA 1.495 57.289 55.803 -0.016 0.000 0.856 276 Q CB -0.251 28.478 28.738 -0.016 0.000 0.902 276 Q HN 0.602 nan 8.270 nan 0.000 0.425 277 E N 0.206 120.363 120.200 -0.072 0.000 2.338 277 E HA -0.132 4.216 4.350 -0.003 0.000 0.197 277 E C 1.204 177.768 176.600 -0.060 0.000 1.007 277 E CA 0.549 56.903 56.400 -0.076 0.000 0.849 277 E CB 0.234 29.863 29.700 -0.119 0.000 0.774 277 E HN 0.255 nan 8.360 nan 0.000 0.506 278 E N 0.079 120.250 120.200 -0.048 0.000 2.498 278 E HA 0.009 4.357 4.350 -0.003 0.000 0.203 278 E C 1.048 177.674 176.600 0.042 0.000 1.013 278 E CA 0.016 56.419 56.400 0.004 0.000 0.927 278 E CB 0.427 30.149 29.700 0.037 0.000 1.012 278 E HN 0.315 nan 8.360 nan 0.000 0.482 279 E N 1.517 121.735 120.200 0.030 0.000 2.130 279 E HA -0.194 4.154 4.350 -0.003 0.000 0.196 279 E C 1.717 178.336 176.600 0.031 0.000 0.998 279 E CA 1.158 57.581 56.400 0.038 0.000 0.806 279 E CB 0.099 29.814 29.700 0.025 0.000 0.738 279 E HN 0.081 nan 8.360 nan 0.000 0.459 280 K N 0.945 121.359 120.400 0.022 0.000 2.444 280 K HA -0.019 4.299 4.320 -0.003 0.000 0.193 280 K C 0.047 176.662 176.600 0.025 0.000 1.024 280 K CA 0.209 56.507 56.287 0.018 0.000 1.077 280 K CB -0.061 32.445 32.500 0.010 0.000 0.833 280 K HN -0.084 nan 8.250 nan 0.000 0.517 281 N N 2.779 121.501 118.700 0.037 0.000 2.501 281 N HA 0.161 4.900 4.740 -0.003 0.000 0.245 281 N C -1.829 173.716 175.510 0.057 0.000 0.974 281 N CA -2.207 50.871 53.050 0.046 0.000 0.941 281 N CB 1.614 40.136 38.487 0.057 0.000 1.122 281 N HN -0.148 nan 8.380 nan 0.000 0.507 282 P HA -0.054 nan 4.420 nan 0.000 0.229 282 P C 0.149 177.477 177.300 0.047 0.000 1.160 282 P CA 0.912 64.033 63.100 0.035 0.000 0.777 282 P CB 0.384 32.096 31.700 0.019 0.000 0.814 283 N N -0.469 118.267 118.700 0.061 0.000 2.270 283 N HA 0.006 4.744 4.740 -0.003 0.000 0.198 283 N C 0.158 175.734 175.510 0.110 0.000 1.117 283 N CA -0.083 53.010 53.050 0.071 0.000 0.845 283 N CB 0.279 38.798 38.487 0.054 0.000 0.980 283 N HN -0.020 nan 8.380 nan 0.000 0.486 284 T N 0.237 114.876 114.554 0.142 0.000 2.926 284 T HA 0.010 4.358 4.350 -0.003 0.000 0.307 284 T C 0.934 175.780 174.700 0.244 0.000 1.059 284 T CA 0.207 62.422 62.100 0.191 0.000 1.122 284 T CB 0.846 69.854 68.868 0.234 0.000 0.972 284 T HN 0.105 nan 8.240 nan 0.000 0.545 285 E N 2.859 123.082 120.200 0.037 0.000 2.474 285 E HA 0.083 4.431 4.350 -0.003 0.000 0.195 285 E C -0.391 175.841 176.600 -0.613 0.000 1.039 285 E CA 0.115 56.401 56.400 -0.190 0.000 0.881 285 E CB 0.123 29.614 29.700 -0.349 0.000 0.970 285 E HN 0.603 nan 8.360 nan 0.000 0.486 286 F N 2.143 122.054 119.950 -0.065 0.000 2.406 286 F HA 0.185 4.711 4.527 -0.003 0.000 0.358 286 F C -0.037 175.846 175.800 0.138 0.000 1.161 286 F CA -0.736 57.194 58.000 -0.117 0.000 1.185 286 F CB -0.232 38.566 39.000 -0.336 0.000 1.421 286 F HN -0.127 nan 8.300 nan 0.000 0.576 287 Y N -0.163 120.326 120.300 0.315 0.000 2.655 287 Y HA 0.455 5.003 4.550 -0.003 0.000 0.336 287 Y C 0.405 176.412 175.900 0.178 0.000 1.154 287 Y CA -1.701 56.525 58.100 0.210 0.000 1.055 287 Y CB 0.188 38.717 38.460 0.114 0.000 1.295 287 Y HN 0.097 nan 8.280 nan 0.000 0.465 288 L N 1.607 123.006 121.223 0.292 0.000 2.034 288 L HA -0.220 4.119 4.340 -0.003 0.000 0.217 288 L C 2.279 179.182 176.870 0.056 0.000 1.077 288 L CA 2.401 57.319 54.840 0.130 0.000 0.769 288 L CB -0.565 41.551 42.059 0.095 0.000 0.890 288 L HN 0.910 nan 8.230 nan 0.000 0.435 289 K N -1.129 119.349 120.400 0.129 0.000 2.057 289 K HA -0.180 4.138 4.320 -0.003 0.000 0.207 289 K C 1.922 178.516 176.600 -0.009 0.000 1.049 289 K CA 1.531 57.819 56.287 0.002 0.000 0.931 289 K CB -0.100 32.320 32.500 -0.134 0.000 0.714 289 K HN 0.394 nan 8.250 nan 0.000 0.440 290 N N 1.126 119.776 118.700 -0.083 0.000 2.309 290 N HA -0.148 4.590 4.740 -0.003 0.000 0.182 290 N C 1.683 177.027 175.510 -0.276 0.000 1.018 290 N CA 0.621 53.596 53.050 -0.124 0.000 0.876 290 N CB -0.069 38.214 38.487 -0.339 0.000 0.972 290 N HN 0.259 nan 8.380 nan 0.000 0.434 291 L N 0.329 121.269 121.223 -0.471 0.000 2.005 291 L HA -0.102 4.236 4.340 -0.003 0.000 0.207 291 L C 1.857 178.562 176.870 -0.275 0.000 1.072 291 L CA 1.013 55.337 54.840 -0.859 0.000 0.744 291 L CB -0.264 41.443 42.059 -0.588 0.000 0.895 291 L HN -0.132 nan 8.230 nan 0.000 0.433 292 V N 0.162 120.016 119.914 -0.100 0.000 2.295 292 V HA -0.311 3.807 4.120 -0.003 0.000 0.246 292 V C 2.654 178.818 176.094 0.117 0.000 1.049 292 V CA 1.847 64.160 62.300 0.022 0.000 1.024 292 V CB -0.556 31.274 31.823 0.010 0.000 0.648 292 V HN 0.431 nan 8.190 nan 0.000 0.447 293 M N -0.344 119.344 119.600 0.147 0.000 2.175 293 M HA -0.099 4.379 4.480 -0.003 0.000 0.264 293 M C 2.254 178.803 176.300 0.415 0.000 1.063 293 M CA 1.798 57.323 55.300 0.374 0.000 1.119 293 M CB -1.760 31.125 32.600 0.474 0.000 1.377 293 M HN 0.384 nan 8.290 nan 0.000 0.415 294 T N 0.314 115.000 114.554 0.220 0.000 2.777 294 T HA -0.089 4.260 4.350 -0.003 0.000 0.266 294 T C 1.838 176.623 174.700 0.141 0.000 1.040 294 T CA 1.865 64.083 62.100 0.197 0.000 1.141 294 T CB -0.313 68.699 68.868 0.241 0.000 0.868 294 T HN 0.377 nan 8.240 nan 0.000 0.444 295 T N 2.571 117.207 114.554 0.136 0.000 2.788 295 T HA -0.052 4.296 4.350 -0.003 0.000 0.268 295 T C 1.844 176.658 174.700 0.190 0.000 1.044 295 T CA 0.837 62.987 62.100 0.084 0.000 1.139 295 T CB -0.402 68.577 68.868 0.186 0.000 0.867 295 T HN 0.131 nan 8.240 nan 0.000 0.454 296 L N 1.573 122.997 121.223 0.335 0.000 2.156 296 L HA 0.077 4.415 4.340 -0.003 0.000 0.208 296 L C 1.750 178.922 176.870 0.504 0.000 1.095 296 L CA 1.560 56.711 54.840 0.517 0.000 0.770 296 L CB -1.102 41.288 42.059 0.552 0.000 0.914 296 L HN 0.211 nan 8.230 nan 0.000 0.439 297 N N -0.697 118.218 118.700 0.357 0.000 2.069 297 N HA -0.204 4.534 4.740 -0.003 0.000 0.191 297 N C 1.835 177.384 175.510 0.065 0.000 1.031 297 N CA 1.798 54.924 53.050 0.126 0.000 0.852 297 N CB -0.236 38.243 38.487 -0.014 0.000 1.018 297 N HN 0.353 nan 8.380 nan 0.000 0.423 298 L N -0.436 120.809 121.223 0.038 0.000 2.056 298 L HA -0.113 4.225 4.340 -0.003 0.000 0.207 298 L C 2.143 179.064 176.870 0.086 0.000 1.078 298 L CA 0.771 55.593 54.840 -0.030 0.000 0.749 298 L CB -0.480 41.464 42.059 -0.192 0.000 0.901 298 L HN 0.203 nan 8.230 nan 0.000 0.433 299 F N 0.359 120.311 119.950 0.003 0.000 2.134 299 F HA -0.261 4.264 4.527 -0.003 0.000 0.299 299 F C 2.278 178.178 175.800 0.167 0.000 1.097 299 F CA 1.275 59.310 58.000 0.058 0.000 1.264 299 F CB -0.496 38.597 39.000 0.155 0.000 1.001 299 F HN -0.067 nan 8.300 nan 0.000 0.479 300 F N 0.234 120.175 119.950 -0.015 0.000 2.098 300 F HA -0.054 4.471 4.527 -0.003 0.000 0.294 300 F C 2.390 178.076 175.800 -0.190 0.000 1.107 300 F CA 1.165 59.073 58.000 -0.154 0.000 1.234 300 F CB -0.402 38.645 39.000 0.079 0.000 1.002 300 F HN 0.016 nan 8.300 nan 0.000 0.472 301 A N 0.044 122.955 122.820 0.152 0.000 1.930 301 A HA -0.045 4.273 4.320 -0.003 0.000 0.217 301 A C 2.205 179.762 177.584 -0.045 0.000 1.175 301 A CA 1.398 53.415 52.037 -0.033 0.000 0.627 301 A CB -1.622 17.279 19.000 -0.165 0.000 0.815 301 A HN 0.479 nan 8.150 nan 0.000 0.443 302 G N -1.870 106.913 108.800 -0.028 0.000 2.776 302 G HA2 0.123 4.081 3.960 -0.003 0.000 0.209 302 G HA3 0.123 4.081 3.960 -0.003 0.000 0.209 302 G C 1.169 176.047 174.900 -0.037 0.000 1.145 302 G CA 1.479 46.567 45.100 -0.020 0.000 0.791 302 G HN 0.444 nan 8.290 nan 0.000 0.530 303 T N -0.324 114.167 114.554 -0.105 0.000 3.286 303 T HA 0.089 4.438 4.350 -0.003 0.000 0.237 303 T C 1.989 176.557 174.700 -0.220 0.000 0.969 303 T CA 0.498 62.486 62.100 -0.188 0.000 1.298 303 T CB 0.054 68.698 68.868 -0.373 0.000 1.053 303 T HN 0.134 nan 8.240 nan 0.000 0.402 304 E N 1.367 121.411 120.200 -0.260 0.000 2.153 304 E HA -0.114 4.234 4.350 -0.003 0.000 0.194 304 E C 2.327 178.709 176.600 -0.363 0.000 0.988 304 E CA 1.753 57.923 56.400 -0.383 0.000 0.811 304 E CB -0.359 29.014 29.700 -0.545 0.000 0.746 304 E HN 0.671 nan 8.360 nan 0.000 0.466 305 T N -2.511 111.895 114.554 -0.246 0.000 2.698 305 T HA -0.098 4.250 4.350 -0.003 0.000 0.260 305 T C 2.032 176.697 174.700 -0.058 0.000 1.044 305 T CA 1.329 63.347 62.100 -0.136 0.000 1.149 305 T CB -0.849 67.973 68.868 -0.077 0.000 0.864 305 T HN -0.015 nan 8.240 nan 0.000 0.419 306 V N 1.891 121.791 119.914 -0.024 0.000 2.343 306 V HA -0.169 3.949 4.120 -0.003 0.000 0.247 306 V C 3.115 179.176 176.094 -0.055 0.000 1.051 306 V CA 2.029 64.347 62.300 0.030 0.000 1.036 306 V CB -1.125 30.753 31.823 0.091 0.000 0.654 306 V HN 0.675 nan 8.190 nan 0.000 0.451 307 S N -0.108 115.511 115.700 -0.136 0.000 2.365 307 S HA -0.257 4.211 4.470 -0.003 0.000 0.225 307 S C 2.068 176.551 174.600 -0.195 0.000 1.039 307 S CA 2.566 60.632 58.200 -0.224 0.000 1.033 307 S CB -0.454 62.578 63.200 -0.280 0.000 0.887 307 S HN 0.712 nan 8.310 nan 0.000 0.447 308 T N 1.001 115.479 114.554 -0.126 0.000 2.821 308 T HA -0.045 4.303 4.350 -0.003 0.000 0.267 308 T C 1.914 176.643 174.700 0.049 0.000 1.046 308 T CA 1.725 63.804 62.100 -0.035 0.000 1.139 308 T CB -0.817 68.089 68.868 0.064 0.000 0.871 308 T HN 0.509 nan 8.240 nan 0.000 0.454 309 T N 2.487 117.075 114.554 0.058 0.000 2.777 309 T HA 0.095 4.443 4.350 -0.003 0.000 0.266 309 T C 1.989 176.769 174.700 0.134 0.000 1.040 309 T CA 0.735 62.924 62.100 0.150 0.000 1.141 309 T CB -0.401 68.560 68.868 0.155 0.000 0.868 309 T HN 0.248 nan 8.240 nan 0.000 0.444 310 L N 0.285 121.454 121.223 -0.090 0.000 2.017 310 L HA -0.092 4.246 4.340 -0.003 0.000 0.208 310 L C 3.039 179.578 176.870 -0.551 0.000 1.073 310 L CA 1.335 55.875 54.840 -0.500 0.000 0.745 310 L CB -0.472 41.168 42.059 -0.699 0.000 0.894 310 L HN 0.152 nan 8.230 nan 0.000 0.432 311 R N -0.642 119.687 120.500 -0.286 0.000 2.088 311 R HA -0.240 4.098 4.340 -0.003 0.000 0.232 311 R C 2.316 178.708 176.300 0.154 0.000 1.136 311 R CA 2.167 58.211 56.100 -0.093 0.000 0.926 311 R CB -0.909 29.359 30.300 -0.053 0.000 0.837 311 R HN 0.362 nan 8.270 nan 0.000 0.429 312 Y N 0.489 120.818 120.300 0.050 0.000 2.151 312 Y HA -0.286 4.263 4.550 -0.003 0.000 0.284 312 Y C 2.395 178.345 175.900 0.084 0.000 1.166 312 Y CA 0.822 58.973 58.100 0.084 0.000 1.163 312 Y CB -0.296 38.227 38.460 0.104 0.000 0.974 312 Y HN 0.272 nan 8.280 nan 0.000 0.511 313 G N -0.274 108.721 108.800 0.326 0.000 2.459 313 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.217 313 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.217 313 G C 1.539 176.729 174.900 0.484 0.000 1.183 313 G CA 0.984 46.330 45.100 0.411 0.000 0.776 313 G HN 0.481 nan 8.290 nan 0.000 0.552 314 F N -0.143 119.941 119.950 0.224 0.000 2.095 314 F HA -0.112 4.413 4.527 -0.003 0.000 0.298 314 F C 2.576 178.334 175.800 -0.070 0.000 1.104 314 F CA 0.591 58.644 58.000 0.088 0.000 1.232 314 F CB -0.228 38.673 39.000 -0.165 0.000 0.987 314 F HN 0.135 nan 8.300 nan 0.000 0.475 315 L N 0.555 121.767 121.223 -0.019 0.000 2.131 315 L HA -0.192 4.146 4.340 -0.003 0.000 0.210 315 L C 1.970 178.718 176.870 -0.203 0.000 1.092 315 L CA 1.495 56.113 54.840 -0.371 0.000 0.759 315 L CB -0.654 41.063 42.059 -0.569 0.000 0.903 315 L HN 0.098 nan 8.230 nan 0.000 0.435 316 L N -1.581 119.558 121.223 -0.140 0.000 2.093 316 L HA -0.204 4.134 4.340 -0.003 0.000 0.208 316 L C 2.410 179.126 176.870 -0.257 0.000 1.085 316 L CA 1.052 55.665 54.840 -0.378 0.000 0.755 316 L CB -0.413 41.187 42.059 -0.765 0.000 0.904 316 L HN 0.289 nan 8.230 nan 0.000 0.435 317 L N -1.027 120.183 121.223 -0.023 0.000 2.083 317 L HA -0.216 4.123 4.340 -0.003 0.000 0.209 317 L C 2.565 179.460 176.870 0.043 0.000 1.083 317 L CA 1.255 56.152 54.840 0.096 0.000 0.752 317 L CB -0.361 41.873 42.059 0.291 0.000 0.899 317 L HN 0.303 nan 8.230 nan 0.000 0.433 318 M N -0.671 118.937 119.600 0.014 0.000 2.394 318 M HA -0.158 4.320 4.480 -0.003 0.000 0.264 318 M C 2.180 178.402 176.300 -0.130 0.000 1.073 318 M CA 1.191 56.468 55.300 -0.038 0.000 1.111 318 M CB -0.169 32.379 32.600 -0.087 0.000 1.401 318 M HN 0.054 nan 8.290 nan 0.000 0.448 319 K N 0.500 120.761 120.400 -0.231 0.000 2.044 319 K HA -0.031 4.287 4.320 -0.003 0.000 0.204 319 K C -0.145 176.131 176.600 -0.539 0.000 1.049 319 K CA 1.281 57.319 56.287 -0.415 0.000 0.945 319 K CB 0.064 32.226 32.500 -0.563 0.000 0.724 319 K HN 0.323 nan 8.250 nan 0.000 0.440 320 H N -0.016 119.024 119.070 -0.051 0.000 2.643 320 H HA 0.237 4.791 4.556 -0.003 0.000 0.259 320 H C -2.163 173.187 175.328 0.036 0.000 1.298 320 H CA -2.126 53.937 56.048 0.026 0.000 1.301 320 H CB 1.577 31.411 29.762 0.120 0.000 1.422 320 H HN 0.162 nan 8.280 nan 0.000 0.521 321 P HA -0.198 nan 4.420 nan 0.000 0.216 321 P C 1.559 178.890 177.300 0.051 0.000 1.153 321 P CA 1.014 64.136 63.100 0.037 0.000 0.848 321 P CB 0.496 32.206 31.700 0.017 0.000 0.787 322 E N -0.252 119.994 120.200 0.077 0.000 2.209 322 E HA -0.152 4.196 4.350 -0.003 0.000 0.196 322 E C 1.548 178.189 176.600 0.069 0.000 0.993 322 E CA 1.021 57.455 56.400 0.058 0.000 0.819 322 E CB -0.240 29.497 29.700 0.062 0.000 0.745 322 E HN -0.003 nan 8.360 nan 0.000 0.477 323 V N 0.783 120.786 119.914 0.148 0.000 2.379 323 V HA -0.176 3.942 4.120 -0.003 0.000 0.243 323 V C 2.369 178.556 176.094 0.155 0.000 1.035 323 V CA 1.878 64.322 62.300 0.239 0.000 1.035 323 V CB -0.547 31.485 31.823 0.348 0.000 0.673 323 V HN 0.352 nan 8.190 nan 0.000 0.457 324 E N 0.852 121.077 120.200 0.042 0.000 2.097 324 E HA -0.287 4.061 4.350 -0.003 0.000 0.196 324 E C 2.155 178.558 176.600 -0.329 0.000 1.000 324 E CA 1.716 58.009 56.400 -0.178 0.000 0.804 324 E CB -0.214 29.349 29.700 -0.228 0.000 0.740 324 E HN 0.552 nan 8.360 nan 0.000 0.454 325 A N 1.380 124.125 122.820 -0.126 0.000 1.858 325 A HA -0.212 4.106 4.320 -0.003 0.000 0.216 325 A C 2.061 179.634 177.584 -0.018 0.000 1.190 325 A CA 1.874 53.892 52.037 -0.032 0.000 0.617 325 A CB -0.443 18.564 19.000 0.012 0.000 0.827 325 A HN 0.210 nan 8.150 nan 0.000 0.443 326 K N -0.348 120.016 120.400 -0.059 0.000 2.152 326 K HA -0.082 4.236 4.320 -0.003 0.000 0.206 326 K C 1.818 178.417 176.600 -0.002 0.000 1.048 326 K CA 1.367 57.561 56.287 -0.155 0.000 0.933 326 K CB -0.379 31.780 32.500 -0.569 0.000 0.721 326 K HN 0.339 nan 8.250 nan 0.000 0.447 327 V N 0.792 120.767 119.914 0.102 0.000 2.307 327 V HA -0.234 3.884 4.120 -0.003 0.000 0.245 327 V C 1.900 178.072 176.094 0.130 0.000 1.045 327 V CA 1.679 64.075 62.300 0.160 0.000 1.024 327 V CB -0.644 31.243 31.823 0.107 0.000 0.651 327 V HN 0.362 nan 8.190 nan 0.000 0.449 328 H N -0.564 118.534 119.070 0.046 0.000 2.353 328 H HA -0.203 4.351 4.556 -0.003 0.000 0.298 328 H C 2.517 177.854 175.328 0.016 0.000 1.103 328 H CA 1.492 57.546 56.048 0.010 0.000 1.293 328 H CB 0.158 29.905 29.762 -0.025 0.000 1.372 328 H HN 0.357 nan 8.280 nan 0.000 0.501 329 E N 1.351 121.633 120.200 0.138 0.000 2.005 329 E HA -0.237 4.111 4.350 -0.003 0.000 0.198 329 E C 2.142 178.783 176.600 0.068 0.000 1.010 329 E CA 1.491 57.931 56.400 0.067 0.000 0.825 329 E CB -0.201 29.506 29.700 0.011 0.000 0.769 329 E HN 0.552 nan 8.360 nan 0.000 0.456 330 E N -0.012 120.237 120.200 0.080 0.000 2.118 330 E HA -0.181 4.168 4.350 -0.003 0.000 0.195 330 E C 2.409 179.074 176.600 0.108 0.000 0.992 330 E CA 1.193 57.651 56.400 0.097 0.000 0.804 330 E CB -0.140 29.643 29.700 0.139 0.000 0.741 330 E HN 0.310 nan 8.360 nan 0.000 0.458 331 I N 1.289 121.933 120.570 0.124 0.000 2.133 331 I HA -0.271 3.897 4.170 -0.003 0.000 0.238 331 I C 1.975 178.139 176.117 0.079 0.000 1.074 331 I CA 1.277 62.645 61.300 0.114 0.000 1.342 331 I CB -0.338 37.739 38.000 0.128 0.000 1.053 331 I HN 0.105 nan 8.210 nan 0.000 0.404 332 D N 0.505 120.943 120.400 0.064 0.000 2.123 332 D HA -0.232 4.406 4.640 -0.003 0.000 0.196 332 D C 2.137 178.457 176.300 0.033 0.000 0.992 332 D CA 1.280 55.301 54.000 0.034 0.000 0.833 332 D CB -0.364 40.447 40.800 0.018 0.000 0.954 332 D HN 0.323 nan 8.370 nan 0.000 0.455 333 R N 0.704 121.227 120.500 0.040 0.000 2.066 333 R HA -0.081 4.257 4.340 -0.003 0.000 0.232 333 R C 2.081 178.404 176.300 0.038 0.000 1.131 333 R CA 1.125 57.245 56.100 0.033 0.000 0.955 333 R CB -0.089 30.230 30.300 0.032 0.000 0.851 333 R HN 0.020 nan 8.270 nan 0.000 0.432 334 V N 0.417 120.363 119.914 0.054 0.000 2.379 334 V HA -0.081 4.037 4.120 -0.003 0.000 0.243 334 V C 2.224 178.354 176.094 0.059 0.000 1.035 334 V CA 1.456 63.791 62.300 0.058 0.000 1.035 334 V CB -0.186 31.684 31.823 0.079 0.000 0.673 334 V HN 0.308 nan 8.190 nan 0.000 0.457 335 I N -0.680 119.929 120.570 0.066 0.000 2.867 335 I HA 0.386 4.554 4.170 -0.003 0.000 0.265 335 I C 1.362 177.503 176.117 0.039 0.000 1.162 335 I CA 0.949 62.285 61.300 0.059 0.000 1.471 335 I CB -0.163 37.878 38.000 0.068 0.000 1.123 335 I HN 0.508 nan 8.210 nan 0.000 0.440 336 G N 1.475 110.295 108.800 0.033 0.000 2.660 336 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.215 336 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.215 336 G C 0.140 175.045 174.900 0.009 0.000 1.345 336 G CA -0.264 44.847 45.100 0.018 0.000 0.877 336 G HN 0.213 nan 8.290 nan 0.000 0.549 337 K N 0.353 120.751 120.400 -0.002 0.000 2.374 337 K HA 0.172 4.490 4.320 -0.003 0.000 0.202 337 K C 1.135 177.728 176.600 -0.012 0.000 1.040 337 K CA -0.241 56.037 56.287 -0.015 0.000 1.085 337 K CB 0.245 32.727 32.500 -0.030 0.000 0.873 337 K HN 0.346 nan 8.250 nan 0.000 0.539 338 N N 1.357 120.057 118.700 -0.000 0.000 2.107 338 N HA 0.008 4.746 4.740 -0.003 0.000 0.230 338 N C 0.191 175.706 175.510 0.010 0.000 1.139 338 N CA -0.008 53.044 53.050 0.003 0.000 1.110 338 N CB -0.303 38.187 38.487 0.005 0.000 1.474 338 N HN 0.039 nan 8.380 nan 0.000 0.525 339 R N 3.147 123.656 120.500 0.015 0.000 2.644 339 R HA -0.110 4.228 4.340 -0.003 0.000 0.265 339 R C -0.498 175.815 176.300 0.023 0.000 0.985 339 R CA 0.373 56.485 56.100 0.020 0.000 1.097 339 R CB -0.505 29.809 30.300 0.024 0.000 0.931 339 R HN 0.389 nan 8.270 nan 0.000 0.419 340 Q N 3.269 123.082 119.800 0.022 0.000 2.352 340 Q HA 0.298 4.636 4.340 -0.003 0.000 0.260 340 Q C -2.118 173.901 176.000 0.031 0.000 0.976 340 Q CA -1.820 53.996 55.803 0.021 0.000 0.881 340 Q CB -0.118 28.627 28.738 0.012 0.000 1.235 340 Q HN 0.441 nan 8.270 nan 0.000 0.419 341 P HA -0.058 nan 4.420 nan 0.000 0.267 341 P C -0.955 176.389 177.300 0.073 0.000 1.205 341 P CA 0.216 63.337 63.100 0.034 0.000 0.765 341 P CB 0.415 32.085 31.700 -0.050 0.000 0.828 342 K N 2.244 122.732 120.400 0.147 0.000 2.211 342 K HA 0.390 4.708 4.320 -0.003 0.000 0.237 342 K C 0.234 177.065 176.600 0.385 0.000 1.002 342 K CA -0.644 55.760 56.287 0.195 0.000 0.885 342 K CB 0.482 33.067 32.500 0.142 0.000 1.136 342 K HN 0.058 nan 8.250 nan 0.000 0.448 343 F N 1.181 121.244 119.950 0.189 0.000 2.186 343 F HA -0.077 4.448 4.527 -0.003 0.000 0.299 343 F C 2.134 178.002 175.800 0.113 0.000 1.090 343 F CA 1.447 59.594 58.000 0.245 0.000 1.307 343 F CB -0.186 38.888 39.000 0.124 0.000 1.019 343 F HN 0.906 nan 8.300 nan 0.000 0.489 344 E N -0.034 120.179 120.200 0.022 0.000 2.204 344 E HA -0.233 4.115 4.350 -0.003 0.000 0.195 344 E C 1.444 177.971 176.600 -0.122 0.000 0.990 344 E CA 1.400 57.721 56.400 -0.131 0.000 0.821 344 E CB -0.202 29.479 29.700 -0.031 0.000 0.750 344 E HN 0.330 nan 8.360 nan 0.000 0.477 345 D N 0.546 120.971 120.400 0.042 0.000 2.315 345 D HA -0.219 4.419 4.640 -0.003 0.000 0.211 345 D C 1.966 178.263 176.300 -0.006 0.000 0.977 345 D CA 1.208 55.266 54.000 0.097 0.000 0.894 345 D CB -0.370 40.587 40.800 0.262 0.000 0.910 345 D HN 0.472 nan 8.370 nan 0.000 0.490 346 R N 0.834 121.117 120.500 -0.363 0.000 2.148 346 R HA 0.057 4.396 4.340 -0.003 0.000 0.227 346 R C 2.052 178.106 176.300 -0.411 0.000 1.103 346 R CA 1.320 56.989 56.100 -0.718 0.000 0.983 346 R CB -0.423 28.982 30.300 -1.492 0.000 0.874 346 R HN 0.045 nan 8.270 nan 0.000 0.451 347 A N 1.636 124.257 122.820 -0.332 0.000 2.024 347 A HA -0.120 4.198 4.320 -0.003 0.000 0.220 347 A C 1.494 179.004 177.584 -0.124 0.000 1.164 347 A CA 1.442 53.346 52.037 -0.222 0.000 0.643 347 A CB -0.163 18.732 19.000 -0.176 0.000 0.806 347 A HN 0.445 nan 8.150 nan 0.000 0.451 348 K N -1.426 118.923 120.400 -0.085 0.000 2.373 348 K HA 0.362 4.680 4.320 -0.003 0.000 0.202 348 K C -0.345 176.266 176.600 0.018 0.000 1.025 348 K CA 0.057 56.331 56.287 -0.020 0.000 1.115 348 K CB 0.497 32.999 32.500 0.003 0.000 0.858 348 K HN 0.416 nan 8.250 nan 0.000 0.525 349 M N 1.925 121.529 119.600 0.006 0.000 2.389 349 M HA 0.166 4.645 4.480 -0.003 0.000 0.206 349 M C -2.113 174.225 176.300 0.064 0.000 0.976 349 M CA -1.611 53.738 55.300 0.082 0.000 0.648 349 M CB 1.323 34.034 32.600 0.186 0.000 1.474 349 M HN -0.172 nan 8.290 nan 0.000 0.398 350 P HA -0.206 nan 4.420 nan 0.000 0.216 350 P C 1.193 178.591 177.300 0.163 0.000 1.153 350 P CA 1.556 64.727 63.100 0.118 0.000 0.848 350 P CB 0.119 31.899 31.700 0.133 0.000 0.787 351 Y N 1.285 121.631 120.300 0.077 0.000 2.242 351 Y HA -0.123 4.425 4.550 -0.003 0.000 0.291 351 Y C 2.376 178.326 175.900 0.084 0.000 1.137 351 Y CA 2.085 60.227 58.100 0.070 0.000 1.181 351 Y CB -0.974 37.514 38.460 0.047 0.000 0.989 351 Y HN -0.089 nan 8.280 nan 0.000 0.527 352 T N 0.022 114.672 114.554 0.161 0.000 2.737 352 T HA -0.143 4.205 4.350 -0.003 0.000 0.265 352 T C 1.701 176.435 174.700 0.057 0.000 1.038 352 T CA 1.413 63.589 62.100 0.127 0.000 1.144 352 T CB -0.159 68.866 68.868 0.261 0.000 0.866 352 T HN 0.275 nan 8.240 nan 0.000 0.434 353 E N 1.201 121.430 120.200 0.048 0.000 2.085 353 E HA -0.095 4.253 4.350 -0.003 0.000 0.194 353 E C 2.499 179.113 176.600 0.024 0.000 0.994 353 E CA 1.225 57.603 56.400 -0.036 0.000 0.801 353 E CB -0.388 29.136 29.700 -0.294 0.000 0.743 353 E HN 0.488 nan 8.360 nan 0.000 0.453 354 A N 0.671 123.521 122.820 0.049 0.000 1.930 354 A HA -0.114 4.204 4.320 -0.003 0.000 0.217 354 A C 2.594 180.089 177.584 -0.148 0.000 1.175 354 A CA 1.237 53.285 52.037 0.018 0.000 0.627 354 A CB -0.574 18.398 19.000 -0.047 0.000 0.815 354 A HN 0.139 nan 8.150 nan 0.000 0.443 355 V N 0.322 120.075 119.914 -0.268 0.000 2.343 355 V HA -0.272 3.846 4.120 -0.003 0.000 0.247 355 V C 2.411 178.425 176.094 -0.132 0.000 1.051 355 V CA 2.062 64.219 62.300 -0.239 0.000 1.036 355 V CB -0.619 31.078 31.823 -0.210 0.000 0.654 355 V HN 0.580 nan 8.190 nan 0.000 0.451 356 I N -0.813 119.665 120.570 -0.154 0.000 2.202 356 I HA -0.240 3.928 4.170 -0.003 0.000 0.242 356 I C 2.487 178.522 176.117 -0.137 0.000 1.091 356 I CA 1.641 62.809 61.300 -0.220 0.000 1.368 356 I CB -0.594 37.324 38.000 -0.136 0.000 1.058 356 I HN 0.336 nan 8.210 nan 0.000 0.410 357 H N 0.263 119.125 119.070 -0.346 0.000 2.352 357 H HA -0.220 4.335 4.556 -0.003 0.000 0.299 357 H C 2.079 177.119 175.328 -0.480 0.000 1.097 357 H CA 1.701 57.342 56.048 -0.679 0.000 1.311 357 H CB -0.131 28.672 29.762 -1.598 0.000 1.377 357 H HN 0.243 nan 8.280 nan 0.000 0.504 358 E N 0.401 120.497 120.200 -0.174 0.000 2.274 358 E HA -0.057 4.291 4.350 -0.003 0.000 0.194 358 E C 1.890 178.647 176.600 0.261 0.000 0.996 358 E CA 0.575 57.057 56.400 0.137 0.000 0.840 358 E CB -0.266 29.383 29.700 -0.086 0.000 0.772 358 E HN 0.514 nan 8.360 nan 0.000 0.491 359 I N 0.199 120.896 120.570 0.212 0.000 2.353 359 I HA -0.218 3.950 4.170 -0.003 0.000 0.248 359 I C 2.276 178.477 176.117 0.141 0.000 1.119 359 I CA 0.904 62.335 61.300 0.218 0.000 1.417 359 I CB -0.166 37.899 38.000 0.108 0.000 1.078 359 I HN 0.190 nan 8.210 nan 0.000 0.421 360 Q N 0.135 120.001 119.800 0.110 0.000 2.137 360 Q HA -0.161 4.177 4.340 -0.003 0.000 0.198 360 Q C 2.326 178.354 176.000 0.047 0.000 0.960 360 Q CA 0.938 56.775 55.803 0.056 0.000 0.847 360 Q CB -0.065 28.703 28.738 0.050 0.000 0.915 360 Q HN 0.399 nan 8.270 nan 0.000 0.448 361 R N 0.032 120.642 120.500 0.183 0.000 2.075 361 R HA -0.122 4.216 4.340 -0.003 0.000 0.232 361 R C 1.973 178.296 176.300 0.039 0.000 1.126 361 R CA 1.105 57.278 56.100 0.122 0.000 0.963 361 R CB -0.178 30.266 30.300 0.240 0.000 0.858 361 R HN 0.209 nan 8.270 nan 0.000 0.435 362 F N 0.487 120.429 119.950 -0.012 0.000 2.293 362 F HA 0.115 4.640 4.527 -0.003 0.000 0.297 362 F C 1.932 177.627 175.800 -0.175 0.000 1.089 362 F CA 1.349 59.319 58.000 -0.050 0.000 1.377 362 F CB -0.269 38.788 39.000 0.094 0.000 1.051 362 F HN 0.092 nan 8.300 nan 0.000 0.511 363 G N -0.491 108.318 108.800 0.016 0.000 2.422 363 G HA2 -0.324 3.634 3.960 -0.003 0.000 0.218 363 G HA3 -0.324 3.634 3.960 -0.003 0.000 0.218 363 G C 0.343 175.215 174.900 -0.046 0.000 1.146 363 G CA 0.905 45.958 45.100 -0.079 0.000 0.769 363 G HN 0.437 nan 8.290 nan 0.000 0.547 364 D N -1.106 119.222 120.400 -0.121 0.000 2.704 364 D HA -0.229 4.409 4.640 -0.003 0.000 0.232 364 D C 1.385 177.595 176.300 -0.150 0.000 1.183 364 D CA 0.705 54.595 54.000 -0.183 0.000 0.647 364 D CB -1.292 39.345 40.800 -0.271 0.000 1.013 364 D HN 0.365 nan 8.370 nan 0.000 0.415 365 M N -0.191 119.344 119.600 -0.108 0.000 2.113 365 M HA -0.213 4.265 4.480 -0.003 0.000 0.255 365 M C 0.577 176.769 176.300 -0.180 0.000 1.073 365 M CA 1.631 56.891 55.300 -0.068 0.000 1.091 365 M CB 0.019 32.595 32.600 -0.041 0.000 1.309 365 M HN 0.338 nan 8.290 nan 0.000 0.407 366 L N 0.532 121.595 121.223 -0.266 0.000 2.387 366 L HA 0.233 4.571 4.340 -0.003 0.000 0.259 366 L C -1.701 174.988 176.870 -0.302 0.000 1.050 366 L CA -1.501 53.092 54.840 -0.412 0.000 0.922 366 L CB 0.586 42.353 42.059 -0.486 0.000 1.280 366 L HN 0.093 nan 8.230 nan 0.000 0.449 367 P HA -0.145 nan 4.420 nan 0.000 0.217 367 P C 0.989 178.286 177.300 -0.005 0.000 1.150 367 P CA 1.428 64.432 63.100 -0.160 0.000 0.832 367 P CB 0.363 31.925 31.700 -0.230 0.000 0.787 368 M N -0.919 118.634 119.600 -0.078 0.000 2.475 368 M HA 0.300 4.778 4.480 -0.003 0.000 0.261 368 M C 0.924 177.106 176.300 -0.196 0.000 1.177 368 M CA 0.071 55.309 55.300 -0.104 0.000 0.979 368 M CB 0.139 32.618 32.600 -0.201 0.000 1.482 368 M HN -0.073 nan 8.290 nan 0.000 0.484 369 G N 2.222 110.916 108.800 -0.178 0.000 2.749 369 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.242 369 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.242 369 G C -1.059 173.782 174.900 -0.098 0.000 1.364 369 G CA -0.741 44.277 45.100 -0.137 0.000 0.888 369 G HN 0.349 nan 8.290 nan 0.000 0.566 370 L N 0.863 122.099 121.223 0.022 0.000 2.265 370 L HA 0.758 5.096 4.340 -0.003 0.000 0.289 370 L C 1.119 178.040 176.870 0.085 0.000 1.033 370 L CA 0.388 55.312 54.840 0.139 0.000 0.814 370 L CB 0.645 42.727 42.059 0.038 0.000 1.203 370 L HN 1.888 nan 8.230 nan 0.000 0.423 371 A N 4.918 127.796 122.820 0.096 0.000 2.587 371 A HA 0.134 4.452 4.320 -0.003 0.000 0.235 371 A C 0.044 177.693 177.584 0.109 0.000 1.044 371 A CA 0.519 52.678 52.037 0.205 0.000 0.754 371 A CB -0.352 18.851 19.000 0.339 0.000 0.968 371 A HN 0.875 nan 8.150 nan 0.000 0.509 372 H N 0.818 119.980 119.070 0.154 0.000 2.771 372 H HA 0.781 5.335 4.556 -0.003 0.000 0.344 372 H C 0.114 175.489 175.328 0.078 0.000 1.260 372 H CA -0.396 55.712 56.048 0.101 0.000 1.276 372 H CB 1.746 31.575 29.762 0.113 0.000 1.881 372 H HN 0.865 nan 8.280 nan 0.000 0.615 373 R N -0.749 119.849 120.500 0.163 0.000 2.634 373 R HA 0.368 4.706 4.340 -0.003 0.000 0.263 373 R C -1.740 174.531 176.300 -0.050 0.000 1.060 373 R CA -0.875 55.243 56.100 0.029 0.000 0.898 373 R CB 0.858 31.157 30.300 -0.001 0.000 1.253 373 R HN 0.337 nan 8.270 nan 0.000 0.461 374 V N 1.375 121.177 119.914 -0.187 0.000 2.432 374 V HA 0.285 4.403 4.120 -0.003 0.000 0.271 374 V C 0.257 176.237 176.094 -0.189 0.000 1.046 374 V CA -0.562 61.554 62.300 -0.307 0.000 0.945 374 V CB 0.848 32.343 31.823 -0.547 0.000 0.992 374 V HN 0.959 nan 8.190 nan 0.000 0.471 375 N N 3.157 121.775 118.700 -0.137 0.000 2.571 375 N HA 0.020 4.758 4.740 -0.003 0.000 0.189 375 N C 0.151 175.608 175.510 -0.088 0.000 1.154 375 N CA 0.429 53.427 53.050 -0.087 0.000 0.907 375 N CB -0.352 38.105 38.487 -0.050 0.000 0.977 375 N HN 0.964 nan 8.380 nan 0.000 0.449 376 K N -2.199 118.124 120.400 -0.127 0.000 2.642 376 K HA 0.223 4.541 4.320 -0.003 0.000 0.290 376 K C -1.962 174.544 176.600 -0.157 0.000 1.006 376 K CA -0.915 55.312 56.287 -0.101 0.000 0.869 376 K CB 0.697 33.162 32.500 -0.058 0.000 1.499 376 K HN -0.289 nan 8.250 nan 0.000 0.403 377 D N 1.818 122.147 120.400 -0.119 0.000 2.586 377 D HA 0.046 4.684 4.640 -0.003 0.000 0.234 377 D C -0.555 175.602 176.300 -0.239 0.000 1.132 377 D CA 0.900 54.768 54.000 -0.219 0.000 0.860 377 D CB 0.676 41.507 40.800 0.053 0.000 1.159 377 D HN 0.426 nan 8.370 nan 0.000 0.490 378 T N 2.170 116.468 114.554 -0.427 0.000 2.886 378 T HA 0.321 4.669 4.350 -0.003 0.000 0.292 378 T C -0.036 174.565 174.700 -0.165 0.000 1.012 378 T CA -0.818 61.127 62.100 -0.258 0.000 0.982 378 T CB 2.127 70.768 68.868 -0.379 0.000 1.018 378 T HN 0.068 nan 8.240 nan 0.000 0.451 379 K N 2.224 122.668 120.400 0.072 0.000 2.213 379 K HA 0.657 4.975 4.320 -0.003 0.000 0.270 379 K C -1.736 175.047 176.600 0.305 0.000 1.002 379 K CA -0.789 55.624 56.287 0.210 0.000 0.868 379 K CB 0.451 33.079 32.500 0.212 0.000 1.093 379 K HN 0.470 nan 8.250 nan 0.000 0.454 380 F N 5.507 125.559 119.950 0.169 0.000 2.539 380 F HA 0.453 4.978 4.527 -0.003 0.000 0.328 380 F C 0.203 176.091 175.800 0.147 0.000 1.148 380 F CA -0.316 57.811 58.000 0.212 0.000 0.940 380 F CB 0.717 39.925 39.000 0.347 0.000 1.194 380 F HN 0.768 nan 8.300 nan 0.000 0.438 381 R N 1.777 122.032 120.500 -0.408 0.000 3.815 381 R HA -0.269 4.069 4.340 -0.003 0.000 0.470 381 R C 0.005 176.105 176.300 -0.334 0.000 0.241 381 R CA 1.790 57.623 56.100 -0.445 0.000 1.481 381 R CB -0.978 28.960 30.300 -0.603 0.000 0.988 381 R HN 0.737 nan 8.270 nan 0.000 0.570 382 D N 1.309 121.357 120.400 -0.586 0.000 2.352 382 D HA 0.181 4.819 4.640 -0.003 0.000 0.236 382 D C 0.160 176.163 176.300 -0.494 0.000 1.148 382 D CA 0.505 54.204 54.000 -0.502 0.000 0.844 382 D CB -0.383 40.124 40.800 -0.489 0.000 0.933 382 D HN 0.174 nan 8.370 nan 0.000 0.507 383 F N -0.183 119.842 119.950 0.125 0.000 2.575 383 F HA 0.534 5.059 4.527 -0.003 0.000 0.330 383 F C -0.402 175.555 175.800 0.262 0.000 1.056 383 F CA -1.765 56.349 58.000 0.191 0.000 0.964 383 F CB 1.586 40.708 39.000 0.204 0.000 1.258 383 F HN -0.245 nan 8.300 nan 0.000 0.484 384 F N 3.251 123.384 119.950 0.304 0.000 2.477 384 F HA 0.614 5.139 4.527 -0.003 0.000 0.335 384 F C -1.566 174.313 175.800 0.132 0.000 1.130 384 F CA -0.817 57.289 58.000 0.177 0.000 0.948 384 F CB 0.964 40.034 39.000 0.116 0.000 1.154 384 F HN 0.192 nan 8.300 nan 0.000 0.439 385 L N 8.571 129.475 121.223 -0.532 0.000 2.295 385 L HA 0.449 4.787 4.340 -0.003 0.000 0.281 385 L C -2.373 174.079 176.870 -0.697 0.000 1.018 385 L CA -2.084 52.493 54.840 -0.437 0.000 0.841 385 L CB 1.104 42.992 42.059 -0.285 0.000 1.218 385 L HN 0.405 nan 8.230 nan 0.000 0.424 386 P HA -0.027 nan 4.420 nan 0.000 0.269 386 P C -0.327 176.843 177.300 -0.216 0.000 1.209 386 P CA -0.337 62.585 63.100 -0.296 0.000 0.776 386 P CB 0.850 32.559 31.700 0.015 0.000 0.876 387 K N 1.464 121.771 120.400 -0.154 0.000 2.569 387 K HA -0.011 4.307 4.320 -0.003 0.000 0.280 387 K C 1.226 177.769 176.600 -0.095 0.000 0.984 387 K CA 1.371 57.587 56.287 -0.119 0.000 1.064 387 K CB -0.797 31.667 32.500 -0.060 0.000 0.866 387 K HN 0.815 nan 8.250 nan 0.000 0.492 388 G N 2.423 111.163 108.800 -0.101 0.000 2.217 388 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.246 388 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.246 388 G C 0.145 174.993 174.900 -0.086 0.000 0.990 388 G CA 0.336 45.392 45.100 -0.074 0.000 0.627 388 G HN 0.713 nan 8.290 nan 0.000 0.522 389 T N 2.299 116.780 114.554 -0.122 0.000 2.908 389 T HA 0.384 4.732 4.350 -0.003 0.000 0.301 389 T C 0.461 175.088 174.700 -0.121 0.000 1.019 389 T CA 0.483 62.503 62.100 -0.133 0.000 1.152 389 T CB 1.119 69.886 68.868 -0.169 0.000 0.966 389 T HN 0.458 nan 8.240 nan 0.000 0.540 390 E N 1.310 121.438 120.200 -0.121 0.000 2.349 390 E HA 0.471 4.819 4.350 -0.003 0.000 0.265 390 E C -0.673 175.859 176.600 -0.112 0.000 1.064 390 E CA -0.644 55.707 56.400 -0.082 0.000 0.886 390 E CB 1.145 30.782 29.700 -0.105 0.000 1.036 390 E HN 0.264 nan 8.360 nan 0.000 0.413 391 V N 3.034 122.967 119.914 0.032 0.000 2.760 391 V HA 0.312 4.430 4.120 -0.003 0.000 0.309 391 V C -0.893 175.394 176.094 0.322 0.000 1.077 391 V CA -0.696 61.639 62.300 0.057 0.000 0.910 391 V CB 1.419 33.321 31.823 0.130 0.000 1.008 391 V HN 0.592 nan 8.190 nan 0.000 0.424 392 F N 4.640 124.544 119.950 -0.078 0.000 2.332 392 F HA 0.402 4.927 4.527 -0.003 0.000 0.368 392 F C -2.332 173.409 175.800 -0.099 0.000 1.110 392 F CA -2.335 55.633 58.000 -0.055 0.000 1.087 392 F CB 2.374 41.324 39.000 -0.082 0.000 1.235 392 F HN 0.280 nan 8.300 nan 0.000 0.470 393 P HA 0.090 nan 4.420 nan 0.000 0.280 393 P C -0.259 177.028 177.300 -0.022 0.000 1.386 393 P CA -0.307 62.761 63.100 -0.053 0.000 0.899 393 P CB 0.463 32.095 31.700 -0.114 0.000 1.098 394 M N 4.250 123.846 119.600 -0.008 0.000 3.268 394 M HA 0.050 4.528 4.480 -0.003 0.000 0.249 394 M C 1.176 177.502 176.300 0.044 0.000 1.527 394 M CA 0.263 55.587 55.300 0.040 0.000 1.645 394 M CB -0.851 31.780 32.600 0.051 0.000 1.193 394 M HN 0.360 nan 8.290 nan 0.000 0.534 395 L N 0.862 122.080 121.223 -0.007 0.000 2.081 395 L HA -0.171 4.168 4.340 -0.003 0.000 0.212 395 L C 2.330 179.188 176.870 -0.020 0.000 1.080 395 L CA 1.513 56.327 54.840 -0.044 0.000 0.754 395 L CB -0.933 41.065 42.059 -0.102 0.000 0.893 395 L HN 0.727 nan 8.230 nan 0.000 0.433 396 G N -0.355 108.455 108.800 0.016 0.000 2.470 396 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.220 396 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.220 396 G C 1.730 176.696 174.900 0.110 0.000 1.121 396 G CA 0.950 46.017 45.100 -0.055 0.000 0.766 396 G HN 0.532 nan 8.290 nan 0.000 0.553 397 S N -0.436 115.425 115.700 0.269 0.000 2.527 397 S HA 0.118 4.586 4.470 -0.003 0.000 0.222 397 S C 2.036 176.726 174.600 0.150 0.000 0.985 397 S CA 0.806 59.160 58.200 0.257 0.000 0.921 397 S CB 0.295 63.609 63.200 0.190 0.000 0.772 397 S HN 0.076 nan 8.310 nan 0.000 0.529 398 V N 1.892 121.861 119.914 0.093 0.000 2.374 398 V HA 0.119 4.237 4.120 -0.003 0.000 0.241 398 V C 2.362 178.545 176.094 0.147 0.000 1.034 398 V CA 1.099 63.443 62.300 0.072 0.000 1.037 398 V CB -0.752 31.072 31.823 0.003 0.000 0.682 398 V HN 0.435 nan 8.190 nan 0.000 0.463 399 L N -0.200 121.072 121.223 0.081 0.000 2.349 399 L HA -0.111 4.227 4.340 -0.003 0.000 0.220 399 L C 2.071 178.906 176.870 -0.058 0.000 1.130 399 L CA 1.405 56.266 54.840 0.035 0.000 0.791 399 L CB -0.408 41.594 42.059 -0.095 0.000 0.918 399 L HN 0.263 nan 8.230 nan 0.000 0.444 400 R N -1.008 119.536 120.500 0.073 0.000 2.596 400 R HA 0.091 4.429 4.340 -0.003 0.000 0.369 400 R C -0.099 176.339 176.300 0.230 0.000 1.042 400 R CA -0.261 55.895 56.100 0.092 0.000 1.120 400 R CB 0.335 30.654 30.300 0.033 0.000 1.353 400 R HN 0.058 nan 8.270 nan 0.000 0.564 401 D N 2.760 123.347 120.400 0.312 0.000 2.363 401 D HA 0.001 4.639 4.640 -0.003 0.000 0.263 401 D C -1.237 175.256 176.300 0.322 0.000 1.258 401 D CA -1.646 52.532 54.000 0.296 0.000 0.907 401 D CB 1.387 42.355 40.800 0.278 0.000 1.107 401 D HN 0.051 nan 8.370 nan 0.000 0.495 402 P HA -0.147 nan 4.420 nan 0.000 0.222 402 P C 0.710 178.051 177.300 0.069 0.000 1.142 402 P CA 0.788 63.973 63.100 0.142 0.000 0.788 402 P CB 0.276 32.040 31.700 0.106 0.000 0.767 403 R N -2.108 118.443 120.500 0.084 0.000 2.317 403 R HA 0.197 4.536 4.340 -0.003 0.000 0.208 403 R C 0.948 176.949 176.300 -0.497 0.000 0.914 403 R CA 0.353 56.361 56.100 -0.155 0.000 1.060 403 R CB -0.120 30.090 30.300 -0.150 0.000 1.015 403 R HN 0.250 nan 8.270 nan 0.000 0.498 404 F N -1.475 118.288 119.950 -0.312 0.000 2.831 404 F HA 0.307 4.833 4.527 -0.003 0.000 0.334 404 F C -0.159 174.978 175.800 -1.106 0.000 1.071 404 F CA -0.363 57.222 58.000 -0.692 0.000 1.172 404 F CB 0.833 39.337 39.000 -0.827 0.000 1.054 404 F HN -0.235 nan 8.300 nan 0.000 0.572 405 F N -0.291 119.622 119.950 -0.062 0.000 2.585 405 F HA 0.245 4.770 4.527 -0.003 0.000 0.319 405 F C 1.268 177.022 175.800 -0.077 0.000 1.165 405 F CA -0.936 56.909 58.000 -0.258 0.000 0.949 405 F CB 1.470 40.107 39.000 -0.604 0.000 1.218 405 F HN -0.152 nan 8.300 nan 0.000 0.453 406 S N 1.655 117.470 115.700 0.191 0.000 2.369 406 S HA -0.195 4.273 4.470 -0.003 0.000 0.225 406 S C 0.565 175.285 174.600 0.199 0.000 1.043 406 S CA 1.397 59.694 58.200 0.161 0.000 1.074 406 S CB -0.241 63.037 63.200 0.130 0.000 0.962 406 S HN 0.638 nan 8.310 nan 0.000 0.433 407 N N 2.179 121.090 118.700 0.350 0.000 2.918 407 N HA 0.291 5.029 4.740 -0.003 0.000 0.270 407 N C -2.226 173.467 175.510 0.306 0.000 1.536 407 N CA -1.533 51.668 53.050 0.252 0.000 0.877 407 N CB 1.621 40.203 38.487 0.159 0.000 1.190 407 N HN 0.362 nan 8.380 nan 0.000 0.492 408 P HA -0.196 nan 4.420 nan 0.000 0.217 408 P C 0.644 178.007 177.300 0.104 0.000 1.151 408 P CA 1.324 64.480 63.100 0.092 0.000 0.849 408 P CB 0.389 32.154 31.700 0.109 0.000 0.787 409 R N -0.735 119.845 120.500 0.133 0.000 2.320 409 R HA 0.152 4.490 4.340 -0.003 0.000 0.211 409 R C 0.379 176.833 176.300 0.256 0.000 0.931 409 R CA 0.123 56.301 56.100 0.130 0.000 1.071 409 R CB -0.090 30.269 30.300 0.098 0.000 1.025 409 R HN 0.289 nan 8.270 nan 0.000 0.495 410 D N -0.160 120.417 120.400 0.296 0.000 2.340 410 D HA 0.102 4.740 4.640 -0.003 0.000 0.240 410 D C -1.178 175.309 176.300 0.312 0.000 1.001 410 D CA -0.652 53.522 54.000 0.291 0.000 0.888 410 D CB 1.516 42.392 40.800 0.125 0.000 1.310 410 D HN -0.132 nan 8.370 nan 0.000 0.474 411 F N 2.540 122.467 119.950 -0.039 0.000 2.421 411 F HA 0.310 4.836 4.527 -0.003 0.000 0.358 411 F C -0.279 175.338 175.800 -0.305 0.000 1.115 411 F CA -0.476 57.342 58.000 -0.303 0.000 1.160 411 F CB 0.144 38.714 39.000 -0.716 0.000 1.123 411 F HN 0.138 nan 8.300 nan 0.000 0.508 412 N N 7.498 125.705 118.700 -0.822 0.000 2.699 412 N HA 0.333 5.071 4.740 -0.003 0.000 0.271 412 N C -2.622 172.494 175.510 -0.658 0.000 1.216 412 N CA -1.603 51.004 53.050 -0.739 0.000 0.844 412 N CB 1.711 39.836 38.487 -0.603 0.000 1.462 412 N HN 0.120 nan 8.380 nan 0.000 0.555 413 P HA -0.194 nan 4.420 nan 0.000 0.218 413 P C 0.919 178.108 177.300 -0.184 0.000 1.146 413 P CA 1.158 64.040 63.100 -0.363 0.000 0.820 413 P CB 0.306 31.697 31.700 -0.515 0.000 0.778 414 Q N -1.605 118.063 119.800 -0.221 0.000 2.368 414 Q HA -0.196 4.142 4.340 -0.003 0.000 0.210 414 Q C 1.816 177.724 176.000 -0.153 0.000 0.982 414 Q CA 1.406 57.117 55.803 -0.154 0.000 0.884 414 Q CB -1.250 27.392 28.738 -0.160 0.000 0.933 414 Q HN 0.596 nan 8.270 nan 0.000 0.460 415 H N -1.526 117.431 119.070 -0.189 0.000 2.489 415 H HA -0.096 4.458 4.556 -0.003 0.000 0.295 415 H C 0.309 175.215 175.328 -0.704 0.000 1.082 415 H CA 0.624 56.458 56.048 -0.356 0.000 1.295 415 H CB 0.107 29.636 29.762 -0.389 0.000 1.380 415 H HN 0.160 nan 8.280 nan 0.000 0.548 416 F N 0.244 120.142 119.950 -0.087 0.000 2.791 416 F HA 0.308 4.834 4.527 -0.003 0.000 0.308 416 F C -0.587 174.907 175.800 -0.509 0.000 1.138 416 F CA -0.147 57.614 58.000 -0.398 0.000 1.294 416 F CB 0.620 39.366 39.000 -0.423 0.000 0.975 416 F HN -0.115 nan 8.300 nan 0.000 0.512 417 L N 0.691 121.796 121.223 -0.197 0.000 2.408 417 L HA 0.430 4.768 4.340 -0.003 0.000 0.268 417 L C -0.540 176.254 176.870 -0.127 0.000 0.986 417 L CA -1.103 53.656 54.840 -0.135 0.000 0.820 417 L CB 1.809 43.852 42.059 -0.027 0.000 1.303 417 L HN -0.007 nan 8.230 nan 0.000 0.411 418 D N 1.499 121.835 120.400 -0.107 0.000 2.478 418 D HA 0.191 4.829 4.640 -0.003 0.000 0.269 418 D C 0.727 176.995 176.300 -0.054 0.000 1.232 418 D CA -0.533 53.414 54.000 -0.088 0.000 1.059 418 D CB 0.876 41.628 40.800 -0.079 0.000 1.104 418 D HN 0.231 nan 8.370 nan 0.000 0.566 419 K N -0.031 120.339 120.400 -0.050 0.000 2.034 419 K HA -0.171 4.147 4.320 -0.003 0.000 0.214 419 K C 1.733 178.318 176.600 -0.024 0.000 1.051 419 K CA 1.860 58.125 56.287 -0.037 0.000 0.931 419 K CB -0.447 32.030 32.500 -0.038 0.000 0.715 419 K HN 0.273 nan 8.250 nan 0.000 0.446 420 K N -0.949 119.439 120.400 -0.020 0.000 2.504 420 K HA 0.114 4.432 4.320 -0.003 0.000 0.195 420 K C 0.999 177.599 176.600 -0.000 0.000 1.036 420 K CA 0.876 57.157 56.287 -0.010 0.000 0.984 420 K CB 0.068 32.563 32.500 -0.009 0.000 0.788 420 K HN 0.439 nan 8.250 nan 0.000 0.488 421 G N 0.199 109.001 108.800 0.003 0.000 2.163 421 G HA2 -0.288 3.671 3.960 -0.003 0.000 0.213 421 G HA3 -0.288 3.671 3.960 -0.003 0.000 0.213 421 G C -0.050 174.876 174.900 0.043 0.000 0.991 421 G CA -0.011 45.105 45.100 0.026 0.000 0.653 421 G HN 0.356 nan 8.290 nan 0.000 0.518 422 Q N -0.678 119.138 119.800 0.026 0.000 2.317 422 Q HA 0.630 4.969 4.340 -0.003 0.000 0.229 422 Q C 0.037 176.071 176.000 0.056 0.000 0.984 422 Q CA -0.935 54.897 55.803 0.048 0.000 0.911 422 Q CB 0.572 29.328 28.738 0.030 0.000 1.217 422 Q HN 0.383 nan 8.270 nan 0.000 0.501 423 F N 1.726 121.649 119.950 -0.045 0.000 2.429 423 F HA 0.243 4.768 4.527 -0.003 0.000 0.348 423 F C -0.489 175.276 175.800 -0.058 0.000 1.109 423 F CA 0.137 58.094 58.000 -0.071 0.000 1.232 423 F CB 0.628 39.546 39.000 -0.136 0.000 1.157 423 F HN 0.292 nan 8.300 nan 0.000 0.564 424 K N 6.647 126.441 120.400 -1.009 0.000 2.507 424 K HA 0.266 4.585 4.320 -0.003 0.000 0.253 424 K C -0.731 175.463 176.600 -0.677 0.000 0.969 424 K CA -0.697 55.226 56.287 -0.607 0.000 0.908 424 K CB 0.834 33.113 32.500 -0.369 0.000 1.127 424 K HN 0.695 nan 8.250 nan 0.000 0.437 425 K N 1.189 121.459 120.400 -0.215 0.000 2.440 425 K HA 0.022 4.340 4.320 -0.003 0.000 0.270 425 K C -0.167 176.458 176.600 0.042 0.000 0.980 425 K CA 0.260 56.591 56.287 0.074 0.000 0.953 425 K CB 0.883 33.503 32.500 0.200 0.000 0.925 425 K HN 0.362 nan 8.250 nan 0.000 0.497 426 S N 0.766 116.584 115.700 0.197 0.000 2.677 426 S HA 0.087 4.555 4.470 -0.003 0.000 0.283 426 S C -0.142 174.609 174.600 0.252 0.000 1.159 426 S CA -0.794 57.505 58.200 0.164 0.000 1.001 426 S CB 1.362 64.635 63.200 0.122 0.000 1.032 426 S HN 0.627 nan 8.310 nan 0.000 0.487 427 D N 3.696 124.196 120.400 0.167 0.000 2.351 427 D HA 0.082 4.720 4.640 -0.003 0.000 0.216 427 D C 1.550 177.884 176.300 0.056 0.000 0.968 427 D CA 1.236 55.320 54.000 0.140 0.000 0.899 427 D CB 0.182 41.059 40.800 0.127 0.000 0.907 427 D HN 0.598 nan 8.370 nan 0.000 0.514 428 A N -0.511 122.246 122.820 -0.106 0.000 2.275 428 A HA 0.096 4.414 4.320 -0.003 0.000 0.212 428 A C 0.512 178.292 177.584 0.326 0.000 1.201 428 A CA -0.407 51.569 52.037 -0.103 0.000 0.843 428 A CB -0.460 18.259 19.000 -0.468 0.000 0.873 428 A HN 0.260 nan 8.150 nan 0.000 0.492 429 F N 1.746 121.882 119.950 0.311 0.000 2.515 429 F HA 0.367 4.893 4.527 -0.003 0.000 0.353 429 F C 0.713 176.646 175.800 0.222 0.000 1.213 429 F CA -0.729 57.495 58.000 0.374 0.000 1.194 429 F CB 0.845 40.166 39.000 0.535 0.000 1.488 429 F HN 0.025 nan 8.300 nan 0.000 0.619 430 V N 5.116 124.926 119.914 -0.174 0.000 2.854 430 V HA 0.325 4.443 4.120 -0.003 0.000 0.366 430 V C -1.692 174.216 176.094 -0.310 0.000 1.322 430 V CA -0.811 61.385 62.300 -0.175 0.000 1.243 430 V CB -0.126 31.655 31.823 -0.070 0.000 1.337 430 V HN 0.446 nan 8.190 nan 0.000 0.585 431 P HA -0.105 nan 4.420 nan 0.000 0.218 431 P C 0.960 177.920 177.300 -0.567 0.000 1.148 431 P CA 1.429 64.133 63.100 -0.660 0.000 0.822 431 P CB 0.014 31.129 31.700 -0.976 0.000 0.784 432 F N -0.366 119.466 119.950 -0.198 0.000 2.664 432 F HA 0.295 4.820 4.527 -0.003 0.000 0.301 432 F C 1.486 177.276 175.800 -0.017 0.000 1.126 432 F CA 0.029 57.981 58.000 -0.081 0.000 1.373 432 F CB -0.683 38.314 39.000 -0.005 0.000 1.042 432 F HN -0.076 nan 8.300 nan 0.000 0.535 433 S N 0.493 116.229 115.700 0.060 0.000 3.585 433 S HA -0.193 4.275 4.470 -0.003 0.000 0.638 433 S C -0.415 174.262 174.600 0.128 0.000 2.340 433 S CA 0.521 58.761 58.200 0.066 0.000 2.517 433 S CB -0.723 62.535 63.200 0.096 0.000 0.329 433 S HN 0.504 nan 8.310 nan 0.000 1.795 434 I N -1.899 118.733 120.570 0.104 0.000 3.195 434 I HA 0.802 4.970 4.170 -0.003 0.000 0.313 434 I C 0.448 176.634 176.117 0.115 0.000 1.237 434 I CA -0.212 61.145 61.300 0.094 0.000 0.963 434 I CB 1.374 39.376 38.000 0.002 0.000 1.278 434 I HN 1.979 nan 8.210 nan 0.000 0.460 435 G N 2.575 111.441 108.800 0.110 0.000 2.582 435 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.222 435 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.222 435 G C -0.016 175.038 174.900 0.257 0.000 1.311 435 G CA 0.038 45.216 45.100 0.130 0.000 0.915 435 G HN 0.887 nan 8.290 nan 0.000 0.528 436 K N -0.050 120.480 120.400 0.217 0.000 2.283 436 K HA -0.006 4.312 4.320 -0.003 0.000 0.202 436 K C 2.007 178.735 176.600 0.212 0.000 1.048 436 K CA 1.030 57.453 56.287 0.226 0.000 0.948 436 K CB -0.056 32.538 32.500 0.158 0.000 0.742 436 K HN 0.229 nan 8.250 nan 0.000 0.458 437 R N 0.730 121.362 120.500 0.219 0.000 2.393 437 R HA 0.049 4.387 4.340 -0.003 0.000 0.244 437 R C 0.053 176.398 176.300 0.074 0.000 0.920 437 R CA -0.293 55.879 56.100 0.120 0.000 1.076 437 R CB -0.773 29.584 30.300 0.096 0.000 1.119 437 R HN 0.283 nan 8.270 nan 0.000 0.524 438 Y N -0.639 119.729 120.300 0.114 0.000 2.805 438 Y HA -0.084 4.464 4.550 -0.003 0.000 0.337 438 Y C 0.801 176.746 175.900 0.075 0.000 1.252 438 Y CA -1.255 56.900 58.100 0.091 0.000 1.515 438 Y CB 0.134 38.646 38.460 0.086 0.000 1.305 438 Y HN 0.000 nan 8.280 nan 0.000 0.600 439 C N 8.437 127.688 119.300 -0.081 0.000 2.519 439 C HA 0.015 4.473 4.460 -0.003 0.000 0.402 439 C C 1.234 175.986 174.990 -0.397 0.000 1.475 439 C CA -0.533 58.338 59.018 -0.246 0.000 1.504 439 C CB -2.544 25.210 27.740 0.023 0.000 2.454 439 C HN 0.950 nan 8.230 nan 0.000 0.615 440 F N 3.436 123.139 119.950 -0.411 0.000 2.773 440 F HA 0.360 4.885 4.527 -0.003 0.000 0.304 440 F C 1.405 177.117 175.800 -0.147 0.000 1.129 440 F CA -0.142 57.646 58.000 -0.353 0.000 1.378 440 F CB -0.732 38.078 39.000 -0.317 0.000 1.095 440 F HN 0.538 nan 8.300 nan 0.000 0.565 441 G N 0.032 108.676 108.800 -0.260 0.000 3.233 441 G HA2 -0.002 3.956 3.960 -0.003 0.000 0.234 441 G HA3 -0.002 3.956 3.960 -0.003 0.000 0.234 441 G C 1.278 176.086 174.900 -0.154 0.000 1.137 441 G CA 0.150 45.161 45.100 -0.149 0.000 0.763 441 G HN 0.462 nan 8.290 nan 0.000 0.549 442 E N 0.734 120.781 120.200 -0.255 0.000 2.049 442 E HA -0.120 4.228 4.350 -0.003 0.000 0.198 442 E C 2.562 178.928 176.600 -0.390 0.000 1.007 442 E CA 1.392 57.392 56.400 -0.667 0.000 0.809 442 E CB -0.443 28.867 29.700 -0.649 0.000 0.749 442 E HN 0.265 nan 8.360 nan 0.000 0.450 443 G N 1.537 110.243 108.800 -0.155 0.000 2.553 443 G HA2 -0.326 3.632 3.960 -0.003 0.000 0.218 443 G HA3 -0.326 3.632 3.960 -0.003 0.000 0.218 443 G C 1.522 176.357 174.900 -0.108 0.000 1.195 443 G CA 1.175 46.227 45.100 -0.080 0.000 0.779 443 G HN 0.358 nan 8.290 nan 0.000 0.577 444 L N 1.348 122.523 121.223 -0.080 0.000 2.079 444 L HA 0.112 4.450 4.340 -0.003 0.000 0.210 444 L C 3.015 179.852 176.870 -0.057 0.000 1.081 444 L CA 2.333 57.129 54.840 -0.073 0.000 0.752 444 L CB -0.658 41.388 42.059 -0.023 0.000 0.896 444 L HN 0.253 nan 8.230 nan 0.000 0.433 445 A N -0.372 122.431 122.820 -0.029 0.000 1.930 445 A HA -0.154 4.164 4.320 -0.003 0.000 0.217 445 A C 2.356 180.020 177.584 0.132 0.000 1.175 445 A CA 1.451 53.544 52.037 0.095 0.000 0.627 445 A CB -0.486 18.666 19.000 0.254 0.000 0.815 445 A HN 0.527 nan 8.150 nan 0.000 0.443 446 R N -1.184 119.346 120.500 0.049 0.000 2.096 446 R HA -0.061 4.277 4.340 -0.003 0.000 0.235 446 R C 2.268 178.643 176.300 0.125 0.000 1.127 446 R CA 1.519 57.711 56.100 0.152 0.000 0.968 446 R CB -0.434 29.947 30.300 0.135 0.000 0.861 446 R HN 0.613 nan 8.270 nan 0.000 0.440 447 M N 1.055 120.533 119.600 -0.203 0.000 2.099 447 M HA -0.156 4.322 4.480 -0.003 0.000 0.262 447 M C 1.810 177.992 176.300 -0.197 0.000 1.067 447 M CA 1.722 56.675 55.300 -0.578 0.000 1.124 447 M CB 0.058 32.166 32.600 -0.821 0.000 1.353 447 M HN 0.107 nan 8.290 nan 0.000 0.410 448 E N 0.279 120.407 120.200 -0.120 0.000 2.058 448 E HA -0.232 4.116 4.350 -0.003 0.000 0.194 448 E C 2.017 178.686 176.600 0.114 0.000 0.997 448 E CA 1.537 57.863 56.400 -0.123 0.000 0.801 448 E CB -0.311 29.461 29.700 0.120 0.000 0.746 448 E HN 0.525 nan 8.360 nan 0.000 0.450 449 L N 0.047 121.451 121.223 0.302 0.000 2.012 449 L HA -0.201 4.137 4.340 -0.003 0.000 0.210 449 L C 2.475 179.711 176.870 0.611 0.000 1.073 449 L CA 1.328 56.475 54.840 0.511 0.000 0.748 449 L CB -0.366 41.978 42.059 0.475 0.000 0.891 449 L HN 0.151 nan 8.230 nan 0.000 0.431 450 F N -0.013 120.138 119.950 0.336 0.000 2.186 450 F HA -0.165 4.361 4.527 -0.003 0.000 0.299 450 F C 2.148 178.125 175.800 0.295 0.000 1.090 450 F CA 1.259 59.459 58.000 0.333 0.000 1.307 450 F CB 0.092 39.309 39.000 0.362 0.000 1.019 450 F HN -0.114 nan 8.300 nan 0.000 0.489 451 L N -1.061 120.141 121.223 -0.035 0.000 2.179 451 L HA -0.138 4.200 4.340 -0.003 0.000 0.208 451 L C 2.114 178.915 176.870 -0.115 0.000 1.096 451 L CA 0.560 55.264 54.840 -0.227 0.000 0.779 451 L CB -0.621 41.293 42.059 -0.243 0.000 0.922 451 L HN 0.126 nan 8.230 nan 0.000 0.443 452 F N -0.708 119.291 119.950 0.083 0.000 2.187 452 F HA -0.069 4.456 4.527 -0.003 0.000 0.295 452 F C 2.201 178.080 175.800 0.131 0.000 1.091 452 F CA 0.906 58.950 58.000 0.073 0.000 1.308 452 F CB -0.820 38.183 39.000 0.005 0.000 1.030 452 F HN -0.115 nan 8.300 nan 0.000 0.487 453 F N 0.220 120.384 119.950 0.357 0.000 2.102 453 F HA -0.213 4.312 4.527 -0.003 0.000 0.298 453 F C 2.491 178.439 175.800 0.248 0.000 1.105 453 F CA 1.930 60.159 58.000 0.381 0.000 1.239 453 F CB -1.082 38.114 39.000 0.326 0.000 0.991 453 F HN -0.163 nan 8.300 nan 0.000 0.474 454 T N -0.968 113.721 114.554 0.225 0.000 2.588 454 T HA -0.195 4.153 4.350 -0.003 0.000 0.261 454 T C 1.966 176.738 174.700 0.120 0.000 1.069 454 T CA 2.232 64.368 62.100 0.060 0.000 1.172 454 T CB -0.769 67.930 68.868 -0.282 0.000 0.863 454 T HN 0.209 nan 8.240 nan 0.000 0.408 455 T N 2.130 116.741 114.554 0.095 0.000 2.760 455 T HA -0.064 4.284 4.350 -0.003 0.000 0.269 455 T C 1.921 176.755 174.700 0.223 0.000 1.047 455 T CA 1.039 63.219 62.100 0.133 0.000 1.139 455 T CB -0.440 68.508 68.868 0.133 0.000 0.855 455 T HN 0.324 nan 8.240 nan 0.000 0.471 456 I N 0.021 120.778 120.570 0.311 0.000 2.406 456 I HA -0.005 4.163 4.170 -0.003 0.000 0.249 456 I C 2.328 178.702 176.117 0.429 0.000 1.122 456 I CA 1.069 62.615 61.300 0.409 0.000 1.431 456 I CB -0.217 38.056 38.000 0.455 0.000 1.087 456 I HN 0.239 nan 8.210 nan 0.000 0.424 457 M N -0.015 119.782 119.600 0.328 0.000 2.558 457 M HA -0.115 4.363 4.480 -0.003 0.000 0.255 457 M C 2.231 178.649 176.300 0.197 0.000 1.113 457 M CA 0.898 56.333 55.300 0.225 0.000 1.097 457 M CB -0.140 32.562 32.600 0.170 0.000 1.426 457 M HN 0.283 nan 8.290 nan 0.000 0.488 458 Q N 0.872 120.764 119.800 0.152 0.000 2.083 458 Q HA -0.125 4.213 4.340 -0.003 0.000 0.198 458 Q C 1.372 177.351 176.000 -0.034 0.000 0.969 458 Q CA 1.325 57.164 55.803 0.059 0.000 0.838 458 Q CB 0.053 28.823 28.738 0.053 0.000 0.900 458 Q HN 0.463 nan 8.270 nan 0.000 0.436 459 N N -1.106 117.579 118.700 -0.025 0.000 2.424 459 N HA 0.110 4.849 4.740 -0.003 0.000 0.178 459 N C -0.634 174.512 175.510 -0.606 0.000 1.060 459 N CA 0.461 53.330 53.050 -0.301 0.000 0.901 459 N CB 0.507 38.801 38.487 -0.322 0.000 0.979 459 N HN 0.094 nan 8.380 nan 0.000 0.451 460 F N -0.048 119.951 119.950 0.081 0.000 2.664 460 F HA 0.433 4.958 4.527 -0.003 0.000 0.317 460 F C 0.009 175.831 175.800 0.037 0.000 1.108 460 F CA -1.249 56.831 58.000 0.134 0.000 0.957 460 F CB 1.317 40.531 39.000 0.358 0.000 1.365 460 F HN -0.264 nan 8.300 nan 0.000 0.475 461 R N 0.557 121.220 120.500 0.272 0.000 2.750 461 R HA 0.670 5.008 4.340 -0.003 0.000 0.281 461 R C -1.994 174.449 176.300 0.237 0.000 0.972 461 R CA -0.665 55.479 56.100 0.074 0.000 0.912 461 R CB 1.747 32.074 30.300 0.044 0.000 1.187 461 R HN 0.582 nan 8.270 nan 0.000 0.464 462 F N 1.578 121.554 119.950 0.043 0.000 2.410 462 F HA 0.401 4.927 4.527 -0.003 0.000 0.349 462 F C 0.674 176.412 175.800 -0.104 0.000 1.117 462 F CA -1.070 56.852 58.000 -0.129 0.000 1.104 462 F CB 1.584 40.455 39.000 -0.215 0.000 1.122 462 F HN 0.169 nan 8.300 nan 0.000 0.483 463 K N 2.918 123.350 120.400 0.053 0.000 2.450 463 K HA 0.275 4.593 4.320 -0.003 0.000 0.257 463 K C -0.915 175.660 176.600 -0.043 0.000 0.953 463 K CA -0.229 56.063 56.287 0.008 0.000 0.844 463 K CB 1.947 34.456 32.500 0.015 0.000 1.103 463 K HN 0.650 nan 8.250 nan 0.000 0.429 464 S N 4.206 119.886 115.700 -0.034 0.000 2.541 464 S HA 0.434 4.903 4.470 -0.003 0.000 0.283 464 S C -1.366 173.219 174.600 -0.025 0.000 1.196 464 S CA -1.575 56.599 58.200 -0.044 0.000 1.062 464 S CB 0.988 64.150 63.200 -0.065 0.000 1.009 464 S HN 0.475 nan 8.310 nan 0.000 0.502 465 P HA -0.084 nan 4.420 nan 0.000 0.223 465 P C 0.011 177.305 177.300 -0.010 0.000 1.151 465 P CA 0.872 63.967 63.100 -0.008 0.000 0.787 465 P CB 0.029 31.729 31.700 -0.001 0.000 0.788 466 Q N -0.542 119.248 119.800 -0.017 0.000 2.195 466 Q HA 0.524 4.862 4.340 -0.003 0.000 0.250 466 Q C -0.413 175.570 176.000 -0.028 0.000 0.988 466 Q CA -0.952 54.839 55.803 -0.020 0.000 0.911 466 Q CB 0.628 29.353 28.738 -0.022 0.000 1.258 466 Q HN -0.226 nan 8.270 nan 0.000 0.475 467 S N 1.712 117.396 115.700 -0.026 0.000 2.565 467 S HA 0.101 4.569 4.470 -0.003 0.000 0.276 467 S C -1.834 172.738 174.600 -0.047 0.000 1.326 467 S CA -1.009 57.174 58.200 -0.029 0.000 1.045 467 S CB 0.832 64.020 63.200 -0.020 0.000 0.918 467 S HN 0.525 nan 8.310 nan 0.000 0.505 468 P HA -0.210 nan 4.420 nan 0.000 0.218 468 P C 1.137 178.380 177.300 -0.095 0.000 1.150 468 P CA 1.283 64.332 63.100 -0.087 0.000 0.841 468 P CB 0.142 31.801 31.700 -0.069 0.000 0.784 469 K N -0.693 119.673 120.400 -0.057 0.000 2.057 469 K HA -0.078 4.240 4.320 -0.003 0.000 0.206 469 K C 1.109 177.686 176.600 -0.038 0.000 1.050 469 K CA 1.281 57.544 56.287 -0.041 0.000 0.935 469 K CB -1.009 31.480 32.500 -0.019 0.000 0.715 469 K HN 0.275 nan 8.250 nan 0.000 0.439 470 D N 0.655 121.033 120.400 -0.036 0.000 2.328 470 D HA 0.118 4.757 4.640 -0.003 0.000 0.221 470 D C 0.539 176.816 176.300 -0.038 0.000 1.072 470 D CA 0.036 54.019 54.000 -0.028 0.000 0.850 470 D CB 0.178 40.967 40.800 -0.019 0.000 0.922 470 D HN 0.161 nan 8.370 nan 0.000 0.516 471 I N 1.196 121.727 120.570 -0.065 0.000 2.474 471 I HA 0.012 4.180 4.170 -0.003 0.000 0.287 471 I C 0.605 176.687 176.117 -0.059 0.000 1.048 471 I CA -0.165 61.088 61.300 -0.079 0.000 1.383 471 I CB 0.932 38.852 38.000 -0.133 0.000 1.412 471 I HN -0.276 nan 8.210 nan 0.000 0.531 472 D N 6.209 126.589 120.400 -0.034 0.000 2.412 472 D HA 0.147 4.785 4.640 -0.003 0.000 0.224 472 D C 0.694 177.017 176.300 0.038 0.000 1.093 472 D CA -0.364 53.640 54.000 0.006 0.000 0.850 472 D CB 1.708 42.514 40.800 0.010 0.000 1.046 472 D HN 0.375 nan 8.370 nan 0.000 0.507 473 V N 1.908 121.877 119.914 0.092 0.000 3.623 473 V HA 0.086 4.204 4.120 -0.003 0.000 0.271 473 V C 0.990 177.318 176.094 0.389 0.000 1.248 473 V CA 0.062 62.501 62.300 0.232 0.000 1.156 473 V CB -0.966 30.952 31.823 0.158 0.000 0.870 473 V HN 0.454 nan 8.190 nan 0.000 0.453 474 S N 2.301 118.137 115.700 0.228 0.000 2.572 474 S HA 0.408 4.876 4.470 -0.003 0.000 0.279 474 S C -1.960 172.709 174.600 0.115 0.000 1.341 474 S CA -0.874 57.432 58.200 0.177 0.000 1.043 474 S CB 0.549 63.803 63.200 0.090 0.000 0.887 474 S HN 0.513 nan 8.310 nan 0.000 0.516 475 P HA 0.191 nan 4.420 nan 0.000 0.274 475 P C 0.065 177.301 177.300 -0.107 0.000 1.231 475 P CA -0.579 62.495 63.100 -0.042 0.000 0.790 475 P CB 0.939 32.632 31.700 -0.012 0.000 0.951 476 K N 1.197 121.482 120.400 -0.190 0.000 2.167 476 K HA -0.042 4.276 4.320 -0.003 0.000 0.203 476 K C 0.142 176.412 176.600 -0.551 0.000 1.052 476 K CA 0.914 56.994 56.287 -0.345 0.000 0.956 476 K CB 0.166 32.455 32.500 -0.352 0.000 0.735 476 K HN 0.580 nan 8.250 nan 0.000 0.451 477 H N -1.035 117.993 119.070 -0.071 0.000 2.974 477 H HA 0.325 4.879 4.556 -0.003 0.000 0.366 477 H C -1.581 173.696 175.328 -0.085 0.000 1.155 477 H CA -0.750 55.254 56.048 -0.074 0.000 1.186 477 H CB 2.163 31.872 29.762 -0.088 0.000 1.799 477 H HN -0.191 nan 8.280 nan 0.000 0.541 478 V N 2.242 122.193 119.914 0.060 0.000 2.488 478 V HA 0.564 4.682 4.120 -0.003 0.000 0.293 478 V C 0.300 176.387 176.094 -0.012 0.000 1.027 478 V CA -0.032 62.263 62.300 -0.008 0.000 0.862 478 V CB 1.484 33.294 31.823 -0.022 0.000 1.008 478 V HN 1.024 nan 8.190 nan 0.000 0.428 479 G N 2.359 111.129 108.800 -0.050 0.000 3.341 479 G HA2 0.196 4.154 3.960 -0.003 0.000 0.186 479 G HA3 0.196 4.154 3.960 -0.003 0.000 0.186 479 G C 0.417 175.305 174.900 -0.020 0.000 1.430 479 G CA 0.184 45.264 45.100 -0.033 0.000 0.961 479 G HN 0.395 nan 8.290 nan 0.000 0.767 480 F N 2.401 122.255 119.950 -0.161 0.000 2.171 480 F HA 0.481 5.006 4.527 -0.003 0.000 0.300 480 F C 1.133 176.830 175.800 -0.171 0.000 1.090 480 F CA 1.120 59.032 58.000 -0.147 0.000 1.293 480 F CB -0.187 38.749 39.000 -0.107 0.000 1.013 480 F HN 0.408 nan 8.300 nan 0.000 0.486 481 A N -0.811 121.816 122.820 -0.321 0.000 2.387 481 A HA 0.649 4.968 4.320 -0.003 0.000 0.303 481 A C -0.619 176.827 177.584 -0.231 0.000 1.145 481 A CA -0.359 51.425 52.037 -0.421 0.000 0.801 481 A CB 0.710 19.263 19.000 -0.745 0.000 1.342 481 A HN 0.058 nan 8.150 nan 0.000 0.440 482 T N 2.048 116.516 114.554 -0.144 0.000 2.772 482 T HA 0.499 4.847 4.350 -0.003 0.000 0.288 482 T C -0.525 174.165 174.700 -0.017 0.000 0.994 482 T CA -0.063 62.002 62.100 -0.058 0.000 0.951 482 T CB 0.116 68.973 68.868 -0.017 0.000 0.933 482 T HN 0.370 nan 8.240 nan 0.000 0.447 483 I N 6.715 127.254 120.570 -0.052 0.000 2.354 483 I HA 0.374 4.542 4.170 -0.003 0.000 0.292 483 I C -2.135 173.828 176.117 -0.257 0.000 0.989 483 I CA -3.240 58.010 61.300 -0.084 0.000 1.188 483 I CB 1.526 39.533 38.000 0.010 0.000 1.342 483 I HN 0.303 nan 8.210 nan 0.000 0.457 484 P HA 0.264 nan 4.420 nan 0.000 0.274 484 P C -0.319 176.827 177.300 -0.258 0.000 1.231 484 P CA -0.544 62.151 63.100 -0.675 0.000 0.790 484 P CB 0.970 32.123 31.700 -0.911 0.000 0.951 485 R N 1.356 121.755 120.500 -0.169 0.000 2.827 485 R HA 0.135 4.473 4.340 -0.003 0.000 0.269 485 R C 0.550 176.864 176.300 0.023 0.000 1.048 485 R CA -0.180 55.878 56.100 -0.071 0.000 1.173 485 R CB -0.191 30.084 30.300 -0.042 0.000 1.070 485 R HN 0.491 nan 8.270 nan 0.000 0.498 486 N N 0.835 119.533 118.700 -0.004 0.000 2.479 486 N HA 0.143 4.881 4.740 -0.003 0.000 0.257 486 N C -1.125 174.428 175.510 0.071 0.000 1.232 486 N CA 0.379 53.414 53.050 -0.025 0.000 0.920 486 N CB 0.397 38.860 38.487 -0.039 0.000 1.105 486 N HN 0.431 nan 8.380 nan 0.000 0.444 487 Y N -2.822 117.446 120.300 -0.054 0.000 2.662 487 Y HA 0.554 5.103 4.550 -0.003 0.000 0.334 487 Y C -1.021 174.845 175.900 -0.057 0.000 1.185 487 Y CA -1.344 56.723 58.100 -0.055 0.000 1.074 487 Y CB 0.395 38.818 38.460 -0.061 0.000 1.330 487 Y HN 0.519 nan 8.280 nan 0.000 0.458 488 T N 1.298 115.914 114.554 0.104 0.000 2.942 488 T HA 0.865 5.213 4.350 -0.003 0.000 0.289 488 T C -0.459 174.301 174.700 0.101 0.000 1.044 488 T CA -0.507 61.594 62.100 0.000 0.000 1.023 488 T CB 1.927 70.787 68.868 -0.014 0.000 1.123 488 T HN 1.372 nan 8.240 nan 0.000 0.512 489 M N -0.383 119.189 119.600 -0.047 0.000 2.949 489 M HA 0.679 5.157 4.480 -0.003 0.000 0.270 489 M C -1.666 174.478 176.300 -0.260 0.000 1.221 489 M CA -0.976 54.236 55.300 -0.147 0.000 0.818 489 M CB 2.009 34.474 32.600 -0.225 0.000 1.635 489 M HN 0.729 nan 8.290 nan 0.000 0.492 490 S N 0.408 115.938 115.700 -0.284 0.000 2.532 490 S HA 0.767 5.236 4.470 -0.003 0.000 0.299 490 S C -1.376 173.068 174.600 -0.261 0.000 1.105 490 S CA -0.604 57.473 58.200 -0.206 0.000 1.018 490 S CB 0.847 64.013 63.200 -0.056 0.000 1.021 490 S HN 0.515 nan 8.310 nan 0.000 0.483 491 F N 2.596 122.493 119.950 -0.089 0.000 2.390 491 F HA 0.453 4.978 4.527 -0.003 0.000 0.361 491 F C 0.051 175.960 175.800 0.182 0.000 1.124 491 F CA -0.792 57.175 58.000 -0.056 0.000 1.149 491 F CB 0.846 39.512 39.000 -0.557 0.000 1.160 491 F HN 0.391 nan 8.300 nan 0.000 0.501 492 L N 6.565 128.062 121.223 0.456 0.000 2.280 492 L HA 0.406 4.744 4.340 -0.003 0.000 0.287 492 L C -2.220 174.876 176.870 0.377 0.000 1.023 492 L CA -2.329 52.730 54.840 0.365 0.000 0.819 492 L CB 1.463 43.635 42.059 0.189 0.000 1.212 492 L HN 0.326 nan 8.230 nan 0.000 0.420 493 P HA 0.029 nan 4.420 nan 0.000 0.261 493 P C -0.381 176.864 177.300 -0.093 0.000 1.183 493 P CA 0.205 63.249 63.100 -0.095 0.000 0.761 493 P CB 0.705 32.359 31.700 -0.077 0.000 0.785 494 R N 0.000 120.390 120.500 -0.183 0.000 2.786 494 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 494 R CA 0.000 56.002 56.100 -0.164 0.000 0.921 494 R CB 0.000 30.160 30.300 -0.234 0.000 0.687 494 R HN 0.000 nan 8.270 nan 0.000 0.535