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 3ol2_1_A DATA FIRST_RESID 24 DATA SEQUENCE FAPIPRITWE HREVHLVQFH EPDIYNYSAL LLSEDKDTLY IGAREAVFAV DATA SEQUENCE NALNISEKQH EVYWKVSEDK KAKcAEKGKS KQTEcLNYIR VLQPLSATSL DATA SEQUENCE YVcGTNAFQP AcDHLNLTSF KFLGKNEDGK GRCPFDPAHS YTSVMVDGEL DATA SEQUENCE YSGTSYNFLG SEPIISRNSS HSPLRTEYAI PWLNEPSFVF ADVIRKXXXX DATA SEQUENCE XXGEDDRVYF FFTEVSVEYE FVFRVLIPRI ARVcKGDQGG LRTLQKKWTS DATA SEQUENCE FLKARLIcSR PDSGLVFNVL RDVFVLRSPG LKVPVFYALF TPQLNNVGLS DATA SEQUENCE AVcAYNLSTA EEVFSHGKYM QSTTVEQSHT KWVRYNGPVP KPRPGAcIDS DATA SEQUENCE EARAANYTSS LNLPDKTLQF VKDHPLMDDS VTPIDNRPRL IKKDVNYTQI DATA SEQUENCE VVDRTQALDG TVYDVMFVST DRGALHKAIS LEHAVHIIEE TQLFQDFEPV DATA SEQUENCE QTLLLSSKKG NRFVYAGSNS GVVQAPLAFc GKHGTcEDcV LARDPYcAWS DATA SEQUENCE PPTATcVALH QTESPSRGLI QEMSGDASVc PDXXXXXYRQ HFFKHGGTAE DATA SEQUENCE LKcSQKSNLA RVFWKFQNGV LKAESPKYGL MGRKNLLIFN LSEGDSGVYQ DATA SEQUENCE cLSEERVKNK TVFQVVAKHV LEVKV 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 24 F HA 0.000 nan 4.527 nan 0.000 0.279 24 F C 0.000 175.836 175.800 0.059 0.000 0.967 24 F CA 0.000 58.039 58.000 0.065 0.000 1.383 24 F CB 0.000 39.038 39.000 0.063 0.000 1.145 25 A N 3.545 126.510 122.820 0.241 0.000 2.462 25 A HA 0.606 4.926 4.320 0.001 0.000 0.243 25 A C -2.067 175.611 177.584 0.156 0.000 1.076 25 A CA -0.856 51.282 52.037 0.168 0.000 0.773 25 A CB -0.427 18.671 19.000 0.164 0.000 1.010 25 A HN 0.405 nan 8.150 nan 0.000 0.493 26 P HA 0.264 nan 4.420 nan 0.000 0.296 26 P C 0.068 177.407 177.300 0.064 0.000 1.295 26 P CA -0.285 62.864 63.100 0.082 0.000 0.754 26 P CB 0.218 31.959 31.700 0.068 0.000 1.311 27 I N -3.603 116.985 120.570 0.030 0.000 2.612 27 I HA 0.406 4.577 4.170 0.001 0.000 0.295 27 I C -2.459 173.630 176.117 -0.047 0.000 1.011 27 I CA -3.020 58.282 61.300 0.003 0.000 1.326 27 I CB 0.345 38.339 38.000 -0.009 0.000 1.427 27 I HN 0.006 nan 8.210 nan 0.000 0.537 28 P HA 0.034 nan 4.420 nan 0.000 0.258 28 P C 0.408 177.607 177.300 -0.169 0.000 1.187 28 P CA 0.023 62.996 63.100 -0.211 0.000 0.767 28 P CB 0.452 31.920 31.700 -0.386 0.000 0.770 29 R N 3.210 123.625 120.500 -0.143 0.000 2.134 29 R HA -0.158 4.183 4.340 0.001 0.000 0.248 29 R C 0.411 176.613 176.300 -0.163 0.000 1.143 29 R CA 1.648 57.689 56.100 -0.098 0.000 0.957 29 R CB -0.157 30.129 30.300 -0.024 0.000 0.867 29 R HN 0.469 nan 8.270 nan 0.000 0.441 30 I N -0.324 120.088 120.570 -0.262 0.000 2.582 30 I HA 0.151 4.322 4.170 0.001 0.000 0.292 30 I C -0.690 175.075 176.117 -0.587 0.000 1.066 30 I CA -0.494 60.526 61.300 -0.467 0.000 1.053 30 I CB 2.496 40.116 38.000 -0.635 0.000 1.241 30 I HN -0.167 nan 8.210 nan 0.000 0.421 31 T N 4.220 118.444 114.554 -0.551 0.000 2.772 31 T HA 0.363 4.713 4.350 0.001 0.000 0.288 31 T C -1.151 173.307 174.700 -0.404 0.000 0.994 31 T CA -0.326 61.546 62.100 -0.381 0.000 0.951 31 T CB 0.287 69.053 68.868 -0.170 0.000 0.933 31 T HN 0.304 nan 8.240 nan 0.000 0.447 32 W N 2.675 123.952 121.300 -0.039 0.000 2.335 32 W HA 0.402 5.063 4.660 0.001 0.000 0.307 32 W C 0.604 177.088 176.519 -0.058 0.000 1.117 32 W CA -1.023 56.258 57.345 -0.107 0.000 1.228 32 W CB 0.500 29.806 29.460 -0.257 0.000 1.240 32 W HN 0.561 nan 8.180 nan 0.000 0.468 33 E N 1.872 122.183 120.200 0.186 0.000 2.390 33 E HA -0.094 4.256 4.350 0.001 0.000 0.261 33 E C 1.280 177.954 176.600 0.124 0.000 1.076 33 E CA -0.322 56.166 56.400 0.147 0.000 0.905 33 E CB 0.762 30.534 29.700 0.119 0.000 0.984 33 E HN 0.538 nan 8.360 nan 0.000 0.427 34 H N 3.303 122.395 119.070 0.036 0.000 2.426 34 H HA -0.177 4.380 4.556 0.001 0.000 0.298 34 H C 2.049 177.362 175.328 -0.024 0.000 1.107 34 H CA 1.925 57.965 56.048 -0.014 0.000 1.298 34 H CB 0.258 29.993 29.762 -0.045 0.000 1.377 34 H HN 0.503 nan 8.280 nan 0.000 0.519 35 R N 0.971 121.560 120.500 0.149 0.000 2.081 35 R HA -0.126 4.214 4.340 0.001 0.000 0.235 35 R C 1.691 178.005 176.300 0.022 0.000 1.131 35 R CA 1.912 58.067 56.100 0.092 0.000 0.960 35 R CB 0.000 30.348 30.300 0.079 0.000 0.856 35 R HN 0.539 nan 8.270 nan 0.000 0.436 36 E N 0.047 120.249 120.200 0.004 0.000 2.465 36 E HA 0.070 4.421 4.350 0.001 0.000 0.191 36 E C -0.079 176.396 176.600 -0.207 0.000 1.053 36 E CA -0.135 56.241 56.400 -0.040 0.000 0.869 36 E CB 0.577 30.313 29.700 0.059 0.000 0.977 36 E HN 0.193 nan 8.360 nan 0.000 0.483 37 V N -1.901 117.846 119.914 -0.278 0.000 3.078 37 V HA 0.388 4.509 4.120 0.001 0.000 0.311 37 V C -0.959 175.017 176.094 -0.196 0.000 1.138 37 V CA -1.464 60.553 62.300 -0.471 0.000 1.007 37 V CB 1.542 32.723 31.823 -1.069 0.000 1.045 37 V HN 0.092 nan 8.190 nan 0.000 0.432 38 H N 2.879 121.840 119.070 -0.182 0.000 2.911 38 H HA 0.681 5.237 4.556 0.001 0.000 0.273 38 H C -0.941 174.359 175.328 -0.047 0.000 1.157 38 H CA -0.510 55.488 56.048 -0.084 0.000 1.402 38 H CB 0.165 29.902 29.762 -0.041 0.000 1.463 38 H HN 0.692 nan 8.280 nan 0.000 0.475 39 L N 5.874 126.875 121.223 -0.369 0.000 2.356 39 L HA 0.383 4.724 4.340 0.001 0.000 0.277 39 L C -0.568 176.060 176.870 -0.403 0.000 0.996 39 L CA -1.239 53.363 54.840 -0.396 0.000 0.822 39 L CB 2.050 43.847 42.059 -0.436 0.000 1.256 39 L HN 0.288 nan 8.230 nan 0.000 0.413 40 V N 2.862 122.539 119.914 -0.395 0.000 2.465 40 V HA 0.315 4.436 4.120 0.001 0.000 0.279 40 V C -0.061 175.947 176.094 -0.144 0.000 1.045 40 V CA -0.373 61.773 62.300 -0.257 0.000 0.938 40 V CB 1.506 33.169 31.823 -0.267 0.000 0.986 40 V HN 0.764 nan 8.190 nan 0.000 0.467 41 Q N 2.646 122.410 119.800 -0.060 0.000 2.348 41 Q HA 0.711 5.051 4.340 0.001 0.000 0.271 41 Q C -1.655 174.374 176.000 0.048 0.000 1.067 41 Q CA -0.612 55.180 55.803 -0.018 0.000 0.839 41 Q CB 2.497 31.236 28.738 0.001 0.000 1.354 41 Q HN 0.688 nan 8.270 nan 0.000 0.447 42 F N 3.859 123.745 119.950 -0.107 0.000 2.581 42 F HA 0.536 5.064 4.527 0.001 0.000 0.311 42 F C -1.516 174.149 175.800 -0.226 0.000 1.113 42 F CA -0.305 57.589 58.000 -0.176 0.000 0.935 42 F CB 1.563 40.445 39.000 -0.197 0.000 1.232 42 F HN 0.705 nan 8.300 nan 0.000 0.445 43 H N 2.884 121.101 119.070 -1.421 0.000 3.068 43 H HA 0.382 4.939 4.556 0.001 0.000 0.342 43 H C -2.176 172.517 175.328 -1.058 0.000 1.284 43 H CA -0.910 54.434 56.048 -1.173 0.000 1.181 43 H CB 1.749 31.131 29.762 -0.635 0.000 1.898 43 H HN 0.586 nan 8.280 nan 0.000 0.540 44 E N 2.814 122.662 120.200 -0.587 0.000 2.151 44 E HA 0.405 4.756 4.350 0.001 0.000 0.275 44 E C -2.753 173.793 176.600 -0.089 0.000 0.936 44 E CA -2.344 53.838 56.400 -0.362 0.000 0.777 44 E CB 1.609 31.255 29.700 -0.089 0.000 1.108 44 E HN 0.385 nan 8.360 nan 0.000 0.401 45 P HA 0.123 nan 4.420 nan 0.000 0.263 45 P C -0.888 176.408 177.300 -0.006 0.000 1.195 45 P CA 0.527 63.624 63.100 -0.005 0.000 0.762 45 P CB 0.388 32.087 31.700 -0.001 0.000 0.799 46 D N 0.325 120.676 120.400 -0.082 0.000 3.006 46 D HA -0.177 4.464 4.640 0.001 0.000 0.205 46 D C -0.312 175.919 176.300 -0.115 0.000 1.075 46 D CA 0.924 54.910 54.000 -0.025 0.000 1.000 46 D CB -1.770 39.093 40.800 0.106 0.000 1.097 46 D HN 0.249 nan 8.370 nan 0.000 0.426 47 I N 0.690 121.099 120.570 -0.269 0.000 2.354 47 I HA 0.416 4.587 4.170 0.001 0.000 0.292 47 I C -0.181 175.649 176.117 -0.477 0.000 0.989 47 I CA -0.350 60.858 61.300 -0.154 0.000 1.188 47 I CB 0.737 38.849 38.000 0.186 0.000 1.342 47 I HN -0.056 nan 8.210 nan 0.000 0.457 48 Y N 2.980 123.207 120.300 -0.121 0.000 2.693 48 Y HA 0.412 4.963 4.550 0.001 0.000 0.331 48 Y C 0.194 175.900 175.900 -0.324 0.000 1.092 48 Y CA -1.753 56.283 58.100 -0.106 0.000 1.131 48 Y CB 0.697 39.164 38.460 0.012 0.000 1.318 48 Y HN 0.593 nan 8.280 nan 0.000 0.510 49 N N -0.761 118.004 118.700 0.108 0.000 2.648 49 N HA -0.245 4.496 4.740 0.001 0.000 0.265 49 N C -1.733 173.788 175.510 0.018 0.000 1.100 49 N CA 0.251 53.359 53.050 0.098 0.000 0.715 49 N CB -1.695 36.847 38.487 0.090 0.000 0.881 49 N HN 0.494 nan 8.380 nan 0.000 0.548 50 Y N -0.520 119.891 120.300 0.185 0.000 2.971 50 Y HA 0.171 4.722 4.550 0.001 0.000 0.384 50 Y C 1.281 177.305 175.900 0.208 0.000 1.166 50 Y CA -0.390 57.839 58.100 0.216 0.000 1.973 50 Y CB 0.187 38.790 38.460 0.239 0.000 2.082 50 Y HN 0.325 nan 8.280 nan 0.000 0.420 51 S N 0.310 116.175 115.700 0.274 0.000 2.470 51 S HA 0.133 4.604 4.470 0.001 0.000 0.225 51 S C 1.102 175.866 174.600 0.272 0.000 1.006 51 S CA 0.310 58.672 58.200 0.269 0.000 0.934 51 S CB 0.149 63.512 63.200 0.271 0.000 0.778 51 S HN 0.467 nan 8.310 nan 0.000 0.517 52 A N 1.487 124.456 122.820 0.247 0.000 2.303 52 A HA 0.758 5.079 4.320 0.001 0.000 0.320 52 A C -0.782 176.939 177.584 0.229 0.000 1.192 52 A CA -0.520 51.656 52.037 0.232 0.000 0.821 52 A CB 0.632 19.747 19.000 0.191 0.000 1.188 52 A HN 0.345 nan 8.150 nan 0.000 0.492 53 L N 2.744 124.091 121.223 0.208 0.000 2.410 53 L HA 0.675 5.016 4.340 0.001 0.000 0.270 53 L C -1.216 175.744 176.870 0.149 0.000 0.983 53 L CA -0.782 54.160 54.840 0.170 0.000 0.822 53 L CB 2.083 44.234 42.059 0.154 0.000 1.285 53 L HN 0.677 nan 8.230 nan 0.000 0.409 54 L N 5.037 126.344 121.223 0.140 0.000 2.516 54 L HA 0.586 4.927 4.340 0.001 0.000 0.267 54 L C -1.265 175.676 176.870 0.119 0.000 0.957 54 L CA -0.466 54.469 54.840 0.159 0.000 0.860 54 L CB 1.856 44.048 42.059 0.222 0.000 1.265 54 L HN 0.432 nan 8.230 nan 0.000 0.403 55 L N 2.494 123.735 121.223 0.031 0.000 2.360 55 L HA 0.907 5.248 4.340 0.001 0.000 0.271 55 L C 0.610 177.505 176.870 0.042 0.000 1.057 55 L CA -0.180 54.617 54.840 -0.072 0.000 0.803 55 L CB 0.997 42.937 42.059 -0.198 0.000 1.207 55 L HN 0.719 nan 8.230 nan 0.000 0.445 56 S N 0.370 116.058 115.700 -0.020 0.000 2.634 56 S HA 0.190 4.661 4.470 0.001 0.000 0.254 56 S C 0.849 175.491 174.600 0.070 0.000 1.299 56 S CA -0.043 58.223 58.200 0.110 0.000 0.974 56 S CB 0.205 63.438 63.200 0.055 0.000 1.001 56 S HN 0.739 nan 8.310 nan 0.000 0.584 57 E N 1.584 121.832 120.200 0.079 0.000 2.028 57 E HA -0.174 4.177 4.350 0.001 0.000 0.191 57 E C 1.774 178.396 176.600 0.036 0.000 0.988 57 E CA 1.499 57.931 56.400 0.053 0.000 0.799 57 E CB -0.680 29.049 29.700 0.050 0.000 0.755 57 E HN 0.923 nan 8.360 nan 0.000 0.447 58 D N 1.007 121.425 120.400 0.030 0.000 2.351 58 D HA -0.190 4.451 4.640 0.001 0.000 0.216 58 D C 0.596 176.903 176.300 0.011 0.000 0.968 58 D CA 0.910 54.921 54.000 0.018 0.000 0.899 58 D CB -0.094 40.715 40.800 0.015 0.000 0.907 58 D HN 0.035 nan 8.370 nan 0.000 0.514 59 K N -0.841 119.561 120.400 0.003 0.000 3.529 59 K HA -0.157 4.164 4.320 0.001 0.000 0.313 59 K C 0.354 176.939 176.600 -0.025 0.000 1.316 59 K CA 1.451 57.737 56.287 -0.001 0.000 0.988 59 K CB -1.133 31.390 32.500 0.040 0.000 1.252 59 K HN 0.189 nan 8.250 nan 0.000 0.438 60 D N -0.392 119.982 120.400 -0.043 0.000 2.348 60 D HA 0.018 4.659 4.640 0.001 0.000 0.211 60 D C -0.032 176.183 176.300 -0.142 0.000 0.998 60 D CA 0.774 54.737 54.000 -0.060 0.000 0.873 60 D CB 0.470 41.249 40.800 -0.034 0.000 0.925 60 D HN 0.158 nan 8.370 nan 0.000 0.524 61 T N 1.529 115.951 114.554 -0.220 0.000 2.864 61 T HA 0.351 4.702 4.350 0.001 0.000 0.299 61 T C -0.494 173.843 174.700 -0.604 0.000 1.011 61 T CA -0.638 61.230 62.100 -0.386 0.000 0.975 61 T CB 1.842 70.495 68.868 -0.358 0.000 0.962 61 T HN -0.110 nan 8.240 nan 0.000 0.448 62 L N 4.671 125.559 121.223 -0.558 0.000 2.275 62 L HA 0.575 4.916 4.340 0.001 0.000 0.288 62 L C -1.430 175.152 176.870 -0.479 0.000 1.046 62 L CA -0.472 54.045 54.840 -0.539 0.000 0.805 62 L CB 0.098 41.810 42.059 -0.579 0.000 1.193 62 L HN 0.519 nan 8.230 nan 0.000 0.426 63 Y N 5.596 125.869 120.300 -0.044 0.000 2.320 63 Y HA 0.564 5.115 4.550 0.001 0.000 0.334 63 Y C -0.045 175.905 175.900 0.084 0.000 1.055 63 Y CA -0.585 57.550 58.100 0.059 0.000 1.143 63 Y CB 0.927 39.456 38.460 0.115 0.000 1.193 63 Y HN 0.423 nan 8.280 nan 0.000 0.477 64 I N 2.599 123.352 120.570 0.305 0.000 2.378 64 I HA 0.495 4.666 4.170 0.001 0.000 0.291 64 I C 0.485 176.828 176.117 0.376 0.000 0.992 64 I CA -0.607 60.896 61.300 0.338 0.000 1.154 64 I CB 1.744 39.967 38.000 0.373 0.000 1.315 64 I HN 0.827 nan 8.210 nan 0.000 0.448 65 G N 4.816 113.787 108.800 0.285 0.000 2.377 65 G HA2 0.692 4.653 3.960 0.001 0.000 0.316 65 G HA3 0.692 4.653 3.960 0.001 0.000 0.316 65 G C -0.333 174.663 174.900 0.159 0.000 1.115 65 G CA -0.175 45.039 45.100 0.191 0.000 0.952 65 G HN 0.749 nan 8.290 nan 0.000 0.441 66 A N 3.140 126.016 122.820 0.092 0.000 2.889 66 A HA 0.858 5.179 4.320 0.001 0.000 0.235 66 A C 0.443 177.940 177.584 -0.145 0.000 1.307 66 A CA -0.933 51.064 52.037 -0.066 0.000 0.917 66 A CB 0.808 19.692 19.000 -0.193 0.000 1.546 66 A HN 0.654 nan 8.150 nan 0.000 0.472 67 R N 0.252 120.596 120.500 -0.260 0.000 2.248 67 R HA 0.288 4.628 4.340 0.001 0.000 0.328 67 R C -0.596 175.580 176.300 -0.207 0.000 1.067 67 R CA 0.511 56.380 56.100 -0.385 0.000 0.924 67 R CB -0.232 29.684 30.300 -0.640 0.000 1.013 67 R HN 0.785 nan 8.270 nan 0.000 0.454 68 E N 0.407 120.495 120.200 -0.186 0.000 3.286 68 E HA -0.276 4.074 4.350 0.001 0.000 0.292 68 E C -1.078 175.564 176.600 0.070 0.000 0.928 68 E CA 0.903 57.273 56.400 -0.050 0.000 0.982 68 E CB -1.073 28.632 29.700 0.007 0.000 1.500 68 E HN 0.722 nan 8.360 nan 0.000 0.441 69 A N -0.368 122.419 122.820 -0.056 0.000 2.604 69 A HA 0.699 5.020 4.320 0.001 0.000 0.295 69 A C -0.970 176.421 177.584 -0.321 0.000 1.067 69 A CA -0.407 51.451 52.037 -0.299 0.000 0.683 69 A CB 2.135 20.786 19.000 -0.582 0.000 1.281 69 A HN 0.095 nan 8.150 nan 0.000 0.407 70 V N 1.242 120.874 119.914 -0.470 0.000 2.638 70 V HA 0.685 4.806 4.120 0.001 0.000 0.306 70 V C -1.227 174.708 176.094 -0.265 0.000 1.052 70 V CA -0.301 61.872 62.300 -0.211 0.000 0.885 70 V CB 1.259 33.075 31.823 -0.013 0.000 0.999 70 V HN 0.745 nan 8.190 nan 0.000 0.424 71 F N 1.849 121.977 119.950 0.297 0.000 2.598 71 F HA 0.891 5.419 4.527 0.001 0.000 0.327 71 F C 0.345 176.260 175.800 0.191 0.000 1.057 71 F CA -0.964 57.150 58.000 0.189 0.000 0.957 71 F CB 2.028 41.055 39.000 0.045 0.000 1.278 71 F HN 0.534 nan 8.300 nan 0.000 0.484 72 A N 1.448 124.297 122.820 0.048 0.000 2.332 72 A HA 0.766 5.087 4.320 0.001 0.000 0.300 72 A C -1.132 176.312 177.584 -0.233 0.000 1.153 72 A CA -0.685 51.328 52.037 -0.041 0.000 0.764 72 A CB 0.898 19.855 19.000 -0.072 0.000 1.174 72 A HN 0.901 nan 8.150 nan 0.000 0.467 73 V N 1.075 120.792 119.914 -0.329 0.000 2.864 73 V HA 0.542 4.662 4.120 0.001 0.000 0.314 73 V C 0.162 176.065 176.094 -0.319 0.000 1.073 73 V CA -1.117 60.950 62.300 -0.388 0.000 0.956 73 V CB 1.843 33.302 31.823 -0.608 0.000 1.023 73 V HN 0.902 nan 8.190 nan 0.000 0.435 74 N N 2.388 120.936 118.700 -0.253 0.000 2.427 74 N HA 0.138 4.879 4.740 0.001 0.000 0.269 74 N C 1.280 176.661 175.510 -0.214 0.000 1.235 74 N CA 0.388 53.316 53.050 -0.203 0.000 0.934 74 N CB 1.595 39.992 38.487 -0.150 0.000 1.121 74 N HN 1.040 nan 8.380 nan 0.000 0.480 75 A N 5.004 127.691 122.820 -0.221 0.000 2.076 75 A HA -0.115 4.206 4.320 0.001 0.000 0.220 75 A C 1.908 179.387 177.584 -0.176 0.000 1.160 75 A CA 0.743 52.660 52.037 -0.200 0.000 0.653 75 A CB -0.147 18.727 19.000 -0.210 0.000 0.801 75 A HN 0.720 nan 8.150 nan 0.000 0.455 76 L N -1.147 119.971 121.223 -0.175 0.000 2.418 76 L HA 0.089 4.430 4.340 0.001 0.000 0.218 76 L C 0.334 177.039 176.870 -0.274 0.000 1.125 76 L CA 1.098 55.812 54.840 -0.211 0.000 0.835 76 L CB -0.906 41.132 42.059 -0.036 0.000 0.953 76 L HN 0.484 nan 8.230 nan 0.000 0.454 77 N N -0.565 118.005 118.700 -0.217 0.000 2.824 77 N HA 0.055 4.796 4.740 0.001 0.000 0.224 77 N C 1.009 176.430 175.510 -0.148 0.000 1.418 77 N CA -0.082 52.869 53.050 -0.165 0.000 0.743 77 N CB 0.204 38.638 38.487 -0.088 0.000 1.395 77 N HN 0.122 nan 8.380 nan 0.000 0.548 78 I N -0.699 119.774 120.570 -0.162 0.000 2.367 78 I HA -0.277 3.894 4.170 0.001 0.000 0.256 78 I C 1.707 177.785 176.117 -0.065 0.000 1.132 78 I CA 2.008 63.222 61.300 -0.145 0.000 1.397 78 I CB -0.333 37.615 38.000 -0.087 0.000 1.074 78 I HN 0.341 nan 8.210 nan 0.000 0.435 79 S N 0.575 116.277 115.700 0.003 0.000 2.423 79 S HA -0.102 4.369 4.470 0.001 0.000 0.231 79 S C 0.927 175.554 174.600 0.045 0.000 1.014 79 S CA 0.456 58.700 58.200 0.073 0.000 0.965 79 S CB -0.775 62.433 63.200 0.015 0.000 0.785 79 S HN 0.668 nan 8.310 nan 0.000 0.495 80 E N 2.251 122.429 120.200 -0.037 0.000 2.081 80 E HA 0.156 4.507 4.350 0.001 0.000 0.270 80 E C -0.445 176.093 176.600 -0.103 0.000 1.180 80 E CA -0.123 56.238 56.400 -0.065 0.000 0.926 80 E CB 0.421 30.065 29.700 -0.093 0.000 1.035 80 E HN 0.391 nan 8.360 nan 0.000 0.418 81 K N 3.186 123.556 120.400 -0.049 0.000 2.297 81 K HA 0.032 4.353 4.320 0.001 0.000 0.286 81 K C 0.542 177.047 176.600 -0.157 0.000 1.053 81 K CA 0.140 56.385 56.287 -0.070 0.000 0.940 81 K CB 0.658 33.224 32.500 0.109 0.000 1.019 81 K HN 0.449 nan 8.250 nan 0.000 0.475 82 Q N 2.119 121.759 119.800 -0.266 0.000 2.263 82 Q HA 0.091 4.432 4.340 0.001 0.000 0.196 82 Q C 0.112 175.682 176.000 -0.717 0.000 0.965 82 Q CA 0.473 55.995 55.803 -0.469 0.000 0.851 82 Q CB 0.384 28.845 28.738 -0.463 0.000 0.948 82 Q HN 0.610 nan 8.270 nan 0.000 0.516 83 H N 0.083 118.927 119.070 -0.376 0.000 2.865 83 H HA 0.390 4.947 4.556 0.001 0.000 0.372 83 H C -0.818 174.228 175.328 -0.469 0.000 1.173 83 H CA -0.480 55.214 56.048 -0.590 0.000 1.147 83 H CB 1.913 30.872 29.762 -1.338 0.000 1.805 83 H HN 0.226 nan 8.280 nan 0.000 0.553 84 E N 0.439 120.600 120.200 -0.065 0.000 2.331 84 E HA 0.604 4.954 4.350 0.001 0.000 0.275 84 E C -1.665 175.021 176.600 0.143 0.000 0.895 84 E CA -0.979 55.452 56.400 0.051 0.000 0.753 84 E CB 2.964 32.752 29.700 0.147 0.000 1.216 84 E HN 0.213 nan 8.360 nan 0.000 0.434 85 V N 3.146 122.987 119.914 -0.121 0.000 2.851 85 V HA 0.469 4.590 4.120 0.001 0.000 0.307 85 V C -1.987 173.906 176.094 -0.336 0.000 1.129 85 V CA -0.480 61.745 62.300 -0.124 0.000 0.932 85 V CB 1.604 33.276 31.823 -0.252 0.000 1.024 85 V HN 0.752 nan 8.190 nan 0.000 0.426 86 Y N 4.391 124.762 120.300 0.118 0.000 2.567 86 Y HA 0.666 5.217 4.550 0.001 0.000 0.333 86 Y C -0.383 175.697 175.900 0.299 0.000 1.106 86 Y CA -0.359 57.830 58.100 0.147 0.000 1.157 86 Y CB 2.070 40.587 38.460 0.094 0.000 1.277 86 Y HN 0.711 nan 8.280 nan 0.000 0.490 87 W N 3.791 125.185 121.300 0.156 0.000 1.504 87 W HA 0.388 5.048 4.660 0.001 0.000 0.313 87 W C -1.542 174.969 176.519 -0.014 0.000 0.936 87 W CA -1.521 55.820 57.345 -0.006 0.000 1.471 87 W CB 0.438 29.771 29.460 -0.212 0.000 1.627 87 W HN 0.463 nan 8.180 nan 0.000 0.408 88 K N 1.797 122.368 120.400 0.285 0.000 2.185 88 K HA 0.404 4.725 4.320 0.001 0.000 0.271 88 K C 0.402 177.074 176.600 0.121 0.000 1.013 88 K CA -0.525 55.849 56.287 0.145 0.000 0.943 88 K CB 1.931 34.493 32.500 0.104 0.000 0.998 88 K HN 0.064 nan 8.250 nan 0.000 0.468 89 V N -0.014 119.933 119.914 0.055 0.000 2.498 89 V HA 0.227 4.348 4.120 0.001 0.000 0.279 89 V C 0.073 176.197 176.094 0.049 0.000 1.048 89 V CA -0.737 61.594 62.300 0.051 0.000 0.967 89 V CB 1.170 33.006 31.823 0.022 0.000 0.988 89 V HN 0.813 nan 8.190 nan 0.000 0.473 90 S N 3.833 119.564 115.700 0.051 0.000 2.573 90 S HA 0.166 4.637 4.470 0.001 0.000 0.277 90 S C 0.832 175.452 174.600 0.034 0.000 1.346 90 S CA -0.276 57.947 58.200 0.039 0.000 1.034 90 S CB 0.756 63.978 63.200 0.037 0.000 0.879 90 S HN 0.867 nan 8.310 nan 0.000 0.528 91 E N 1.702 121.919 120.200 0.027 0.000 2.106 91 E HA -0.158 4.193 4.350 0.001 0.000 0.192 91 E C 1.727 178.342 176.600 0.025 0.000 0.984 91 E CA 1.313 57.728 56.400 0.025 0.000 0.806 91 E CB -0.471 29.240 29.700 0.020 0.000 0.750 91 E HN 0.911 nan 8.360 nan 0.000 0.458 92 D N 0.624 121.038 120.400 0.023 0.000 2.219 92 D HA -0.159 4.482 4.640 0.001 0.000 0.205 92 D C 1.636 177.953 176.300 0.029 0.000 0.970 92 D CA 0.905 54.919 54.000 0.022 0.000 0.851 92 D CB -0.068 40.743 40.800 0.018 0.000 0.943 92 D HN -0.025 nan 8.370 nan 0.000 0.488 93 K N 0.350 120.771 120.400 0.036 0.000 2.186 93 K HA 0.111 4.432 4.320 0.001 0.000 0.202 93 K C 2.138 178.772 176.600 0.056 0.000 1.052 93 K CA 0.637 56.952 56.287 0.047 0.000 0.965 93 K CB 0.072 32.600 32.500 0.048 0.000 0.746 93 K HN 0.008 nan 8.250 nan 0.000 0.457 94 K N -0.312 120.118 120.400 0.050 0.000 2.025 94 K HA -0.020 4.301 4.320 0.001 0.000 0.207 94 K C 1.902 178.528 176.600 0.045 0.000 1.049 94 K CA 1.318 57.637 56.287 0.053 0.000 0.933 94 K CB -0.094 32.433 32.500 0.044 0.000 0.714 94 K HN 0.146 nan 8.250 nan 0.000 0.438 95 A N 1.123 123.963 122.820 0.033 0.000 1.968 95 A HA -0.163 4.157 4.320 0.001 0.000 0.217 95 A C 1.942 179.539 177.584 0.022 0.000 1.169 95 A CA 1.402 53.453 52.037 0.023 0.000 0.638 95 A CB -0.303 18.707 19.000 0.018 0.000 0.812 95 A HN 0.230 nan 8.150 nan 0.000 0.446 96 K N -0.468 119.950 120.400 0.030 0.000 2.026 96 K HA -0.196 4.125 4.320 0.001 0.000 0.208 96 K C 2.167 178.788 176.600 0.036 0.000 1.048 96 K CA 1.685 57.990 56.287 0.030 0.000 0.929 96 K CB -0.532 31.994 32.500 0.043 0.000 0.713 96 K HN 0.508 nan 8.250 nan 0.000 0.439 97 c N 0.612 119.246 118.600 0.057 0.000 2.429 97 c HA 0.005 4.575 4.570 0.001 0.000 0.277 97 c C 2.812 176.903 174.090 0.003 0.000 1.262 97 c CA 1.261 57.623 56.329 0.055 0.000 1.733 97 c CB -1.008 41.564 42.510 0.104 0.000 2.010 97 c HN 0.596 nan 8.230 nan 0.000 0.483 98 A N -0.109 122.718 122.820 0.012 0.000 1.930 98 A HA -0.149 4.172 4.320 0.001 0.000 0.217 98 A C 2.025 179.602 177.584 -0.012 0.000 1.175 98 A CA 1.730 53.766 52.037 -0.000 0.000 0.627 98 A CB -0.766 18.241 19.000 0.011 0.000 0.815 98 A HN 0.777 nan 8.150 nan 0.000 0.443 99 E N -0.253 119.941 120.200 -0.010 0.000 2.333 99 E HA -0.125 4.226 4.350 0.001 0.000 0.198 99 E C 0.852 177.428 176.600 -0.040 0.000 1.007 99 E CA 0.844 57.231 56.400 -0.021 0.000 0.845 99 E CB -0.054 29.637 29.700 -0.016 0.000 0.766 99 E HN 0.523 nan 8.360 nan 0.000 0.507 100 K N -0.238 120.134 120.400 -0.047 0.000 2.577 100 K HA 0.122 4.443 4.320 0.001 0.000 0.210 100 K C 0.500 177.059 176.600 -0.068 0.000 1.048 100 K CA 0.271 56.507 56.287 -0.084 0.000 1.188 100 K CB 0.696 33.138 32.500 -0.096 0.000 0.910 100 K HN 0.147 nan 8.250 nan 0.000 0.483 101 G N 1.983 110.753 108.800 -0.050 0.000 2.258 101 G HA2 -0.281 3.680 3.960 0.001 0.000 0.274 101 G HA3 -0.281 3.680 3.960 0.001 0.000 0.274 101 G C -0.075 174.799 174.900 -0.042 0.000 1.021 101 G CA 0.509 45.587 45.100 -0.038 0.000 0.798 101 G HN 0.153 nan 8.290 nan 0.000 0.507 102 K N -0.165 120.195 120.400 -0.066 0.000 2.168 102 K HA 0.565 4.885 4.320 0.001 0.000 0.239 102 K C 0.333 176.922 176.600 -0.019 0.000 0.999 102 K CA -0.599 55.636 56.287 -0.086 0.000 0.900 102 K CB 1.477 33.821 32.500 -0.260 0.000 1.111 102 K HN 0.123 nan 8.250 nan 0.000 0.452 103 S N 1.428 117.138 115.700 0.016 0.000 2.414 103 S HA 0.023 4.494 4.470 0.001 0.000 0.290 103 S C 1.142 175.776 174.600 0.057 0.000 1.160 103 S CA -0.103 58.119 58.200 0.037 0.000 1.069 103 S CB 0.060 63.286 63.200 0.043 0.000 1.012 103 S HN 0.542 nan 8.310 nan 0.000 0.510 104 K N 3.128 123.553 120.400 0.042 0.000 2.127 104 K HA -0.150 4.171 4.320 0.001 0.000 0.208 104 K C 1.026 177.659 176.600 0.056 0.000 1.047 104 K CA 1.511 57.827 56.287 0.048 0.000 0.927 104 K CB 0.038 32.558 32.500 0.032 0.000 0.716 104 K HN 0.635 nan 8.250 nan 0.000 0.450 105 Q N -1.109 118.721 119.800 0.049 0.000 2.247 105 Q HA 0.082 4.423 4.340 0.001 0.000 0.211 105 Q C 0.842 176.878 176.000 0.060 0.000 0.861 105 Q CA 0.361 56.192 55.803 0.046 0.000 0.949 105 Q CB 1.559 30.314 28.738 0.028 0.000 1.115 105 Q HN 0.275 nan 8.270 nan 0.000 0.507 106 T N 0.752 115.357 114.554 0.085 0.000 3.499 106 T HA -0.020 4.331 4.350 0.001 0.000 0.227 106 T C 1.491 176.316 174.700 0.207 0.000 0.946 106 T CA 0.377 62.549 62.100 0.121 0.000 1.368 106 T CB 0.002 68.918 68.868 0.080 0.000 1.227 106 T HN 0.301 nan 8.240 nan 0.000 0.398 107 E N 0.883 121.182 120.200 0.165 0.000 2.285 107 E HA -0.011 4.340 4.350 0.001 0.000 0.194 107 E C 0.691 177.468 176.600 0.293 0.000 0.997 107 E CA 0.618 57.131 56.400 0.189 0.000 0.845 107 E CB -0.447 29.392 29.700 0.232 0.000 0.782 107 E HN 0.316 nan 8.360 nan 0.000 0.491 108 c N 2.358 121.104 118.600 0.244 0.000 2.554 108 c HA 0.387 4.957 4.570 0.001 0.000 0.434 108 c C 0.207 174.383 174.090 0.144 0.000 1.316 108 c CA -0.444 56.014 56.329 0.214 0.000 1.671 108 c CB -2.232 40.363 42.510 0.142 0.000 2.172 108 c HN 0.284 nan 8.230 nan 0.000 0.601 109 L N 0.277 121.597 121.223 0.161 0.000 2.359 109 L HA 0.446 4.786 4.340 0.001 0.000 0.256 109 L C -0.116 176.766 176.870 0.020 0.000 1.026 109 L CA -0.601 54.277 54.840 0.064 0.000 0.828 109 L CB 1.081 43.143 42.059 0.006 0.000 1.406 109 L HN -0.115 nan 8.230 nan 0.000 0.413 110 N N 0.722 119.338 118.700 -0.140 0.000 2.605 110 N HA 0.142 4.883 4.740 0.001 0.000 0.258 110 N C -1.406 173.934 175.510 -0.284 0.000 1.156 110 N CA 0.051 52.931 53.050 -0.284 0.000 1.008 110 N CB -0.277 37.910 38.487 -0.501 0.000 1.354 110 N HN 0.289 nan 8.380 nan 0.000 0.509 111 Y N 3.553 123.659 120.300 -0.325 0.000 2.436 111 Y HA 0.195 4.746 4.550 0.002 0.000 0.343 111 Y C 0.714 176.415 175.900 -0.332 0.000 1.008 111 Y CA -0.935 57.000 58.100 -0.275 0.000 1.241 111 Y CB 0.567 38.869 38.460 -0.263 0.000 1.153 111 Y HN 0.253 nan 8.280 nan 0.000 0.521 112 I N 5.307 125.779 120.570 -0.163 0.000 2.587 112 I HA -0.034 4.137 4.170 0.001 0.000 0.284 112 I C 1.006 177.040 176.117 -0.138 0.000 1.134 112 I CA 0.431 61.627 61.300 -0.172 0.000 1.410 112 I CB 0.736 38.688 38.000 -0.081 0.000 1.392 112 I HN 0.726 nan 8.210 nan 0.000 0.545 113 R N 4.170 124.548 120.500 -0.203 0.000 2.287 113 R HA 0.260 4.600 4.340 0.001 0.000 0.197 113 R C -0.331 175.947 176.300 -0.037 0.000 0.900 113 R CA 0.380 56.322 56.100 -0.263 0.000 1.052 113 R CB 0.736 30.764 30.300 -0.453 0.000 1.117 113 R HN 0.384 nan 8.270 nan 0.000 0.568 114 V N 2.616 122.516 119.914 -0.024 0.000 2.376 114 V HA 0.331 4.452 4.120 0.001 0.000 0.287 114 V C -0.941 175.186 176.094 0.056 0.000 1.015 114 V CA -0.753 61.582 62.300 0.059 0.000 0.834 114 V CB 1.805 33.660 31.823 0.054 0.000 1.001 114 V HN -0.012 nan 8.190 nan 0.000 0.428 115 L N 5.602 126.890 121.223 0.108 0.000 2.470 115 L HA 0.593 4.934 4.340 0.001 0.000 0.253 115 L C -0.497 176.443 176.870 0.117 0.000 1.163 115 L CA 0.275 55.177 54.840 0.103 0.000 0.932 115 L CB 1.001 43.133 42.059 0.123 0.000 1.213 115 L HN 0.573 nan 8.230 nan 0.000 0.485 116 Q N 4.152 124.025 119.800 0.122 0.000 2.377 116 Q HA 0.598 4.939 4.340 0.001 0.000 0.271 116 Q C -2.677 173.372 176.000 0.082 0.000 1.077 116 Q CA -1.991 53.886 55.803 0.123 0.000 0.820 116 Q CB 2.281 31.118 28.738 0.165 0.000 1.347 116 Q HN 0.323 nan 8.270 nan 0.000 0.444 117 P HA 0.086 nan 4.420 nan 0.000 0.271 117 P C 0.010 177.314 177.300 0.007 0.000 1.220 117 P CA 0.096 63.209 63.100 0.022 0.000 0.768 117 P CB 1.128 32.852 31.700 0.039 0.000 0.848 118 L N 1.867 123.070 121.223 -0.033 0.000 2.526 118 L HA 0.098 4.439 4.340 0.001 0.000 0.210 118 L C 1.087 177.916 176.870 -0.067 0.000 1.048 118 L CA 0.810 55.606 54.840 -0.073 0.000 0.852 118 L CB 0.386 42.353 42.059 -0.152 0.000 1.128 118 L HN 0.561 nan 8.230 nan 0.000 0.482 119 S N -2.828 112.837 115.700 -0.059 0.000 2.757 119 S HA 0.470 4.941 4.470 0.001 0.000 0.285 119 S C 0.443 175.030 174.600 -0.023 0.000 1.196 119 S CA -0.069 58.109 58.200 -0.037 0.000 0.856 119 S CB 1.251 64.425 63.200 -0.043 0.000 1.212 119 S HN 0.020 nan 8.310 nan 0.000 0.516 120 A N 0.293 123.107 122.820 -0.010 0.000 1.968 120 A HA 0.179 4.500 4.320 0.001 0.000 0.217 120 A C 1.854 179.437 177.584 -0.002 0.000 1.169 120 A CA 2.041 54.081 52.037 0.005 0.000 0.638 120 A CB -1.054 17.952 19.000 0.009 0.000 0.812 120 A HN 0.919 nan 8.150 nan 0.000 0.446 121 T N -0.638 113.902 114.554 -0.022 0.000 3.134 121 T HA 0.365 4.716 4.350 0.001 0.000 0.260 121 T C 0.041 174.698 174.700 -0.072 0.000 1.027 121 T CA 0.785 62.864 62.100 -0.035 0.000 0.913 121 T CB -0.651 68.203 68.868 -0.024 0.000 1.046 121 T HN 0.760 nan 8.240 nan 0.000 0.553 122 S N 0.161 115.805 115.700 -0.094 0.000 2.567 122 S HA 0.666 5.136 4.470 0.001 0.000 0.270 122 S C -1.582 172.927 174.600 -0.151 0.000 1.152 122 S CA -1.052 57.067 58.200 -0.135 0.000 0.835 122 S CB 1.172 64.305 63.200 -0.112 0.000 1.115 122 S HN 0.180 nan 8.310 nan 0.000 0.459 123 L N 1.674 122.792 121.223 -0.175 0.000 2.341 123 L HA 0.569 4.910 4.340 0.001 0.000 0.267 123 L C -1.428 175.444 176.870 0.004 0.000 1.009 123 L CA -0.982 53.784 54.840 -0.124 0.000 0.819 123 L CB 1.846 43.764 42.059 -0.235 0.000 1.323 123 L HN 0.873 nan 8.230 nan 0.000 0.425 124 Y N 2.116 122.380 120.300 -0.061 0.000 2.385 124 Y HA 0.495 5.046 4.550 0.001 0.000 0.341 124 Y C -0.611 175.347 175.900 0.096 0.000 0.965 124 Y CA -0.615 57.499 58.100 0.022 0.000 1.180 124 Y CB 1.034 39.494 38.460 0.001 0.000 1.139 124 Y HN 0.157 nan 8.280 nan 0.000 0.502 125 V N 5.488 125.281 119.914 -0.201 0.000 2.495 125 V HA 0.468 4.589 4.120 0.001 0.000 0.298 125 V C -0.589 175.390 176.094 -0.191 0.000 1.031 125 V CA -0.879 61.379 62.300 -0.071 0.000 0.871 125 V CB 1.119 33.092 31.823 0.249 0.000 0.988 125 V HN 0.868 nan 8.190 nan 0.000 0.432 126 c N 3.254 121.729 118.600 -0.208 0.000 2.498 126 c HA 0.954 5.525 4.570 0.001 0.000 0.316 126 c C 0.693 174.559 174.090 -0.374 0.000 1.209 126 c CA -0.675 55.492 56.329 -0.270 0.000 1.518 126 c CB 1.061 43.447 42.510 -0.208 0.000 2.147 126 c HN 1.117 nan 8.230 nan 0.000 0.483 127 G N 0.587 109.031 108.800 -0.594 0.000 2.533 127 G HA2 0.550 4.510 3.960 0.001 0.000 0.304 127 G HA3 0.550 4.510 3.960 0.001 0.000 0.304 127 G C 0.706 175.289 174.900 -0.529 0.000 1.263 127 G CA 0.385 45.110 45.100 -0.625 0.000 0.964 127 G HN 0.835 nan 8.290 nan 0.000 0.479 128 T N -1.149 113.142 114.554 -0.438 0.000 2.720 128 T HA -0.175 4.175 4.350 0.001 0.000 0.268 128 T C 1.194 175.633 174.700 -0.434 0.000 1.037 128 T CA 1.463 63.287 62.100 -0.461 0.000 1.144 128 T CB -0.439 68.128 68.868 -0.501 0.000 0.864 128 T HN 1.257 nan 8.240 nan 0.000 0.444 129 N N 1.398 119.871 118.700 -0.378 0.000 2.641 129 N HA -0.285 4.456 4.740 0.001 0.000 0.267 129 N C 0.430 175.865 175.510 -0.126 0.000 1.087 129 N CA 0.736 53.610 53.050 -0.294 0.000 0.731 129 N CB -1.568 36.706 38.487 -0.356 0.000 0.886 129 N HN 1.405 nan 8.380 nan 0.000 0.547 130 A N 1.876 124.676 122.820 -0.034 0.000 2.665 130 A HA -0.209 4.111 4.320 0.001 0.000 0.301 130 A C 0.885 178.673 177.584 0.340 0.000 1.509 130 A CA 1.554 53.695 52.037 0.172 0.000 0.789 130 A CB -2.578 16.501 19.000 0.132 0.000 1.024 130 A HN 1.315 nan 8.150 nan 0.000 0.460 131 F N -3.447 116.422 119.950 -0.136 0.000 3.056 131 F HA -0.196 4.332 4.527 0.001 0.000 0.301 131 F C 0.608 176.365 175.800 -0.072 0.000 0.907 131 F CA 1.425 59.355 58.000 -0.117 0.000 1.113 131 F CB -1.729 37.135 39.000 -0.227 0.000 1.123 131 F HN 0.634 nan 8.300 nan 0.000 0.661 132 Q N -0.238 119.466 119.800 -0.159 0.000 3.484 132 Q HA 0.254 4.595 4.340 0.001 0.000 0.255 132 Q C -2.524 173.246 176.000 -0.383 0.000 0.909 132 Q CA -1.741 53.926 55.803 -0.226 0.000 0.774 132 Q CB 1.402 30.108 28.738 -0.053 0.000 1.431 132 Q HN -0.102 nan 8.270 nan 0.000 0.423 133 P HA -0.068 nan 4.420 nan 0.000 0.256 133 P C -1.073 176.043 177.300 -0.307 0.000 1.173 133 P CA 0.599 63.394 63.100 -0.509 0.000 0.768 133 P CB 0.560 31.905 31.700 -0.592 0.000 0.758 134 A N 3.484 126.152 122.820 -0.254 0.000 2.371 134 A HA 0.610 4.931 4.320 0.001 0.000 0.311 134 A C -0.495 177.073 177.584 -0.026 0.000 1.068 134 A CA -0.391 51.597 52.037 -0.081 0.000 0.744 134 A CB 0.961 20.007 19.000 0.077 0.000 1.239 134 A HN 0.520 nan 8.150 nan 0.000 0.435 135 c N 0.966 119.582 118.600 0.027 0.000 2.470 135 c HA 0.951 5.521 4.570 0.001 0.000 0.341 135 c C -0.140 173.941 174.090 -0.014 0.000 1.190 135 c CA -0.114 56.189 56.329 -0.043 0.000 1.904 135 c CB 1.544 43.974 42.510 -0.133 0.000 2.354 135 c HN 1.006 nan 8.230 nan 0.000 0.509 136 D N -1.355 118.969 120.400 -0.126 0.000 2.671 136 D HA 0.334 4.975 4.640 0.001 0.000 0.273 136 D C -1.690 174.686 176.300 0.126 0.000 1.264 136 D CA -0.387 53.526 54.000 -0.145 0.000 0.788 136 D CB 1.001 41.483 40.800 -0.529 0.000 1.324 136 D HN 0.591 nan 8.370 nan 0.000 0.424 137 H N 0.665 119.758 119.070 0.039 0.000 2.504 137 H HA 0.434 4.990 4.556 0.001 0.000 0.322 137 H C -0.556 174.801 175.328 0.047 0.000 1.055 137 H CA -0.619 55.475 56.048 0.077 0.000 1.231 137 H CB 1.010 30.808 29.762 0.060 0.000 1.417 137 H HN 0.150 nan 8.280 nan 0.000 0.472 138 L N 3.925 125.170 121.223 0.037 0.000 2.283 138 L HA 0.201 4.542 4.340 0.001 0.000 0.287 138 L C 0.335 176.996 176.870 -0.348 0.000 1.073 138 L CA -0.281 54.322 54.840 -0.396 0.000 0.822 138 L CB 0.169 41.798 42.059 -0.717 0.000 1.186 138 L HN 0.535 nan 8.230 nan 0.000 0.436 139 N N 5.238 123.748 118.700 -0.317 0.000 2.416 139 N HA 0.012 4.752 4.740 0.001 0.000 0.265 139 N C 0.845 176.195 175.510 -0.265 0.000 1.195 139 N CA 0.207 53.129 53.050 -0.213 0.000 0.943 139 N CB 0.656 39.057 38.487 -0.143 0.000 1.115 139 N HN 0.850 nan 8.380 nan 0.000 0.481 140 L N 2.631 123.733 121.223 -0.202 0.000 2.141 140 L HA -0.156 4.185 4.340 0.001 0.000 0.209 140 L C 2.271 179.100 176.870 -0.068 0.000 1.094 140 L CA 1.371 56.136 54.840 -0.124 0.000 0.763 140 L CB -0.531 41.479 42.059 -0.081 0.000 0.908 140 L HN 0.619 nan 8.230 nan 0.000 0.437 141 T N -4.916 109.597 114.554 -0.068 0.000 2.915 141 T HA -0.144 4.207 4.350 0.001 0.000 0.269 141 T C 1.908 176.575 174.700 -0.054 0.000 1.071 141 T CA 1.395 63.465 62.100 -0.049 0.000 1.132 141 T CB -0.012 68.840 68.868 -0.028 0.000 0.878 141 T HN 0.213 nan 8.240 nan 0.000 0.479 142 S N -0.672 114.989 115.700 -0.064 0.000 2.539 142 S HA 0.309 4.780 4.470 0.001 0.000 0.226 142 S C 0.416 175.016 174.600 -0.000 0.000 1.054 142 S CA -0.513 57.664 58.200 -0.038 0.000 0.910 142 S CB -0.593 62.577 63.200 -0.050 0.000 0.818 142 S HN 0.465 nan 8.310 nan 0.000 0.490 143 F N 1.501 121.291 119.950 -0.266 0.000 3.040 143 F HA -0.159 4.369 4.527 0.001 0.000 0.298 143 F C -0.304 175.318 175.800 -0.297 0.000 0.948 143 F CA 0.633 58.447 58.000 -0.310 0.000 1.022 143 F CB -0.817 38.011 39.000 -0.286 0.000 1.023 143 F HN 0.132 nan 8.300 nan 0.000 0.742 144 K N 0.635 120.823 120.400 -0.353 0.000 2.464 144 K HA 0.453 4.774 4.320 0.001 0.000 0.253 144 K C -0.498 175.870 176.600 -0.387 0.000 0.933 144 K CA -0.844 55.270 56.287 -0.288 0.000 0.801 144 K CB 1.720 34.149 32.500 -0.118 0.000 1.271 144 K HN -0.034 nan 8.250 nan 0.000 0.430 145 F N 2.144 121.952 119.950 -0.238 0.000 2.429 145 F HA 0.115 4.643 4.527 0.001 0.000 0.348 145 F C 1.674 177.328 175.800 -0.245 0.000 1.109 145 F CA -0.337 57.485 58.000 -0.298 0.000 1.232 145 F CB 0.663 39.389 39.000 -0.456 0.000 1.157 145 F HN 0.385 nan 8.300 nan 0.000 0.564 146 L N 2.777 123.999 121.223 -0.003 0.000 2.552 146 L HA 0.119 4.460 4.340 0.001 0.000 0.227 146 L C 1.639 178.440 176.870 -0.115 0.000 1.146 146 L CA 0.652 55.455 54.840 -0.061 0.000 0.858 146 L CB -0.722 41.313 42.059 -0.040 0.000 0.969 146 L HN 1.041 nan 8.230 nan 0.000 0.451 147 G N -0.169 108.527 108.800 -0.174 0.000 2.198 147 G HA2 -0.301 3.660 3.960 0.001 0.000 0.260 147 G HA3 -0.301 3.660 3.960 0.001 0.000 0.260 147 G C 1.084 175.864 174.900 -0.201 0.000 1.025 147 G CA 0.329 45.298 45.100 -0.219 0.000 0.769 147 G HN 0.214 nan 8.290 nan 0.000 0.507 148 K N 0.433 120.696 120.400 -0.229 0.000 2.211 148 K HA -0.099 4.222 4.320 0.001 0.000 0.204 148 K C 1.308 177.807 176.600 -0.167 0.000 1.047 148 K CA 0.649 56.800 56.287 -0.226 0.000 0.935 148 K CB -0.307 31.970 32.500 -0.372 0.000 0.728 148 K HN 0.664 nan 8.250 nan 0.000 0.452 149 N N 2.364 120.956 118.700 -0.180 0.000 2.678 149 N HA -0.186 4.555 4.740 0.001 0.000 0.268 149 N C -1.156 174.319 175.510 -0.059 0.000 1.010 149 N CA 0.608 53.589 53.050 -0.115 0.000 0.784 149 N CB -0.585 37.838 38.487 -0.107 0.000 0.905 149 N HN 0.390 nan 8.380 nan 0.000 0.552 150 E N 0.341 120.518 120.200 -0.039 0.000 2.343 150 E HA 0.083 4.434 4.350 0.001 0.000 0.269 150 E C -0.220 176.379 176.600 -0.002 0.000 1.047 150 E CA -0.631 55.767 56.400 -0.004 0.000 0.874 150 E CB 0.670 30.402 29.700 0.053 0.000 1.033 150 E HN 0.205 nan 8.360 nan 0.000 0.409 151 D N 1.697 122.093 120.400 -0.006 0.000 2.352 151 D HA 0.082 4.723 4.640 0.001 0.000 0.245 151 D C 0.607 176.893 176.300 -0.024 0.000 1.224 151 D CA -0.152 53.830 54.000 -0.030 0.000 0.879 151 D CB 0.653 41.438 40.800 -0.025 0.000 1.057 151 D HN 0.572 nan 8.370 nan 0.000 0.491 152 G N 3.969 112.729 108.800 -0.067 0.000 3.155 152 G HA2 -0.125 3.836 3.960 0.001 0.000 0.213 152 G HA3 -0.125 3.836 3.960 0.001 0.000 0.213 152 G C 0.750 175.603 174.900 -0.079 0.000 1.196 152 G CA -0.331 44.734 45.100 -0.058 0.000 0.846 152 G HN 0.434 nan 8.290 nan 0.000 0.516 153 K N 0.715 121.065 120.400 -0.082 0.000 2.395 153 K HA 0.339 4.659 4.320 0.001 0.000 0.283 153 K C 1.345 178.010 176.600 0.107 0.000 1.068 153 K CA 0.778 57.046 56.287 -0.032 0.000 1.039 153 K CB -0.166 32.308 32.500 -0.043 0.000 0.924 153 K HN 0.229 nan 8.250 nan 0.000 0.468 154 G N 4.318 113.231 108.800 0.190 0.000 2.313 154 G HA2 -0.251 3.710 3.960 0.001 0.000 0.215 154 G HA3 -0.251 3.710 3.960 0.001 0.000 0.215 154 G C 1.055 176.043 174.900 0.146 0.000 1.023 154 G CA 0.112 45.383 45.100 0.285 0.000 0.626 154 G HN 0.656 nan 8.290 nan 0.000 0.503 155 R N -0.781 119.783 120.500 0.107 0.000 2.156 155 R HA 0.417 4.757 4.340 0.001 0.000 0.207 155 R C 0.764 177.112 176.300 0.081 0.000 1.040 155 R CA 1.137 57.299 56.100 0.104 0.000 1.013 155 R CB 0.315 30.692 30.300 0.128 0.000 0.931 155 R HN 0.428 nan 8.270 nan 0.000 0.465 156 C N 1.366 120.680 119.300 0.023 0.000 2.698 156 C HA 0.547 5.008 4.460 0.001 0.000 0.309 156 C C -2.491 172.475 174.990 -0.040 0.000 1.186 156 C CA -2.604 56.386 59.018 -0.046 0.000 1.474 156 C CB 1.853 29.502 27.740 -0.152 0.000 2.020 156 C HN 0.166 nan 8.230 nan 0.000 0.474 157 P HA 0.224 nan 4.420 nan 0.000 0.274 157 P C 0.178 177.414 177.300 -0.108 0.000 1.237 157 P CA 0.121 63.264 63.100 0.072 0.000 0.793 157 P CB 0.598 32.359 31.700 0.103 0.000 0.977 158 F N -0.891 118.896 119.950 -0.271 0.000 2.219 158 F HA 0.021 4.549 4.527 0.001 0.000 0.294 158 F C 1.509 176.564 175.800 -1.242 0.000 1.086 158 F CA 0.881 58.558 58.000 -0.538 0.000 1.330 158 F CB 0.106 38.919 39.000 -0.313 0.000 1.047 158 F HN 0.191 nan 8.300 nan 0.000 0.495 159 D N 0.391 120.206 120.400 -0.974 0.000 2.225 159 D HA 0.140 4.781 4.640 0.001 0.000 0.248 159 D C -1.960 173.872 176.300 -0.779 0.000 1.096 159 D CA -1.973 51.321 54.000 -1.176 0.000 0.863 159 D CB 1.682 41.770 40.800 -1.188 0.000 1.156 159 D HN -0.089 nan 8.370 nan 0.000 0.450 160 P HA 0.016 nan 4.420 nan 0.000 0.234 160 P C 0.467 177.539 177.300 -0.380 0.000 1.167 160 P CA 0.447 63.092 63.100 -0.758 0.000 0.763 160 P CB 0.381 31.190 31.700 -1.484 0.000 0.835 161 A N -1.637 121.027 122.820 -0.261 0.000 1.997 161 A HA -0.002 4.319 4.320 0.001 0.000 0.212 161 A C 0.819 178.494 177.584 0.151 0.000 1.178 161 A CA 0.426 52.440 52.037 -0.038 0.000 0.698 161 A CB -1.002 17.988 19.000 -0.017 0.000 0.842 161 A HN 0.145 nan 8.150 nan 0.000 0.458 162 H N 1.440 120.526 119.070 0.027 0.000 2.790 162 H HA 0.295 4.852 4.556 0.002 0.000 0.358 162 H C 0.952 176.443 175.328 0.271 0.000 1.103 162 H CA -0.222 55.898 56.048 0.119 0.000 1.426 162 H CB 0.553 30.371 29.762 0.093 0.000 1.424 162 H HN 0.400 nan 8.280 nan 0.000 0.599 163 S N 2.547 118.477 115.700 0.383 0.000 2.584 163 S HA 0.404 4.875 4.470 0.001 0.000 0.270 163 S C -0.522 174.390 174.600 0.520 0.000 1.346 163 S CA -0.445 57.971 58.200 0.359 0.000 1.018 163 S CB 0.177 63.527 63.200 0.250 0.000 0.899 163 S HN 0.713 nan 8.310 nan 0.000 0.542 164 Y N -2.911 117.568 120.300 0.299 0.000 2.573 164 Y HA 0.710 5.261 4.550 0.001 0.000 0.328 164 Y C -0.795 175.241 175.900 0.227 0.000 1.170 164 Y CA -0.976 57.263 58.100 0.232 0.000 1.078 164 Y CB 1.043 39.592 38.460 0.147 0.000 1.341 164 Y HN 0.757 nan 8.280 nan 0.000 0.459 165 T N 2.220 116.889 114.554 0.192 0.000 2.956 165 T HA 0.728 5.079 4.350 0.001 0.000 0.312 165 T C -1.582 173.212 174.700 0.157 0.000 1.151 165 T CA -0.172 62.011 62.100 0.139 0.000 1.024 165 T CB 1.357 70.323 68.868 0.163 0.000 1.140 165 T HN 1.389 nan 8.240 nan 0.000 0.473 166 S N 2.110 117.880 115.700 0.116 0.000 2.541 166 S HA 0.804 5.274 4.470 0.001 0.000 0.271 166 S C -1.623 172.995 174.600 0.030 0.000 1.133 166 S CA -0.718 57.554 58.200 0.120 0.000 0.876 166 S CB 1.785 65.094 63.200 0.182 0.000 1.105 166 S HN 0.873 nan 8.310 nan 0.000 0.470 167 V N 3.985 123.920 119.914 0.034 0.000 2.623 167 V HA 0.726 4.847 4.120 0.001 0.000 0.304 167 V C -1.093 175.061 176.094 0.100 0.000 1.054 167 V CA -0.701 61.589 62.300 -0.016 0.000 0.882 167 V CB 1.854 33.562 31.823 -0.192 0.000 1.002 167 V HN 1.128 nan 8.190 nan 0.000 0.424 168 M N 7.880 127.531 119.600 0.085 0.000 2.120 168 M HA 0.615 5.096 4.480 0.001 0.000 0.354 168 M C -1.290 175.059 176.300 0.082 0.000 1.287 168 M CA 0.248 55.613 55.300 0.108 0.000 1.103 168 M CB 0.980 33.625 32.600 0.075 0.000 1.623 168 M HN 0.434 nan 8.290 nan 0.000 0.471 169 V N 5.450 125.452 119.914 0.147 0.000 2.483 169 V HA 0.347 4.468 4.120 0.001 0.000 0.297 169 V C -0.599 175.577 176.094 0.137 0.000 1.027 169 V CA -0.811 61.538 62.300 0.082 0.000 0.855 169 V CB 1.576 33.353 31.823 -0.076 0.000 0.995 169 V HN 0.909 nan 8.190 nan 0.000 0.424 170 D N 3.834 124.276 120.400 0.071 0.000 2.686 170 D HA -0.185 4.456 4.640 0.001 0.000 0.235 170 D C 1.342 177.677 176.300 0.058 0.000 1.160 170 D CA 1.720 55.756 54.000 0.060 0.000 0.645 170 D CB -1.123 39.714 40.800 0.062 0.000 1.039 170 D HN 1.516 nan 8.370 nan 0.000 0.423 171 G N -0.172 108.651 108.800 0.037 0.000 2.225 171 G HA2 -0.341 3.620 3.960 0.001 0.000 0.267 171 G HA3 -0.341 3.620 3.960 0.001 0.000 0.267 171 G C -0.007 174.885 174.900 -0.013 0.000 1.024 171 G CA 0.714 45.811 45.100 -0.004 0.000 0.784 171 G HN 0.539 nan 8.290 nan 0.000 0.507 172 E N -1.151 119.076 120.200 0.045 0.000 2.246 172 E HA 0.533 4.884 4.350 0.001 0.000 0.266 172 E C -0.528 176.120 176.600 0.079 0.000 0.880 172 E CA -0.999 55.417 56.400 0.026 0.000 0.762 172 E CB 1.691 31.431 29.700 0.066 0.000 1.180 172 E HN 0.147 nan 8.360 nan 0.000 0.416 173 L N 4.298 125.505 121.223 -0.027 0.000 2.313 173 L HA 0.268 4.609 4.340 0.001 0.000 0.282 173 L C -1.427 175.499 176.870 0.093 0.000 1.092 173 L CA 0.114 54.998 54.840 0.074 0.000 0.831 173 L CB 0.007 42.101 42.059 0.058 0.000 1.159 173 L HN 0.509 nan 8.230 nan 0.000 0.442 174 Y N 3.887 124.276 120.300 0.148 0.000 2.385 174 Y HA 0.459 5.010 4.550 0.001 0.000 0.341 174 Y C 0.422 176.494 175.900 0.287 0.000 0.965 174 Y CA -0.175 58.085 58.100 0.268 0.000 1.180 174 Y CB 1.598 40.225 38.460 0.278 0.000 1.139 174 Y HN 0.626 nan 8.280 nan 0.000 0.502 175 S N 2.862 118.781 115.700 0.365 0.000 2.526 175 S HA 0.846 5.317 4.470 0.001 0.000 0.293 175 S C -0.472 174.161 174.600 0.054 0.000 1.092 175 S CA -0.608 57.736 58.200 0.239 0.000 0.980 175 S CB 1.481 64.770 63.200 0.148 0.000 1.048 175 S HN 0.831 nan 8.310 nan 0.000 0.483 176 G N 1.717 110.471 108.800 -0.077 0.000 2.605 176 G HA2 0.614 4.575 3.960 0.001 0.000 0.304 176 G HA3 0.614 4.575 3.960 0.001 0.000 0.304 176 G C -0.484 173.905 174.900 -0.852 0.000 1.333 176 G CA -0.325 44.263 45.100 -0.855 0.000 0.973 176 G HN 0.937 nan 8.290 nan 0.000 0.507 177 T N -0.037 114.163 114.554 -0.590 0.000 2.663 177 T HA 0.604 4.954 4.350 0.001 0.000 0.302 177 T C -0.279 174.546 174.700 0.208 0.000 1.523 177 T CA 0.285 62.426 62.100 0.069 0.000 1.011 177 T CB 0.723 69.695 68.868 0.173 0.000 1.841 177 T HN 1.185 nan 8.240 nan 0.000 0.462 178 S N 0.479 116.317 115.700 0.230 0.000 2.585 178 S HA 0.438 4.909 4.470 0.001 0.000 0.277 178 S C 0.158 174.893 174.600 0.224 0.000 1.241 178 S CA -0.447 57.856 58.200 0.171 0.000 1.041 178 S CB 1.018 64.254 63.200 0.061 0.000 0.987 178 S HN 0.693 nan 8.310 nan 0.000 0.512 179 Y N 2.806 123.106 120.300 0.001 0.000 2.511 179 Y HA 0.208 4.758 4.550 0.002 0.000 0.279 179 Y C 0.216 176.135 175.900 0.031 0.000 1.157 179 Y CA 0.092 58.196 58.100 0.007 0.000 1.300 179 Y CB -0.195 38.199 38.460 -0.111 0.000 1.052 179 Y HN 0.941 nan 8.280 nan 0.000 0.529 180 N N -2.853 115.770 118.700 -0.129 0.000 2.972 180 N HA 0.048 4.789 4.740 0.001 0.000 0.262 180 N C 0.251 175.278 175.510 -0.805 0.000 1.478 180 N CA -0.722 52.010 53.050 -0.530 0.000 0.841 180 N CB -0.477 37.820 38.487 -0.317 0.000 1.512 180 N HN -0.053 nan 8.380 nan 0.000 0.548 181 F N 0.195 119.380 119.950 -1.275 0.000 2.069 181 F HA 0.083 4.611 4.527 0.001 0.000 0.298 181 F C 1.597 177.341 175.800 -0.094 0.000 1.113 181 F CA 1.449 58.996 58.000 -0.755 0.000 1.214 181 F CB 0.060 38.785 39.000 -0.457 0.000 0.978 181 F HN 0.389 nan 8.300 nan 0.000 0.474 182 L N -0.330 121.039 121.223 0.243 0.000 2.395 182 L HA 0.131 4.472 4.340 0.001 0.000 0.218 182 L C 1.632 178.648 176.870 0.243 0.000 1.130 182 L CA 0.648 55.648 54.840 0.266 0.000 0.826 182 L CB -1.159 40.985 42.059 0.141 0.000 0.941 182 L HN 0.428 nan 8.230 nan 0.000 0.451 183 G N 0.512 109.399 108.800 0.146 0.000 2.198 183 G HA2 -0.310 3.651 3.960 0.001 0.000 0.257 183 G HA3 -0.310 3.651 3.960 0.001 0.000 0.257 183 G C 0.961 175.813 174.900 -0.080 0.000 1.042 183 G CA 0.595 45.597 45.100 -0.164 0.000 0.791 183 G HN 0.488 nan 8.290 nan 0.000 0.502 184 S N -1.516 114.178 115.700 -0.011 0.000 2.470 184 S HA 0.235 4.706 4.470 0.001 0.000 0.222 184 S C 0.696 175.310 174.600 0.023 0.000 1.024 184 S CA 0.920 59.144 58.200 0.040 0.000 0.931 184 S CB 0.480 63.726 63.200 0.077 0.000 0.791 184 S HN 0.581 nan 8.310 nan 0.000 0.513 185 E N 3.575 123.697 120.200 -0.129 0.000 2.092 185 E HA 0.393 4.744 4.350 0.001 0.000 0.271 185 E C -2.650 173.875 176.600 -0.126 0.000 0.919 185 E CA -2.941 53.230 56.400 -0.383 0.000 0.760 185 E CB 1.437 30.799 29.700 -0.563 0.000 1.106 185 E HN 0.324 nan 8.360 nan 0.000 0.408 186 P HA 0.331 nan 4.420 nan 0.000 0.278 186 P C -0.637 176.680 177.300 0.028 0.000 1.266 186 P CA -0.430 62.727 63.100 0.096 0.000 0.807 186 P CB 1.506 33.294 31.700 0.147 0.000 1.094 187 I N 0.078 120.674 120.570 0.043 0.000 2.731 187 I HA 0.352 4.523 4.170 0.001 0.000 0.289 187 I C -1.492 174.482 176.117 -0.238 0.000 1.399 187 I CA -0.859 60.377 61.300 -0.106 0.000 1.048 187 I CB 1.413 39.335 38.000 -0.129 0.000 1.345 187 I HN 0.146 nan 8.210 nan 0.000 0.425 188 I N 7.072 127.492 120.570 -0.251 0.000 2.354 188 I HA 0.447 4.618 4.170 0.001 0.000 0.286 188 I C -0.271 175.872 176.117 0.044 0.000 1.007 188 I CA -0.077 60.994 61.300 -0.382 0.000 1.167 188 I CB 1.688 39.242 38.000 -0.743 0.000 1.320 188 I HN 0.617 nan 8.210 nan 0.000 0.458 189 S N 6.457 122.198 115.700 0.069 0.000 2.618 189 S HA 0.658 5.129 4.470 0.001 0.000 0.277 189 S C -0.869 173.812 174.600 0.135 0.000 1.138 189 S CA -0.993 57.278 58.200 0.118 0.000 0.844 189 S CB 2.497 65.645 63.200 -0.087 0.000 1.127 189 S HN 0.635 nan 8.310 nan 0.000 0.474 190 R N 1.469 121.920 120.500 -0.081 0.000 2.409 190 R HA 0.338 4.679 4.340 0.001 0.000 0.313 190 R C -0.727 175.437 176.300 -0.227 0.000 0.953 190 R CA -0.344 55.602 56.100 -0.257 0.000 0.849 190 R CB 0.811 30.842 30.300 -0.448 0.000 1.171 190 R HN 0.890 nan 8.270 nan 0.000 0.458 191 N N 3.356 121.963 118.700 -0.155 0.000 2.555 191 N HA -0.035 4.705 4.740 0.001 0.000 0.244 191 N C -0.229 175.211 175.510 -0.116 0.000 1.114 191 N CA -0.011 52.978 53.050 -0.101 0.000 0.963 191 N CB 1.145 39.610 38.487 -0.037 0.000 1.276 191 N HN 0.528 nan 8.380 nan 0.000 0.510 192 S N 2.442 118.079 115.700 -0.105 0.000 2.506 192 S HA -0.011 4.460 4.470 0.001 0.000 0.230 192 S C 1.078 175.681 174.600 0.005 0.000 1.066 192 S CA 1.049 59.233 58.200 -0.028 0.000 0.940 192 S CB -0.274 62.913 63.200 -0.022 0.000 0.818 192 S HN 0.779 nan 8.310 nan 0.000 0.518 193 S N -0.508 115.149 115.700 -0.073 0.000 1.620 193 S HA -0.299 4.171 4.470 0.001 0.000 0.239 193 S C 0.898 175.399 174.600 -0.165 0.000 0.823 193 S CA 1.980 60.088 58.200 -0.153 0.000 1.359 193 S CB -2.178 60.875 63.200 -0.245 0.000 1.678 193 S HN 0.843 nan 8.310 nan 0.000 0.521 194 H N 0.405 119.446 119.070 -0.050 0.000 2.276 194 H HA 0.485 5.042 4.556 0.001 0.000 0.307 194 H C 1.353 176.649 175.328 -0.054 0.000 1.061 194 H CA 1.319 57.343 56.048 -0.040 0.000 1.336 194 H CB -0.147 29.600 29.762 -0.026 0.000 1.396 194 H HN 0.247 nan 8.280 nan 0.000 0.503 195 S N 1.698 117.452 115.700 0.090 0.000 2.130 195 S HA 0.280 4.751 4.470 0.001 0.000 0.165 195 S C -2.762 171.773 174.600 -0.108 0.000 1.677 195 S CA -1.419 56.770 58.200 -0.019 0.000 1.227 195 S CB 0.041 63.233 63.200 -0.015 0.000 1.115 195 S HN 0.022 nan 8.310 nan 0.000 0.452 196 P HA 0.340 nan 4.420 nan 0.000 0.271 196 P C -0.996 176.105 177.300 -0.331 0.000 1.220 196 P CA -0.176 62.797 63.100 -0.211 0.000 0.768 196 P CB 0.609 32.214 31.700 -0.158 0.000 0.848 197 L N 3.618 124.524 121.223 -0.528 0.000 2.422 197 L HA 0.676 5.016 4.340 0.001 0.000 0.264 197 L C 0.322 176.602 176.870 -0.983 0.000 0.984 197 L CA -0.801 53.526 54.840 -0.855 0.000 0.819 197 L CB 2.572 43.832 42.059 -1.332 0.000 1.330 197 L HN 0.443 nan 8.230 nan 0.000 0.410 198 R N -0.441 119.535 120.500 -0.874 0.000 2.817 198 R HA 0.733 5.073 4.340 0.001 0.000 0.268 198 R C -0.718 175.319 176.300 -0.439 0.000 1.027 198 R CA -0.734 55.017 56.100 -0.582 0.000 0.928 198 R CB 1.517 31.567 30.300 -0.418 0.000 1.228 198 R HN 0.544 nan 8.270 nan 0.000 0.469 199 T N -1.197 113.279 114.554 -0.130 0.000 2.754 199 T HA 0.230 4.581 4.350 0.001 0.000 0.286 199 T C 0.061 174.404 174.700 -0.595 0.000 0.997 199 T CA -0.790 61.216 62.100 -0.156 0.000 0.982 199 T CB 0.687 69.509 68.868 -0.076 0.000 1.027 199 T HN 0.484 nan 8.240 nan 0.000 0.529 200 E N 0.318 119.792 120.200 -1.212 0.000 2.343 200 E HA 0.123 4.474 4.350 0.001 0.000 0.269 200 E C -1.044 175.306 176.600 -0.416 0.000 1.047 200 E CA -0.427 55.378 56.400 -0.993 0.000 0.874 200 E CB 0.711 29.455 29.700 -1.593 0.000 1.033 200 E HN 0.680 nan 8.360 nan 0.000 0.409 201 Y N 1.865 121.943 120.300 -0.370 0.000 2.736 201 Y HA 0.399 4.950 4.550 0.002 0.000 0.339 201 Y C -0.974 174.845 175.900 -0.136 0.000 1.301 201 Y CA -1.193 56.788 58.100 -0.197 0.000 1.676 201 Y CB -0.505 37.867 38.460 -0.146 0.000 1.725 201 Y HN 0.376 nan 8.280 nan 0.000 0.466 202 A N 4.198 126.969 122.820 -0.082 0.000 2.455 202 A HA 0.442 4.763 4.320 0.001 0.000 0.300 202 A C 0.530 178.184 177.584 0.116 0.000 1.040 202 A CA -0.684 51.323 52.037 -0.050 0.000 0.697 202 A CB 0.656 19.643 19.000 -0.021 0.000 1.265 202 A HN 0.534 nan 8.150 nan 0.000 0.407 203 I N 1.622 122.241 120.570 0.082 0.000 2.145 203 I HA -0.202 3.969 4.170 0.001 0.000 0.244 203 I C -0.695 175.532 176.117 0.182 0.000 1.075 203 I CA 2.187 63.561 61.300 0.123 0.000 1.332 203 I CB -0.620 37.438 38.000 0.097 0.000 1.033 203 I HN 0.559 nan 8.210 nan 0.000 0.410 204 P HA -0.190 nan 4.420 nan 0.000 0.216 204 P C 1.071 178.526 177.300 0.259 0.000 1.153 204 P CA 1.581 64.847 63.100 0.276 0.000 0.858 204 P CB -0.132 31.848 31.700 0.466 0.000 0.789 205 W N -0.608 120.786 121.300 0.157 0.000 2.381 205 W HA 0.085 4.746 4.660 0.001 0.000 0.321 205 W C 0.774 177.433 176.519 0.232 0.000 1.196 205 W CA 1.041 58.523 57.345 0.227 0.000 1.304 205 W CB -0.849 28.633 29.460 0.037 0.000 1.166 205 W HN -0.200 nan 8.180 nan 0.000 0.473 206 L N 0.513 121.955 121.223 0.366 0.000 2.470 206 L HA 0.265 4.606 4.340 0.001 0.000 0.268 206 L C -0.772 176.210 176.870 0.185 0.000 0.964 206 L CA -0.717 54.272 54.840 0.248 0.000 0.839 206 L CB 1.706 43.848 42.059 0.138 0.000 1.276 206 L HN -0.235 nan 8.230 nan 0.000 0.403 207 N N 3.117 121.913 118.700 0.160 0.000 2.746 207 N HA 0.228 4.969 4.740 0.001 0.000 0.250 207 N C -0.846 174.721 175.510 0.095 0.000 1.146 207 N CA -0.295 52.822 53.050 0.111 0.000 0.828 207 N CB 0.464 38.996 38.487 0.075 0.000 1.158 207 N HN 0.602 nan 8.380 nan 0.000 0.519 208 E N 0.126 120.373 120.200 0.078 0.000 2.246 208 E HA -0.158 4.193 4.350 0.001 0.000 0.211 208 E C -2.330 174.274 176.600 0.005 0.000 1.278 208 E CA 0.108 56.535 56.400 0.045 0.000 0.694 208 E CB -0.881 28.853 29.700 0.056 0.000 1.166 208 E HN 0.526 nan 8.360 nan 0.000 0.370 209 P HA 0.184 nan 4.420 nan 0.000 0.276 209 P C -0.523 176.558 177.300 -0.365 0.000 1.244 209 P CA -0.366 62.598 63.100 -0.227 0.000 0.801 209 P CB 1.373 32.683 31.700 -0.650 0.000 1.006 210 S N 0.891 116.420 115.700 -0.285 0.000 2.664 210 S HA 0.456 4.926 4.470 0.001 0.000 0.262 210 S C -0.692 173.852 174.600 -0.093 0.000 1.229 210 S CA -0.377 57.732 58.200 -0.152 0.000 1.151 210 S CB -0.623 62.584 63.200 0.011 0.000 1.054 210 S HN 0.150 nan 8.310 nan 0.000 0.483 211 F N 2.071 122.131 119.950 0.183 0.000 2.529 211 F HA 0.157 4.685 4.527 0.001 0.000 0.365 211 F C 1.366 177.271 175.800 0.176 0.000 1.102 211 F CA 0.057 58.189 58.000 0.220 0.000 1.271 211 F CB 0.500 39.603 39.000 0.171 0.000 1.120 211 F HN 0.297 nan 8.300 nan 0.000 0.579 212 V N 2.387 122.562 119.914 0.434 0.000 3.090 212 V HA 0.253 4.374 4.120 0.001 0.000 0.237 212 V C -0.681 175.630 176.094 0.362 0.000 1.209 212 V CA 0.175 62.654 62.300 0.298 0.000 1.209 212 V CB 0.647 32.613 31.823 0.238 0.000 0.971 212 V HN 0.634 nan 8.190 nan 0.000 0.477 213 F N -0.609 119.496 119.950 0.258 0.000 2.703 213 F HA 0.740 5.268 4.527 0.001 0.000 0.308 213 F C -1.127 174.819 175.800 0.243 0.000 1.126 213 F CA -0.252 57.852 58.000 0.173 0.000 0.959 213 F CB 1.331 40.346 39.000 0.025 0.000 1.297 213 F HN -0.025 nan 8.300 nan 0.000 0.441 214 A N 3.394 125.646 122.820 -0.946 0.000 2.549 214 A HA 0.718 5.038 4.320 0.001 0.000 0.297 214 A C -2.094 174.824 177.584 -1.110 0.000 1.061 214 A CA -0.379 51.092 52.037 -0.943 0.000 0.690 214 A CB 1.907 20.237 19.000 -1.117 0.000 1.287 214 A HN 0.750 nan 8.150 nan 0.000 0.402 215 D N -0.283 119.755 120.400 -0.603 0.000 2.648 215 D HA 0.362 5.003 4.640 0.001 0.000 0.244 215 D C -1.589 174.640 176.300 -0.118 0.000 1.244 215 D CA -0.091 53.738 54.000 -0.285 0.000 0.772 215 D CB 2.250 43.034 40.800 -0.027 0.000 1.379 215 D HN 0.749 nan 8.370 nan 0.000 0.428 216 V N 2.815 122.672 119.914 -0.095 0.000 2.465 216 V HA 0.455 4.576 4.120 0.001 0.000 0.279 216 V C -0.516 175.608 176.094 0.049 0.000 1.045 216 V CA -0.341 61.924 62.300 -0.058 0.000 0.938 216 V CB 0.786 32.537 31.823 -0.120 0.000 0.986 216 V HN 0.394 nan 8.190 nan 0.000 0.467 217 I N 8.233 128.881 120.570 0.130 0.000 2.337 217 I HA 0.474 4.645 4.170 0.001 0.000 0.285 217 I C 0.517 176.683 176.117 0.081 0.000 1.041 217 I CA -0.324 61.051 61.300 0.125 0.000 1.199 217 I CB 0.917 39.042 38.000 0.209 0.000 1.370 217 I HN 0.619 nan 8.210 nan 0.000 0.470 218 R N 4.837 125.358 120.500 0.036 0.000 2.641 218 R HA 0.247 4.588 4.340 0.001 0.000 0.269 218 R C 0.576 176.894 176.300 0.030 0.000 1.074 218 R CA -0.648 55.467 56.100 0.024 0.000 1.133 218 R CB 0.888 31.194 30.300 0.010 0.000 1.029 218 R HN 0.465 nan 8.270 nan 0.000 0.488 227 E N 1.679 121.899 120.200 0.033 0.000 2.376 227 E HA 0.293 4.644 4.350 0.001 0.000 0.266 227 E C -0.940 175.679 176.600 0.032 0.000 1.009 227 E CA -0.237 56.183 56.400 0.034 0.000 0.902 227 E CB 0.723 30.445 29.700 0.036 0.000 0.972 227 E HN 0.214 nan 8.360 nan 0.000 0.439 228 D N 2.932 123.351 120.400 0.032 0.000 2.312 228 D HA 0.103 4.744 4.640 0.001 0.000 0.248 228 D C -0.701 175.615 176.300 0.027 0.000 1.086 228 D CA -0.376 53.643 54.000 0.030 0.000 0.948 228 D CB 0.939 41.758 40.800 0.032 0.000 1.162 228 D HN 0.257 nan 8.370 nan 0.000 0.446 229 D N 0.818 121.232 120.400 0.023 0.000 2.344 229 D HA 0.349 4.990 4.640 0.001 0.000 0.244 229 D C 0.034 176.330 176.300 -0.006 0.000 1.134 229 D CA 0.185 54.195 54.000 0.016 0.000 0.930 229 D CB 0.657 41.459 40.800 0.003 0.000 1.175 229 D HN 0.250 nan 8.370 nan 0.000 0.437 230 R N -0.222 120.276 120.500 -0.003 0.000 2.807 230 R HA 0.624 4.965 4.340 0.001 0.000 0.276 230 R C -1.213 175.031 176.300 -0.095 0.000 0.979 230 R CA -0.929 55.120 56.100 -0.085 0.000 0.928 230 R CB 2.101 32.320 30.300 -0.134 0.000 1.191 230 R HN 0.089 nan 8.270 nan 0.000 0.471 231 V N 3.349 123.125 119.914 -0.231 0.000 2.304 231 V HA 0.290 4.411 4.120 0.001 0.000 0.278 231 V C -0.921 175.040 176.094 -0.221 0.000 1.018 231 V CA -0.797 61.350 62.300 -0.255 0.000 0.814 231 V CB 0.383 31.914 31.823 -0.486 0.000 1.021 231 V HN 0.611 nan 8.190 nan 0.000 0.440 232 Y N 3.947 124.121 120.300 -0.209 0.000 2.336 232 Y HA 0.521 5.072 4.550 0.002 0.000 0.331 232 Y C -0.046 175.643 175.900 -0.351 0.000 1.211 232 Y CA 0.295 58.260 58.100 -0.225 0.000 1.346 232 Y CB 0.957 39.338 38.460 -0.132 0.000 1.271 232 Y HN 0.491 nan 8.280 nan 0.000 0.538 233 F N 2.437 122.288 119.950 -0.164 0.000 2.556 233 F HA 0.526 5.054 4.527 0.002 0.000 0.314 233 F C -1.204 174.555 175.800 -0.067 0.000 1.106 233 F CA -1.022 57.004 58.000 0.044 0.000 0.911 233 F CB 1.354 40.438 39.000 0.140 0.000 1.190 233 F HN 0.207 nan 8.300 nan 0.000 0.448 234 F N 4.028 124.291 119.950 0.522 0.000 2.529 234 F HA 0.706 5.234 4.527 0.002 0.000 0.320 234 F C -0.593 175.525 175.800 0.530 0.000 1.118 234 F CA -1.058 57.162 58.000 0.366 0.000 0.915 234 F CB 1.715 40.840 39.000 0.208 0.000 1.161 234 F HN 0.352 nan 8.300 nan 0.000 0.445 235 F N -1.196 118.936 119.950 0.303 0.000 2.773 235 F HA 0.752 5.279 4.527 0.001 0.000 0.314 235 F C -1.415 174.437 175.800 0.087 0.000 1.160 235 F CA -1.070 57.025 58.000 0.159 0.000 0.920 235 F CB 1.351 40.372 39.000 0.035 0.000 1.323 235 F HN 0.169 nan 8.300 nan 0.000 0.457 236 T N 1.044 115.693 114.554 0.159 0.000 2.807 236 T HA 0.582 4.932 4.350 0.001 0.000 0.279 236 T C -1.134 173.653 174.700 0.144 0.000 0.993 236 T CA -0.598 61.552 62.100 0.084 0.000 0.970 236 T CB 1.479 70.411 68.868 0.106 0.000 0.950 236 T HN 0.823 nan 8.240 nan 0.000 0.441 237 E N 0.848 121.114 120.200 0.110 0.000 2.433 237 E HA 0.584 4.935 4.350 0.001 0.000 0.278 237 E C -1.368 175.286 176.600 0.089 0.000 0.976 237 E CA -1.113 55.370 56.400 0.138 0.000 0.793 237 E CB 1.040 30.899 29.700 0.265 0.000 1.311 237 E HN 0.226 nan 8.360 nan 0.000 0.460 238 V N 2.005 121.969 119.914 0.084 0.000 2.485 238 V HA 0.055 4.175 4.120 0.001 0.000 0.287 238 V C 0.493 176.615 176.094 0.046 0.000 1.022 238 V CA 0.117 62.464 62.300 0.079 0.000 1.067 238 V CB 0.792 32.663 31.823 0.080 0.000 0.967 238 V HN 0.691 nan 8.190 nan 0.000 0.479 239 S N 3.924 119.655 115.700 0.051 0.000 2.549 239 S HA 0.196 4.666 4.470 0.001 0.000 0.279 239 S C 0.993 175.555 174.600 -0.063 0.000 1.321 239 S CA -0.242 57.945 58.200 -0.021 0.000 1.054 239 S CB 1.354 64.585 63.200 0.053 0.000 0.899 239 S HN 0.747 nan 8.310 nan 0.000 0.497 240 V N 2.954 122.734 119.914 -0.224 0.000 2.949 240 V HA 0.132 4.253 4.120 0.001 0.000 0.245 240 V C 2.180 178.148 176.094 -0.211 0.000 1.086 240 V CA 0.982 63.120 62.300 -0.270 0.000 1.097 240 V CB -0.782 30.652 31.823 -0.649 0.000 0.762 240 V HN 0.908 nan 8.190 nan 0.000 0.470 241 E N 0.194 120.183 120.200 -0.351 0.000 2.216 241 E HA -0.098 4.253 4.350 0.001 0.000 0.192 241 E C 0.020 176.494 176.600 -0.210 0.000 0.988 241 E CA 0.628 56.843 56.400 -0.309 0.000 0.834 241 E CB -0.321 29.054 29.700 -0.542 0.000 0.772 241 E HN 0.658 nan 8.360 nan 0.000 0.479 242 Y N 0.790 121.106 120.300 0.027 0.000 2.420 242 Y HA 0.549 5.100 4.550 0.001 0.000 0.334 242 Y C -0.059 175.886 175.900 0.075 0.000 1.094 242 Y CA -1.801 56.324 58.100 0.041 0.000 1.126 242 Y CB 1.498 39.967 38.460 0.014 0.000 1.217 242 Y HN -0.077 nan 8.280 nan 0.000 0.462 243 E N 2.155 122.521 120.200 0.277 0.000 2.263 243 E HA 0.500 4.851 4.350 0.001 0.000 0.268 243 E C -1.949 174.812 176.600 0.268 0.000 0.884 243 E CA -0.342 56.189 56.400 0.217 0.000 0.766 243 E CB 1.574 31.366 29.700 0.154 0.000 1.196 243 E HN 0.448 nan 8.360 nan 0.000 0.416 244 F N 3.210 123.176 119.950 0.028 0.000 3.084 244 F HA 0.333 4.861 4.527 0.001 0.000 0.336 244 F C 0.441 176.189 175.800 -0.086 0.000 1.230 244 F CA -0.602 57.373 58.000 -0.041 0.000 0.993 244 F CB 0.466 39.433 39.000 -0.055 0.000 1.496 244 F HN 0.254 nan 8.300 nan 0.000 0.522 245 V N 0.802 120.003 119.914 -1.188 0.000 2.295 245 V HA -0.182 3.939 4.120 0.001 0.000 0.246 245 V C 0.467 176.244 176.094 -0.528 0.000 1.049 245 V CA 1.627 63.341 62.300 -0.977 0.000 1.024 245 V CB -0.969 30.019 31.823 -1.392 0.000 0.648 245 V HN 0.362 nan 8.190 nan 0.000 0.447 246 F N -1.278 118.590 119.950 -0.136 0.000 2.572 246 F HA 0.631 5.158 4.527 0.001 0.000 0.342 246 F C 0.642 176.497 175.800 0.092 0.000 1.064 246 F CA -2.034 55.970 58.000 0.006 0.000 1.008 246 F CB 0.293 39.317 39.000 0.040 0.000 1.303 246 F HN -0.272 nan 8.300 nan 0.000 0.492 247 R N 0.926 121.612 120.500 0.310 0.000 2.401 247 R HA 0.410 4.751 4.340 0.001 0.000 0.299 247 R C -0.693 175.758 176.300 0.252 0.000 1.064 247 R CA -0.431 55.805 56.100 0.227 0.000 1.000 247 R CB 0.839 31.236 30.300 0.162 0.000 0.973 247 R HN 0.558 nan 8.270 nan 0.000 0.438 248 V N 4.730 124.785 119.914 0.236 0.000 2.465 248 V HA 0.362 4.483 4.120 0.001 0.000 0.279 248 V C -0.050 176.149 176.094 0.174 0.000 1.045 248 V CA -0.655 61.778 62.300 0.221 0.000 0.938 248 V CB 0.792 32.740 31.823 0.208 0.000 0.986 248 V HN 0.560 nan 8.190 nan 0.000 0.467 249 L N 5.895 127.210 121.223 0.153 0.000 2.421 249 L HA 0.649 4.990 4.340 0.001 0.000 0.263 249 L C -0.290 176.656 176.870 0.128 0.000 1.122 249 L CA -0.534 54.383 54.840 0.128 0.000 0.804 249 L CB 1.426 43.558 42.059 0.122 0.000 1.150 249 L HN 0.664 nan 8.230 nan 0.000 0.457 250 I N 1.984 122.614 120.570 0.100 0.000 2.610 250 I HA 0.407 4.578 4.170 0.001 0.000 0.289 250 I C -2.591 173.547 176.117 0.034 0.000 1.163 250 I CA -2.004 59.349 61.300 0.088 0.000 1.044 250 I CB 2.475 40.532 38.000 0.096 0.000 1.251 250 I HN 0.252 nan 8.210 nan 0.000 0.424 251 P HA 0.309 nan 4.420 nan 0.000 0.271 251 P C -1.262 175.977 177.300 -0.102 0.000 1.216 251 P CA -0.344 62.799 63.100 0.072 0.000 0.776 251 P CB 0.474 32.387 31.700 0.355 0.000 0.881 252 R N 2.498 122.805 120.500 -0.321 0.000 2.621 252 R HA 0.559 4.900 4.340 0.001 0.000 0.292 252 R C -0.576 175.482 176.300 -0.403 0.000 0.969 252 R CA -0.917 54.873 56.100 -0.518 0.000 0.887 252 R CB 2.127 31.717 30.300 -1.184 0.000 1.180 252 R HN 0.565 nan 8.270 nan 0.000 0.450 253 I N 1.384 121.787 120.570 -0.280 0.000 2.377 253 I HA 0.639 4.810 4.170 0.001 0.000 0.293 253 I C -0.890 175.148 176.117 -0.131 0.000 0.987 253 I CA -0.295 60.795 61.300 -0.350 0.000 1.185 253 I CB 1.377 39.220 38.000 -0.262 0.000 1.341 253 I HN 0.736 nan 8.210 nan 0.000 0.455 254 A N 7.296 129.974 122.820 -0.238 0.000 2.527 254 A HA 0.962 5.283 4.320 0.001 0.000 0.293 254 A C -1.229 176.029 177.584 -0.543 0.000 1.117 254 A CA -0.849 51.004 52.037 -0.307 0.000 0.723 254 A CB 1.692 20.664 19.000 -0.047 0.000 1.313 254 A HN 0.834 nan 8.150 nan 0.000 0.411 255 R N -0.931 119.069 120.500 -0.834 0.000 2.680 255 R HA 0.787 5.128 4.340 0.001 0.000 0.269 255 R C -1.161 174.758 176.300 -0.635 0.000 1.026 255 R CA -0.671 54.868 56.100 -0.936 0.000 0.889 255 R CB 1.514 30.839 30.300 -1.625 0.000 1.241 255 R HN 1.387 nan 8.270 nan 0.000 0.463 256 V N -2.229 117.392 119.914 -0.488 0.000 3.102 256 V HA 0.722 4.843 4.120 0.001 0.000 0.312 256 V C -0.524 175.418 176.094 -0.253 0.000 1.135 256 V CA -1.019 61.035 62.300 -0.410 0.000 1.022 256 V CB 1.878 33.207 31.823 -0.823 0.000 1.056 256 V HN 0.966 nan 8.190 nan 0.000 0.436 257 c N 2.527 121.078 118.600 -0.082 0.000 2.388 257 c HA 0.438 5.009 4.570 0.001 0.000 0.362 257 c C 1.862 176.027 174.090 0.124 0.000 1.266 257 c CA -0.142 56.188 56.329 0.001 0.000 2.028 257 c CB 0.563 43.093 42.510 0.035 0.000 2.440 257 c HN 1.164 nan 8.230 nan 0.000 0.547 258 K N 2.194 122.647 120.400 0.088 0.000 2.044 258 K HA -0.146 4.174 4.320 0.001 0.000 0.210 258 K C 1.860 178.597 176.600 0.228 0.000 1.049 258 K CA 1.959 58.350 56.287 0.174 0.000 0.927 258 K CB -0.366 32.177 32.500 0.072 0.000 0.713 258 K HN 0.949 nan 8.250 nan 0.000 0.443 259 G N 1.058 109.947 108.800 0.147 0.000 2.882 259 G HA2 -0.139 3.822 3.960 0.001 0.000 0.206 259 G HA3 -0.139 3.822 3.960 0.001 0.000 0.206 259 G C -0.022 174.962 174.900 0.141 0.000 1.155 259 G CA -0.182 44.992 45.100 0.123 0.000 0.800 259 G HN 0.310 nan 8.290 nan 0.000 0.524 260 D N -0.075 120.456 120.400 0.218 0.000 2.455 260 D HA 0.102 4.742 4.640 0.001 0.000 0.241 260 D C 0.981 177.363 176.300 0.136 0.000 1.138 260 D CA 0.433 54.572 54.000 0.230 0.000 0.877 260 D CB 0.767 41.831 40.800 0.440 0.000 1.187 260 D HN 0.259 nan 8.370 nan 0.000 0.451 261 Q N 0.999 120.847 119.800 0.079 0.000 2.113 261 Q HA 0.321 4.662 4.340 0.001 0.000 0.225 261 Q C 0.648 176.640 176.000 -0.013 0.000 0.786 261 Q CA -0.050 55.764 55.803 0.018 0.000 0.989 261 Q CB 1.121 29.875 28.738 0.027 0.000 1.174 261 Q HN 0.759 nan 8.270 nan 0.000 0.470 262 G N 0.342 109.148 108.800 0.011 0.000 2.796 262 G HA2 -0.151 3.810 3.960 0.001 0.000 0.571 262 G HA3 -0.151 3.810 3.960 0.001 0.000 0.571 262 G C -0.016 174.900 174.900 0.027 0.000 1.370 262 G CA -0.697 44.404 45.100 0.002 0.000 0.856 262 G HN 0.311 nan 8.290 nan 0.000 0.538 263 G N -1.518 107.298 108.800 0.027 0.000 2.504 263 G HA2 0.657 4.618 3.960 0.001 0.000 0.288 263 G HA3 0.657 4.618 3.960 0.001 0.000 0.288 263 G C 1.039 175.946 174.900 0.013 0.000 1.182 263 G CA 0.333 45.452 45.100 0.032 0.000 0.894 263 G HN 1.326 nan 8.290 nan 0.000 0.521 264 L N 0.534 121.768 121.223 0.019 0.000 2.062 264 L HA 0.240 4.581 4.340 0.001 0.000 0.202 264 L C 2.922 179.797 176.870 0.008 0.000 1.079 264 L CA 1.361 56.209 54.840 0.013 0.000 0.755 264 L CB -0.320 41.752 42.059 0.023 0.000 0.913 264 L HN 0.578 nan 8.230 nan 0.000 0.445 265 R N -1.642 118.867 120.500 0.014 0.000 2.066 265 R HA 0.066 4.407 4.340 0.001 0.000 0.224 265 R C 0.744 177.047 176.300 0.005 0.000 1.122 265 R CA 1.050 57.156 56.100 0.010 0.000 0.974 265 R CB -0.321 29.989 30.300 0.015 0.000 0.871 265 R HN 0.305 nan 8.270 nan 0.000 0.435 266 T N -0.834 113.728 114.554 0.014 0.000 2.938 266 T HA 0.357 4.708 4.350 0.001 0.000 0.285 266 T C 0.004 174.713 174.700 0.015 0.000 1.028 266 T CA -0.671 61.437 62.100 0.013 0.000 1.005 266 T CB 0.688 69.573 68.868 0.029 0.000 1.157 266 T HN 0.247 nan 8.240 nan 0.000 0.550 267 L N 0.875 122.104 121.223 0.009 0.000 3.781 267 L HA -0.181 4.160 4.340 0.001 0.000 0.426 267 L C 0.361 177.212 176.870 -0.032 0.000 1.197 267 L CA 0.233 55.077 54.840 0.007 0.000 0.907 267 L CB -1.474 40.641 42.059 0.094 0.000 1.812 267 L HN 0.713 nan 8.230 nan 0.000 0.956 268 Q N 1.504 121.273 119.800 -0.051 0.000 2.262 268 Q HA 0.087 4.428 4.340 0.001 0.000 0.272 268 Q C 0.778 176.713 176.000 -0.109 0.000 1.076 268 Q CA -0.041 55.723 55.803 -0.064 0.000 0.905 268 Q CB 0.408 29.113 28.738 -0.056 0.000 1.182 268 Q HN 0.108 nan 8.270 nan 0.000 0.390 269 K N 0.692 121.016 120.400 -0.127 0.000 3.281 269 K HA -0.149 4.172 4.320 0.001 0.000 0.295 269 K C -0.691 175.740 176.600 -0.282 0.000 1.233 269 K CA 1.056 57.227 56.287 -0.192 0.000 0.866 269 K CB -1.001 31.395 32.500 -0.174 0.000 1.265 269 K HN 0.541 nan 8.250 nan 0.000 0.482 270 K N -0.301 119.959 120.400 -0.234 0.000 2.328 270 K HA 0.339 4.659 4.320 0.001 0.000 0.246 270 K C 0.027 176.576 176.600 -0.085 0.000 0.955 270 K CA -0.667 55.471 56.287 -0.247 0.000 0.817 270 K CB 0.808 33.200 32.500 -0.181 0.000 1.208 270 K HN -0.001 nan 8.250 nan 0.000 0.432 271 W N 1.402 122.781 121.300 0.131 0.000 2.264 271 W HA -0.038 4.622 4.660 0.001 0.000 0.331 271 W C 1.600 178.301 176.519 0.303 0.000 1.364 271 W CA 0.022 57.504 57.345 0.228 0.000 1.253 271 W CB 0.436 30.076 29.460 0.299 0.000 1.215 271 W HN 0.705 nan 8.180 nan 0.000 0.561 272 T N -2.636 112.188 114.554 0.450 0.000 3.022 272 T HA -0.040 4.311 4.350 0.001 0.000 0.250 272 T C 1.263 176.102 174.700 0.232 0.000 1.060 272 T CA 0.481 62.761 62.100 0.300 0.000 1.013 272 T CB -0.114 68.868 68.868 0.190 0.000 0.982 272 T HN 0.342 nan 8.240 nan 0.000 0.508 273 S N 0.257 116.104 115.700 0.245 0.000 2.568 273 S HA 0.350 4.821 4.470 0.001 0.000 0.232 273 S C -0.047 174.535 174.600 -0.029 0.000 0.975 273 S CA -0.905 57.347 58.200 0.086 0.000 0.949 273 S CB -0.859 62.377 63.200 0.061 0.000 0.829 273 S HN 0.447 nan 8.310 nan 0.000 0.479 274 F N 3.064 122.929 119.950 -0.142 0.000 2.434 274 F HA 0.583 5.110 4.527 0.001 0.000 0.358 274 F C -0.598 175.014 175.800 -0.313 0.000 1.136 274 F CA -0.931 56.876 58.000 -0.322 0.000 1.157 274 F CB 0.118 38.907 39.000 -0.351 0.000 1.167 274 F HN 0.074 nan 8.300 nan 0.000 0.539 275 L N 7.073 127.822 121.223 -0.789 0.000 2.381 275 L HA 0.543 4.884 4.340 0.001 0.000 0.268 275 L C -0.862 175.619 176.870 -0.648 0.000 0.997 275 L CA -1.036 53.466 54.840 -0.564 0.000 0.818 275 L CB 2.335 44.321 42.059 -0.122 0.000 1.310 275 L HN 0.559 nan 8.230 nan 0.000 0.416 276 K N 1.830 122.037 120.400 -0.322 0.000 2.444 276 K HA 1.001 5.322 4.320 0.001 0.000 0.252 276 K C -1.513 175.095 176.600 0.013 0.000 0.993 276 K CA -0.838 55.375 56.287 -0.124 0.000 0.847 276 K CB 2.901 35.246 32.500 -0.259 0.000 1.340 276 K HN 0.592 nan 8.250 nan 0.000 0.446 277 A N 1.222 124.007 122.820 -0.059 0.000 2.612 277 A HA 0.494 4.815 4.320 0.001 0.000 0.293 277 A C -1.260 176.220 177.584 -0.172 0.000 1.075 277 A CA -0.998 50.930 52.037 -0.181 0.000 0.680 277 A CB 1.374 20.146 19.000 -0.379 0.000 1.279 277 A HN 0.721 nan 8.150 nan 0.000 0.411 278 R N -0.327 120.084 120.500 -0.149 0.000 2.623 278 R HA 0.271 4.612 4.340 0.001 0.000 0.271 278 R C -1.089 175.160 176.300 -0.086 0.000 1.043 278 R CA -0.040 56.002 56.100 -0.096 0.000 1.083 278 R CB 0.277 30.553 30.300 -0.040 0.000 0.974 278 R HN 0.457 nan 8.270 nan 0.000 0.436 279 L N 5.352 126.545 121.223 -0.050 0.000 2.316 279 L HA 0.361 4.702 4.340 0.001 0.000 0.280 279 L C -1.004 175.881 176.870 0.025 0.000 1.006 279 L CA -0.280 54.525 54.840 -0.059 0.000 0.836 279 L CB 1.329 43.371 42.059 -0.030 0.000 1.221 279 L HN 0.457 nan 8.230 nan 0.000 0.418 280 I N 4.406 125.018 120.570 0.070 0.000 2.312 280 I HA 0.250 4.421 4.170 0.001 0.000 0.290 280 I C -0.350 175.756 176.117 -0.018 0.000 1.008 280 I CA -0.331 60.982 61.300 0.022 0.000 1.226 280 I CB 1.161 39.179 38.000 0.030 0.000 1.371 280 I HN 0.574 nan 8.210 nan 0.000 0.468 281 c N 7.083 125.513 118.600 -0.283 0.000 2.335 281 c HA 0.749 5.320 4.570 0.001 0.000 0.318 281 c C 0.074 174.130 174.090 -0.056 0.000 1.150 281 c CA -0.005 56.124 56.329 -0.334 0.000 1.466 281 c CB -0.562 41.331 42.510 -1.029 0.000 2.024 281 c HN 0.944 nan 8.230 nan 0.000 0.429 282 S N 4.624 120.321 115.700 -0.005 0.000 2.567 282 S HA 0.625 5.096 4.470 0.001 0.000 0.270 282 S C -1.292 173.305 174.600 -0.004 0.000 1.152 282 S CA -0.810 57.398 58.200 0.013 0.000 0.835 282 S CB 1.249 64.398 63.200 -0.085 0.000 1.115 282 S HN 0.871 nan 8.310 nan 0.000 0.459 283 R N 1.704 122.195 120.500 -0.015 0.000 2.358 283 R HA 0.516 4.857 4.340 0.001 0.000 0.309 283 R C -2.307 173.952 176.300 -0.070 0.000 1.026 283 R CA -2.169 53.905 56.100 -0.043 0.000 0.909 283 R CB 1.118 31.387 30.300 -0.051 0.000 1.153 283 R HN 0.492 nan 8.270 nan 0.000 0.515 284 P HA -0.062 nan 4.420 nan 0.000 0.222 284 P C 0.206 177.469 177.300 -0.062 0.000 1.157 284 P CA 0.660 63.715 63.100 -0.075 0.000 0.816 284 P CB 0.193 31.851 31.700 -0.070 0.000 0.813 285 D N -0.425 119.945 120.400 -0.051 0.000 2.389 285 D HA -0.066 4.575 4.640 0.001 0.000 0.221 285 D C 0.599 176.879 176.300 -0.034 0.000 0.974 285 D CA 0.891 54.867 54.000 -0.040 0.000 0.923 285 D CB -0.399 40.380 40.800 -0.036 0.000 0.892 285 D HN 0.148 nan 8.370 nan 0.000 0.518 286 S N -1.295 114.379 115.700 -0.044 0.000 2.733 286 S HA 0.399 4.870 4.470 0.001 0.000 0.247 286 S C 1.379 175.957 174.600 -0.037 0.000 1.043 286 S CA -0.091 58.092 58.200 -0.028 0.000 1.066 286 S CB 1.356 64.530 63.200 -0.043 0.000 1.045 286 S HN 0.510 nan 8.310 nan 0.000 0.586 287 G N 2.185 110.944 108.800 -0.069 0.000 2.225 287 G HA2 -0.264 3.697 3.960 0.001 0.000 0.267 287 G HA3 -0.264 3.697 3.960 0.001 0.000 0.267 287 G C -0.134 174.678 174.900 -0.147 0.000 1.024 287 G CA 0.198 45.239 45.100 -0.097 0.000 0.784 287 G HN 0.495 nan 8.290 nan 0.000 0.507 288 L N 0.025 121.142 121.223 -0.177 0.000 2.257 288 L HA 0.667 5.008 4.340 0.001 0.000 0.290 288 L C 0.233 176.814 176.870 -0.482 0.000 1.044 288 L CA -0.842 53.792 54.840 -0.344 0.000 0.810 288 L CB 1.805 43.721 42.059 -0.239 0.000 1.193 288 L HN 0.031 nan 8.230 nan 0.000 0.425 289 V N 4.866 124.402 119.914 -0.629 0.000 2.531 289 V HA 0.506 4.627 4.120 0.001 0.000 0.301 289 V C -1.102 174.623 176.094 -0.615 0.000 1.034 289 V CA -0.288 61.721 62.300 -0.485 0.000 0.865 289 V CB 1.704 33.354 31.823 -0.288 0.000 0.995 289 V HN 0.471 nan 8.190 nan 0.000 0.424 290 F N 7.159 127.072 119.950 -0.063 0.000 2.307 290 F HA 0.467 4.995 4.527 0.001 0.000 0.369 290 F C 1.142 176.952 175.800 0.018 0.000 1.076 290 F CA -0.801 57.204 58.000 0.008 0.000 1.149 290 F CB 0.948 39.968 39.000 0.033 0.000 1.410 290 F HN 0.658 nan 8.300 nan 0.000 0.481 291 N N 0.753 119.557 118.700 0.173 0.000 2.268 291 N HA 0.069 4.810 4.740 0.001 0.000 0.204 291 N C -0.645 175.010 175.510 0.243 0.000 1.124 291 N CA 0.210 53.363 53.050 0.170 0.000 0.838 291 N CB 0.565 39.102 38.487 0.085 0.000 0.994 291 N HN 0.240 nan 8.380 nan 0.000 0.489 292 V N 1.884 121.990 119.914 0.320 0.000 2.376 292 V HA 0.265 4.386 4.120 0.001 0.000 0.287 292 V C -0.431 175.847 176.094 0.306 0.000 1.015 292 V CA -1.023 61.437 62.300 0.266 0.000 0.834 292 V CB 1.626 33.570 31.823 0.201 0.000 1.001 292 V HN 0.111 nan 8.190 nan 0.000 0.428 293 L N 6.788 128.137 121.223 0.210 0.000 2.360 293 L HA 0.469 4.810 4.340 0.001 0.000 0.276 293 L C 1.211 178.074 176.870 -0.012 0.000 1.121 293 L CA 0.711 55.528 54.840 -0.038 0.000 0.845 293 L CB 0.667 42.689 42.059 -0.061 0.000 1.143 293 L HN 0.514 nan 8.230 nan 0.000 0.452 294 R N 2.190 122.647 120.500 -0.072 0.000 2.164 294 R HA 0.325 4.666 4.340 0.001 0.000 0.198 294 R C -0.321 175.968 176.300 -0.019 0.000 1.028 294 R CA 0.107 56.208 56.100 0.002 0.000 1.083 294 R CB 0.012 30.341 30.300 0.049 0.000 1.026 294 R HN 0.694 nan 8.270 nan 0.000 0.514 295 D N -0.954 119.387 120.400 -0.100 0.000 2.599 295 D HA 0.415 5.056 4.640 0.001 0.000 0.252 295 D C -1.630 174.525 176.300 -0.243 0.000 1.232 295 D CA -0.529 53.410 54.000 -0.101 0.000 0.819 295 D CB 2.497 43.273 40.800 -0.041 0.000 1.401 295 D HN -0.245 nan 8.370 nan 0.000 0.429 296 V N 2.029 121.711 119.914 -0.387 0.000 2.686 296 V HA 0.563 4.684 4.120 0.001 0.000 0.306 296 V C -1.112 174.456 176.094 -0.876 0.000 1.065 296 V CA -0.868 61.025 62.300 -0.679 0.000 0.894 296 V CB 1.632 32.815 31.823 -1.067 0.000 1.004 296 V HN 0.546 nan 8.190 nan 0.000 0.424 297 F N 4.566 124.182 119.950 -0.555 0.000 2.520 297 F HA 0.777 5.305 4.527 0.001 0.000 0.322 297 F C -0.364 175.336 175.800 -0.167 0.000 1.103 297 F CA -0.732 57.034 58.000 -0.390 0.000 0.926 297 F CB 1.990 40.887 39.000 -0.172 0.000 1.154 297 F HN 0.308 nan 8.300 nan 0.000 0.453 298 V N 7.094 126.553 119.914 -0.758 0.000 2.334 298 V HA 0.231 4.352 4.120 0.001 0.000 0.267 298 V C -0.248 175.551 176.094 -0.491 0.000 1.040 298 V CA -0.746 61.301 62.300 -0.422 0.000 0.866 298 V CB 0.783 32.476 31.823 -0.217 0.000 1.019 298 V HN 0.662 nan 8.190 nan 0.000 0.468 299 L N 6.780 127.951 121.223 -0.086 0.000 2.433 299 L HA 0.327 4.668 4.340 0.001 0.000 0.284 299 L C 0.665 177.516 176.870 -0.033 0.000 1.120 299 L CA 0.479 55.368 54.840 0.082 0.000 0.879 299 L CB -0.096 42.103 42.059 0.234 0.000 1.232 299 L HN 0.537 nan 8.230 nan 0.000 0.454 300 R N 3.665 124.135 120.500 -0.050 0.000 2.408 300 R HA 0.277 4.618 4.340 0.001 0.000 0.308 300 R C -0.063 176.231 176.300 -0.011 0.000 1.210 300 R CA -0.266 55.802 56.100 -0.052 0.000 1.115 300 R CB 0.234 30.494 30.300 -0.067 0.000 1.127 300 R HN 0.662 nan 8.270 nan 0.000 0.523 301 S N 4.383 120.077 115.700 -0.010 0.000 2.515 301 S HA 0.033 4.504 4.470 0.001 0.000 0.285 301 S C -1.254 173.342 174.600 -0.006 0.000 1.265 301 S CA -1.106 57.094 58.200 -0.000 0.000 1.079 301 S CB 0.789 63.987 63.200 -0.002 0.000 0.877 301 S HN 0.440 nan 8.310 nan 0.000 0.493 302 P HA -0.016 nan 4.420 nan 0.000 0.217 302 P C 1.514 178.808 177.300 -0.010 0.000 1.150 302 P CA 1.048 64.142 63.100 -0.008 0.000 0.832 302 P CB -0.086 31.606 31.700 -0.012 0.000 0.787 303 G N 0.054 108.848 108.800 -0.010 0.000 2.508 303 G HA2 0.037 3.998 3.960 0.001 0.000 0.212 303 G HA3 0.037 3.998 3.960 0.001 0.000 0.212 303 G C 0.444 175.338 174.900 -0.010 0.000 1.206 303 G CA -0.117 44.976 45.100 -0.011 0.000 0.822 303 G HN 0.163 nan 8.290 nan 0.000 0.550 304 L N 1.679 122.896 121.223 -0.010 0.000 2.477 304 L HA 0.134 4.475 4.340 0.001 0.000 0.272 304 L C 1.481 178.342 176.870 -0.015 0.000 1.157 304 L CA -0.473 54.360 54.840 -0.011 0.000 0.889 304 L CB 0.992 43.044 42.059 -0.010 0.000 1.158 304 L HN 0.121 nan 8.230 nan 0.000 0.473 305 K N 2.263 122.656 120.400 -0.012 0.000 2.362 305 K HA 0.015 4.336 4.320 0.001 0.000 0.200 305 K C 0.121 176.709 176.600 -0.019 0.000 1.046 305 K CA 0.662 56.941 56.287 -0.012 0.000 0.952 305 K CB 0.069 32.567 32.500 -0.004 0.000 0.753 305 K HN 0.373 nan 8.250 nan 0.000 0.466 306 V N 3.620 123.519 119.914 -0.025 0.000 2.398 306 V HA 0.195 4.316 4.120 0.001 0.000 0.286 306 V C -2.337 173.710 176.094 -0.079 0.000 1.026 306 V CA -2.136 60.139 62.300 -0.042 0.000 0.868 306 V CB 1.353 33.162 31.823 -0.023 0.000 0.982 306 V HN 0.026 nan 8.190 nan 0.000 0.443 307 P HA 0.329 nan 4.420 nan 0.000 0.274 307 P C -0.899 176.219 177.300 -0.303 0.000 1.231 307 P CA -0.246 62.719 63.100 -0.225 0.000 0.790 307 P CB 0.857 32.366 31.700 -0.320 0.000 0.951 308 V N 3.045 122.823 119.914 -0.227 0.000 2.448 308 V HA 0.329 4.450 4.120 0.001 0.000 0.295 308 V C -0.294 175.722 176.094 -0.130 0.000 1.025 308 V CA -0.451 61.767 62.300 -0.137 0.000 0.859 308 V CB 0.625 32.476 31.823 0.047 0.000 0.988 308 V HN 0.323 nan 8.190 nan 0.000 0.431 309 F N 4.026 124.029 119.950 0.088 0.000 2.424 309 F HA 0.442 4.970 4.527 0.001 0.000 0.356 309 F C -0.074 175.782 175.800 0.092 0.000 1.110 309 F CA -0.398 57.640 58.000 0.064 0.000 1.161 309 F CB 0.445 39.469 39.000 0.039 0.000 1.115 309 F HN 0.378 nan 8.300 nan 0.000 0.507 310 Y N 2.451 122.869 120.300 0.196 0.000 2.385 310 Y HA 0.570 5.121 4.550 0.002 0.000 0.341 310 Y C 0.250 176.190 175.900 0.067 0.000 0.965 310 Y CA -0.764 57.426 58.100 0.151 0.000 1.180 310 Y CB 0.878 39.416 38.460 0.129 0.000 1.139 310 Y HN 0.664 nan 8.280 nan 0.000 0.502 311 A N 4.324 127.259 122.820 0.192 0.000 2.317 311 A HA 0.674 4.995 4.320 0.001 0.000 0.327 311 A C -1.574 175.954 177.584 -0.094 0.000 1.178 311 A CA -0.700 51.311 52.037 -0.042 0.000 0.817 311 A CB 0.864 19.837 19.000 -0.045 0.000 1.189 311 A HN 0.664 nan 8.150 nan 0.000 0.489 312 L N 2.917 123.969 121.223 -0.286 0.000 2.287 312 L HA 0.807 5.148 4.340 0.001 0.000 0.287 312 L C -1.412 175.297 176.870 -0.269 0.000 1.022 312 L CA -0.145 54.610 54.840 -0.141 0.000 0.814 312 L CB 0.014 42.038 42.059 -0.059 0.000 1.217 312 L HN 0.571 nan 8.230 nan 0.000 0.420 313 F N 1.923 121.905 119.950 0.055 0.000 2.593 313 F HA 0.813 5.341 4.527 0.001 0.000 0.320 313 F C 0.400 176.253 175.800 0.088 0.000 1.060 313 F CA -0.703 57.355 58.000 0.097 0.000 0.940 313 F CB 2.340 41.437 39.000 0.162 0.000 1.268 313 F HN 0.529 nan 8.300 nan 0.000 0.475 314 T N -0.694 114.106 114.554 0.409 0.000 2.906 314 T HA 0.652 5.003 4.350 0.001 0.000 0.295 314 T C -3.243 171.729 174.700 0.453 0.000 1.075 314 T CA -2.630 59.707 62.100 0.395 0.000 1.005 314 T CB 2.482 71.498 68.868 0.247 0.000 1.136 314 T HN 0.273 nan 8.240 nan 0.000 0.498 315 P HA 0.226 nan 4.420 nan 0.000 0.282 315 P C 0.343 177.740 177.300 0.162 0.000 1.249 315 P CA -0.436 62.789 63.100 0.209 0.000 0.806 315 P CB 1.471 33.209 31.700 0.063 0.000 0.984 316 Q N 2.310 122.188 119.800 0.130 0.000 2.049 316 Q HA -0.027 4.314 4.340 0.001 0.000 0.198 316 Q C 0.040 176.115 176.000 0.125 0.000 0.971 316 Q CA 1.084 56.964 55.803 0.128 0.000 0.833 316 Q CB -0.151 28.668 28.738 0.134 0.000 0.896 316 Q HN 0.449 nan 8.270 nan 0.000 0.434 317 L N 2.355 123.650 121.223 0.121 0.000 2.276 317 L HA 0.241 4.582 4.340 0.001 0.000 0.286 317 L C -0.316 176.615 176.870 0.102 0.000 1.061 317 L CA -0.552 54.377 54.840 0.147 0.000 0.807 317 L CB 1.065 43.233 42.059 0.182 0.000 1.177 317 L HN 0.285 nan 8.230 nan 0.000 0.429 318 N N 0.989 119.755 118.700 0.110 0.000 2.741 318 N HA -0.224 4.516 4.740 0.001 0.000 0.250 318 N C -0.178 175.375 175.510 0.073 0.000 1.115 318 N CA 0.473 53.574 53.050 0.084 0.000 0.724 318 N CB -1.447 37.084 38.487 0.074 0.000 1.090 318 N HN 0.757 nan 8.380 nan 0.000 0.558 319 N N 0.435 119.185 118.700 0.083 0.000 2.452 319 N HA 0.216 4.957 4.740 0.001 0.000 0.266 319 N C 0.536 176.087 175.510 0.069 0.000 1.209 319 N CA 0.216 53.321 53.050 0.093 0.000 0.929 319 N CB 0.799 39.351 38.487 0.108 0.000 1.063 319 N HN 0.104 nan 8.380 nan 0.000 0.472 320 V N 1.974 121.925 119.914 0.062 0.000 3.398 320 V HA 0.450 4.571 4.120 0.001 0.000 0.298 320 V C 0.569 176.674 176.094 0.018 0.000 1.496 320 V CA 0.295 62.617 62.300 0.036 0.000 1.044 320 V CB -0.064 31.776 31.823 0.028 0.000 0.880 320 V HN 0.708 nan 8.190 nan 0.000 0.443 321 G N 0.010 108.820 108.800 0.017 0.000 2.498 321 G HA2 0.690 4.651 3.960 0.001 0.000 0.312 321 G HA3 0.690 4.651 3.960 0.001 0.000 0.312 321 G C -1.724 173.209 174.900 0.055 0.000 1.230 321 G CA -0.560 44.566 45.100 0.044 0.000 0.968 321 G HN 0.091 nan 8.290 nan 0.000 0.481 322 L N 0.261 121.564 121.223 0.135 0.000 2.354 322 L HA 0.727 5.068 4.340 0.001 0.000 0.269 322 L C 0.121 177.104 176.870 0.189 0.000 1.005 322 L CA -0.440 54.533 54.840 0.221 0.000 0.819 322 L CB 2.536 44.866 42.059 0.452 0.000 1.311 322 L HN 0.493 nan 8.230 nan 0.000 0.423 323 S N 0.736 116.484 115.700 0.079 0.000 2.549 323 S HA 0.932 5.402 4.470 0.001 0.000 0.280 323 S C -1.130 173.361 174.600 -0.182 0.000 1.109 323 S CA -0.692 57.515 58.200 0.013 0.000 0.905 323 S CB 2.105 65.378 63.200 0.121 0.000 1.081 323 S HN 0.742 nan 8.310 nan 0.000 0.477 324 A N 1.498 124.106 122.820 -0.353 0.000 2.475 324 A HA 0.832 5.153 4.320 0.001 0.000 0.301 324 A C -1.430 176.128 177.584 -0.044 0.000 1.059 324 A CA -0.667 51.111 52.037 -0.433 0.000 0.710 324 A CB 1.383 19.665 19.000 -1.197 0.000 1.288 324 A HN 0.626 nan 8.150 nan 0.000 0.408 325 V N 1.158 121.075 119.914 0.006 0.000 2.376 325 V HA 0.352 4.473 4.120 0.001 0.000 0.287 325 V C -0.564 175.574 176.094 0.073 0.000 1.015 325 V CA -0.472 61.887 62.300 0.099 0.000 0.834 325 V CB 0.870 32.738 31.823 0.075 0.000 1.001 325 V HN 0.973 nan 8.190 nan 0.000 0.428 326 c N 4.682 123.385 118.600 0.172 0.000 2.351 326 c HA 0.843 5.414 4.570 0.001 0.000 0.326 326 c C 0.710 174.668 174.090 -0.220 0.000 1.272 326 c CA -0.628 55.668 56.329 -0.056 0.000 1.650 326 c CB 0.887 43.372 42.510 -0.042 0.000 2.257 326 c HN 0.947 nan 8.230 nan 0.000 0.505 327 A N 3.637 126.130 122.820 -0.545 0.000 2.288 327 A HA 0.745 5.066 4.320 0.001 0.000 0.320 327 A C -1.338 175.908 177.584 -0.564 0.000 1.217 327 A CA -0.248 51.369 52.037 -0.701 0.000 0.840 327 A CB 0.275 18.642 19.000 -1.057 0.000 1.179 327 A HN 0.849 nan 8.150 nan 0.000 0.504 328 Y N 2.025 122.291 120.300 -0.057 0.000 2.341 328 Y HA 0.313 4.864 4.550 0.001 0.000 0.338 328 Y C 0.544 176.504 175.900 0.100 0.000 0.965 328 Y CA -0.863 57.286 58.100 0.082 0.000 1.108 328 Y CB 1.411 40.002 38.460 0.218 0.000 1.180 328 Y HN 0.722 nan 8.280 nan 0.000 0.458 329 N N 3.281 122.083 118.700 0.170 0.000 2.442 329 N HA -0.027 4.714 4.740 0.001 0.000 0.265 329 N C 0.796 176.407 175.510 0.168 0.000 1.138 329 N CA 0.045 53.155 53.050 0.099 0.000 0.956 329 N CB 1.079 39.598 38.487 0.053 0.000 1.067 329 N HN 0.876 nan 8.380 nan 0.000 0.474 330 L N 4.094 125.372 121.223 0.091 0.000 2.021 330 L HA -0.230 4.111 4.340 0.001 0.000 0.215 330 L C 1.923 178.893 176.870 0.167 0.000 1.074 330 L CA 1.905 56.834 54.840 0.148 0.000 0.760 330 L CB -0.821 41.195 42.059 -0.071 0.000 0.889 330 L HN 0.587 nan 8.230 nan 0.000 0.433 331 S N -0.816 114.947 115.700 0.104 0.000 2.380 331 S HA -0.261 4.210 4.470 0.001 0.000 0.229 331 S C 1.782 176.450 174.600 0.112 0.000 1.043 331 S CA 1.886 60.146 58.200 0.100 0.000 1.038 331 S CB -0.911 62.328 63.200 0.066 0.000 0.872 331 S HN 0.683 nan 8.310 nan 0.000 0.456 332 T N 2.479 117.100 114.554 0.112 0.000 2.622 332 T HA -0.124 4.227 4.350 0.001 0.000 0.266 332 T C 2.205 176.954 174.700 0.082 0.000 1.047 332 T CA 1.444 63.601 62.100 0.095 0.000 1.159 332 T CB -0.739 68.197 68.868 0.113 0.000 0.863 332 T HN 0.509 nan 8.240 nan 0.000 0.422 333 A N 1.701 124.604 122.820 0.138 0.000 1.883 333 A HA -0.199 4.122 4.320 0.001 0.000 0.217 333 A C 2.223 179.911 177.584 0.173 0.000 1.186 333 A CA 1.861 53.967 52.037 0.116 0.000 0.624 333 A CB -0.679 18.506 19.000 0.308 0.000 0.822 333 A HN 0.611 nan 8.150 nan 0.000 0.444 334 E N -0.887 119.481 120.200 0.280 0.000 2.118 334 E HA -0.249 4.102 4.350 0.001 0.000 0.195 334 E C 2.030 178.710 176.600 0.134 0.000 0.992 334 E CA 1.288 57.852 56.400 0.272 0.000 0.804 334 E CB -0.143 29.690 29.700 0.222 0.000 0.741 334 E HN 0.650 nan 8.360 nan 0.000 0.458 335 E N 0.934 121.189 120.200 0.092 0.000 2.110 335 E HA -0.138 4.213 4.350 0.001 0.000 0.193 335 E C 1.984 178.583 176.600 -0.003 0.000 0.988 335 E CA 0.788 57.238 56.400 0.084 0.000 0.804 335 E CB -0.129 29.621 29.700 0.084 0.000 0.745 335 E HN 0.040 nan 8.360 nan 0.000 0.458 336 V N 0.039 119.881 119.914 -0.121 0.000 2.283 336 V HA -0.196 3.925 4.120 0.001 0.000 0.243 336 V C 2.073 177.978 176.094 -0.315 0.000 1.039 336 V CA 1.861 63.994 62.300 -0.279 0.000 1.016 336 V CB -0.651 30.893 31.823 -0.463 0.000 0.650 336 V HN 0.208 nan 8.190 nan 0.000 0.449 337 F N 1.420 121.306 119.950 -0.105 0.000 2.171 337 F HA -0.169 4.359 4.527 0.001 0.000 0.300 337 F C 2.741 178.426 175.800 -0.192 0.000 1.090 337 F CA 1.609 59.517 58.000 -0.153 0.000 1.293 337 F CB -1.015 37.910 39.000 -0.125 0.000 1.013 337 F HN 0.303 nan 8.300 nan 0.000 0.486 338 S N -1.444 114.213 115.700 -0.071 0.000 2.425 338 S HA -0.074 4.397 4.470 0.001 0.000 0.225 338 S C 1.240 175.524 174.600 -0.528 0.000 1.024 338 S CA 1.135 59.143 58.200 -0.321 0.000 0.951 338 S CB -0.562 62.370 63.200 -0.446 0.000 0.796 338 S HN 0.549 nan 8.310 nan 0.000 0.498 339 H N 0.200 119.240 119.070 -0.050 0.000 3.360 339 H HA 0.439 4.996 4.556 0.001 0.000 0.262 339 H C 1.175 176.438 175.328 -0.109 0.000 1.149 339 H CA -0.177 55.833 56.048 -0.063 0.000 1.181 339 H CB 0.287 30.029 29.762 -0.034 0.000 1.564 339 H HN 0.481 nan 8.280 nan 0.000 0.565 340 G N 1.320 110.066 108.800 -0.090 0.000 2.544 340 G HA2 0.116 4.077 3.960 0.001 0.000 0.242 340 G HA3 0.116 4.077 3.960 0.001 0.000 0.242 340 G C -0.112 174.656 174.900 -0.221 0.000 1.247 340 G CA -0.543 44.469 45.100 -0.147 0.000 0.840 340 G HN 0.054 nan 8.290 nan 0.000 0.578 341 K N 0.701 121.036 120.400 -0.108 0.000 2.218 341 K HA 0.174 4.495 4.320 0.001 0.000 0.276 341 K C -0.404 176.193 176.600 -0.006 0.000 1.022 341 K CA -0.035 56.248 56.287 -0.008 0.000 0.946 341 K CB 1.075 33.621 32.500 0.077 0.000 1.000 341 K HN 0.512 nan 8.250 nan 0.000 0.468 342 Y N 0.792 121.227 120.300 0.225 0.000 2.289 342 Y HA 0.236 4.787 4.550 0.002 0.000 0.332 342 Y C 1.104 177.178 175.900 0.289 0.000 1.324 342 Y CA -0.504 57.749 58.100 0.255 0.000 1.478 342 Y CB 0.592 39.255 38.460 0.338 0.000 1.378 342 Y HN 0.257 nan 8.280 nan 0.000 0.558 343 M N 1.114 121.008 119.600 0.489 0.000 2.404 343 M HA 0.276 4.756 4.480 0.001 0.000 0.338 343 M C -0.845 175.749 176.300 0.491 0.000 1.150 343 M CA -0.825 54.757 55.300 0.470 0.000 1.016 343 M CB 1.820 34.711 32.600 0.486 0.000 1.672 343 M HN 0.588 nan 8.290 nan 0.000 0.448 344 Q N 1.576 121.543 119.800 0.278 0.000 2.235 344 Q HA 0.479 4.820 4.340 0.001 0.000 0.256 344 Q C -0.880 174.796 176.000 -0.539 0.000 0.951 344 Q CA -0.453 55.315 55.803 -0.059 0.000 0.890 344 Q CB 1.652 30.448 28.738 0.097 0.000 1.279 344 Q HN 0.694 nan 8.270 nan 0.000 0.444 345 S N 1.403 116.477 115.700 -1.043 0.000 2.475 345 S HA 0.835 5.306 4.470 0.001 0.000 0.298 345 S C -0.586 173.643 174.600 -0.617 0.000 1.119 345 S CA -0.527 56.851 58.200 -1.370 0.000 1.085 345 S CB 1.688 63.881 63.200 -1.677 0.000 1.028 345 S HN 0.551 nan 8.310 nan 0.000 0.489 346 T N 2.041 116.343 114.554 -0.419 0.000 2.906 346 T HA 0.506 4.857 4.350 0.001 0.000 0.295 346 T C -0.523 174.098 174.700 -0.133 0.000 1.061 346 T CA -0.530 61.445 62.100 -0.208 0.000 1.000 346 T CB 1.801 70.596 68.868 -0.122 0.000 1.103 346 T HN 0.700 nan 8.240 nan 0.000 0.486 347 T N 2.203 116.707 114.554 -0.082 0.000 2.832 347 T HA 0.498 4.849 4.350 0.001 0.000 0.296 347 T C -0.449 174.253 174.700 0.004 0.000 0.968 347 T CA -0.263 61.816 62.100 -0.034 0.000 1.107 347 T CB 0.395 69.241 68.868 -0.037 0.000 0.916 347 T HN 0.327 nan 8.240 nan 0.000 0.517 348 V N 4.829 124.775 119.914 0.053 0.000 2.398 348 V HA 0.294 4.415 4.120 0.001 0.000 0.282 348 V C -0.007 176.185 176.094 0.163 0.000 1.014 348 V CA -0.840 61.510 62.300 0.083 0.000 0.838 348 V CB 1.183 33.047 31.823 0.069 0.000 1.018 348 V HN 0.967 nan 8.190 nan 0.000 0.432 349 E N 4.279 124.546 120.200 0.111 0.000 2.222 349 E HA -0.233 4.118 4.350 0.001 0.000 0.189 349 E C 0.550 177.235 176.600 0.141 0.000 1.415 349 E CA 0.967 57.441 56.400 0.124 0.000 0.689 349 E CB -0.520 29.254 29.700 0.122 0.000 1.107 349 E HN 1.005 nan 8.360 nan 0.000 0.350 350 Q N -1.830 117.988 119.800 0.030 0.000 2.086 350 Q HA 0.168 4.508 4.340 0.001 0.000 0.220 350 Q C 0.753 176.720 176.000 -0.055 0.000 0.792 350 Q CA 0.366 56.172 55.803 0.004 0.000 1.062 350 Q CB 0.515 29.251 28.738 -0.003 0.000 1.198 350 Q HN 0.235 nan 8.270 nan 0.000 0.466 351 S N -1.015 114.591 115.700 -0.156 0.000 2.559 351 S HA 0.225 4.695 4.470 0.001 0.000 0.226 351 S C -0.116 174.273 174.600 -0.352 0.000 1.000 351 S CA -0.339 57.702 58.200 -0.266 0.000 0.948 351 S CB -0.183 62.808 63.200 -0.347 0.000 0.870 351 S HN 0.376 nan 8.310 nan 0.000 0.497 352 H N 1.094 120.169 119.070 0.008 0.000 2.573 352 H HA 0.682 5.238 4.556 0.001 0.000 0.351 352 H C -0.577 174.758 175.328 0.012 0.000 1.163 352 H CA -0.509 55.551 56.048 0.020 0.000 1.205 352 H CB 1.542 31.320 29.762 0.027 0.000 1.605 352 H HN 0.023 nan 8.280 nan 0.000 0.525 353 T N 3.087 117.738 114.554 0.163 0.000 2.812 353 T HA 0.392 4.743 4.350 0.001 0.000 0.282 353 T C -0.475 174.304 174.700 0.132 0.000 0.990 353 T CA -1.136 61.015 62.100 0.086 0.000 0.960 353 T CB 0.909 69.814 68.868 0.063 0.000 0.948 353 T HN 0.301 nan 8.240 nan 0.000 0.438 354 K N 1.875 122.310 120.400 0.058 0.000 2.375 354 K HA 0.436 4.757 4.320 0.001 0.000 0.249 354 K C -1.418 175.204 176.600 0.037 0.000 0.942 354 K CA -0.671 55.687 56.287 0.118 0.000 0.806 354 K CB 2.472 35.023 32.500 0.084 0.000 1.227 354 K HN 0.559 nan 8.250 nan 0.000 0.430 355 W N 1.856 123.166 121.300 0.016 0.000 2.475 355 W HA 0.428 5.089 4.660 0.003 0.000 0.317 355 W C -0.006 176.525 176.519 0.021 0.000 1.046 355 W CA -0.545 56.805 57.345 0.009 0.000 1.215 355 W CB 1.435 30.885 29.460 -0.017 0.000 1.335 355 W HN 0.267 nan 8.180 nan 0.000 0.471 356 V N 0.673 120.705 119.914 0.198 0.000 3.102 356 V HA 0.610 4.731 4.120 0.001 0.000 0.312 356 V C -0.088 176.123 176.094 0.196 0.000 1.135 356 V CA -2.033 60.363 62.300 0.160 0.000 1.022 356 V CB 1.617 33.502 31.823 0.102 0.000 1.056 356 V HN 0.529 nan 8.190 nan 0.000 0.436 357 R N 1.042 121.642 120.500 0.165 0.000 2.570 357 R HA 0.150 4.491 4.340 0.001 0.000 0.277 357 R C -1.204 175.234 176.300 0.229 0.000 1.039 357 R CA -0.164 56.046 56.100 0.182 0.000 1.065 357 R CB 0.150 30.518 30.300 0.114 0.000 0.964 357 R HN 0.903 nan 8.270 nan 0.000 0.428 358 Y N 4.900 125.294 120.300 0.156 0.000 2.350 358 Y HA 0.189 4.739 4.550 0.001 0.000 0.340 358 Y C -0.137 175.843 175.900 0.135 0.000 1.006 358 Y CA -0.369 57.823 58.100 0.153 0.000 1.166 358 Y CB 0.973 39.557 38.460 0.206 0.000 1.168 358 Y HN 0.646 nan 8.280 nan 0.000 0.502 359 N N 3.794 122.299 118.700 -0.324 0.000 2.204 359 N HA 0.143 4.884 4.740 0.001 0.000 0.219 359 N C 0.374 175.576 175.510 -0.514 0.000 1.151 359 N CA 0.229 53.094 53.050 -0.309 0.000 0.867 359 N CB 0.855 39.268 38.487 -0.123 0.000 1.043 359 N HN 0.905 nan 8.380 nan 0.000 0.516 360 G N 1.289 109.382 108.800 -1.179 0.000 2.535 360 G HA2 0.339 4.300 3.960 0.001 0.000 0.282 360 G HA3 0.339 4.300 3.960 0.001 0.000 0.282 360 G C -2.572 172.054 174.900 -0.458 0.000 1.350 360 G CA -0.657 43.955 45.100 -0.814 0.000 1.039 360 G HN -0.037 nan 8.290 nan 0.000 0.509 361 P HA 0.289 nan 4.420 nan 0.000 0.276 361 P C -0.470 176.921 177.300 0.152 0.000 1.243 361 P CA -0.362 62.770 63.100 0.054 0.000 0.768 361 P CB 1.263 33.001 31.700 0.063 0.000 0.856 362 V N 6.916 126.849 119.914 0.033 0.000 2.432 362 V HA 0.247 4.367 4.120 0.001 0.000 0.275 362 V C -1.678 174.285 176.094 -0.218 0.000 1.043 362 V CA -1.431 60.757 62.300 -0.186 0.000 0.925 362 V CB 0.589 32.361 31.823 -0.085 0.000 0.985 362 V HN 0.562 nan 8.190 nan 0.000 0.466 363 P HA 0.261 nan 4.420 nan 0.000 0.271 363 P C -0.756 176.463 177.300 -0.136 0.000 1.233 363 P CA -0.434 62.556 63.100 -0.183 0.000 0.789 363 P CB 0.562 32.153 31.700 -0.182 0.000 0.951 364 K N 1.583 121.946 120.400 -0.062 0.000 2.443 364 K HA 0.387 4.708 4.320 0.001 0.000 0.252 364 K C -2.566 174.023 176.600 -0.017 0.000 0.933 364 K CA -2.175 54.096 56.287 -0.027 0.000 0.792 364 K CB 1.281 33.788 32.500 0.013 0.000 1.185 364 K HN 0.293 nan 8.250 nan 0.000 0.425 365 P HA -0.010 nan 4.420 nan 0.000 0.268 365 P C -0.907 176.341 177.300 -0.086 0.000 1.208 365 P CA -0.181 62.870 63.100 -0.081 0.000 0.777 365 P CB 0.539 32.121 31.700 -0.198 0.000 0.875 366 R N 3.547 124.019 120.500 -0.047 0.000 2.502 366 R HA 0.107 4.448 4.340 0.001 0.000 0.292 366 R C -2.060 174.228 176.300 -0.020 0.000 0.998 366 R CA -0.873 55.209 56.100 -0.031 0.000 1.056 366 R CB -0.779 29.529 30.300 0.014 0.000 0.939 366 R HN 0.333 nan 8.270 nan 0.000 0.411 367 P HA 0.076 nan 4.420 nan 0.000 0.267 367 P C 0.282 177.662 177.300 0.133 0.000 1.205 367 P CA 0.910 64.015 63.100 0.010 0.000 0.765 367 P CB 1.085 32.734 31.700 -0.085 0.000 0.828 368 G N 1.635 110.494 108.800 0.098 0.000 2.225 368 G HA2 -0.209 3.752 3.960 0.001 0.000 0.254 368 G HA3 -0.209 3.752 3.960 0.001 0.000 0.254 368 G C 0.507 175.420 174.900 0.022 0.000 0.988 368 G CA 0.075 45.221 45.100 0.077 0.000 0.625 368 G HN 0.855 nan 8.290 nan 0.000 0.527 369 A N -0.505 122.329 122.820 0.023 0.000 2.346 369 A HA 0.600 4.921 4.320 0.001 0.000 0.252 369 A C 1.135 178.717 177.584 -0.003 0.000 1.089 369 A CA 0.656 52.691 52.037 -0.004 0.000 0.797 369 A CB 0.273 19.270 19.000 -0.005 0.000 1.047 369 A HN 1.087 nan 8.150 nan 0.000 0.494 370 c N 0.279 118.876 118.600 -0.005 0.000 2.403 370 c HA 0.368 4.939 4.570 0.001 0.000 0.361 370 c C 0.662 174.766 174.090 0.024 0.000 1.274 370 c CA -0.603 55.733 56.329 0.012 0.000 2.433 370 c CB -0.021 42.495 42.510 0.009 0.000 2.323 370 c HN 0.606 nan 8.230 nan 0.000 0.614 371 I N 3.718 124.312 120.570 0.040 0.000 2.357 371 I HA 0.121 4.292 4.170 0.001 0.000 0.300 371 I C 0.599 176.748 176.117 0.053 0.000 1.159 371 I CA 0.630 61.962 61.300 0.053 0.000 1.339 371 I CB -1.484 36.556 38.000 0.068 0.000 1.458 371 I HN 0.733 nan 8.210 nan 0.000 0.577 372 D N 3.928 124.359 120.400 0.053 0.000 2.549 372 D HA 0.191 4.831 4.640 0.001 0.000 0.270 372 D C 1.018 177.353 176.300 0.058 0.000 1.181 372 D CA -0.328 53.701 54.000 0.049 0.000 1.070 372 D CB 0.825 41.649 40.800 0.041 0.000 1.154 372 D HN 0.305 nan 8.370 nan 0.000 0.602 373 S N -0.157 115.574 115.700 0.051 0.000 2.374 373 S HA -0.249 4.222 4.470 0.001 0.000 0.227 373 S C 1.549 176.183 174.600 0.057 0.000 1.037 373 S CA 1.242 59.471 58.200 0.049 0.000 1.024 373 S CB -0.651 62.574 63.200 0.041 0.000 0.861 373 S HN 0.624 nan 8.310 nan 0.000 0.456 374 E N 2.001 122.239 120.200 0.064 0.000 2.031 374 E HA -0.114 4.237 4.350 0.001 0.000 0.193 374 E C 2.564 179.231 176.600 0.112 0.000 0.994 374 E CA 1.140 57.585 56.400 0.075 0.000 0.800 374 E CB -0.492 29.251 29.700 0.072 0.000 0.752 374 E HN 0.659 nan 8.360 nan 0.000 0.447 375 A N 1.688 124.594 122.820 0.143 0.000 1.883 375 A HA -0.214 4.107 4.320 0.001 0.000 0.217 375 A C 2.096 179.826 177.584 0.242 0.000 1.186 375 A CA 1.448 53.647 52.037 0.270 0.000 0.624 375 A CB -0.511 18.606 19.000 0.194 0.000 0.822 375 A HN 0.101 nan 8.150 nan 0.000 0.444 376 R N -0.609 119.971 120.500 0.133 0.000 2.152 376 R HA -0.083 4.258 4.340 0.001 0.000 0.232 376 R C 2.359 178.676 176.300 0.027 0.000 1.117 376 R CA 1.055 57.201 56.100 0.077 0.000 0.981 376 R CB -0.421 29.915 30.300 0.060 0.000 0.870 376 R HN 0.540 nan 8.270 nan 0.000 0.451 377 A N 1.156 123.994 122.820 0.031 0.000 1.930 377 A HA 0.012 4.333 4.320 0.001 0.000 0.217 377 A C 1.961 179.520 177.584 -0.041 0.000 1.175 377 A CA 1.392 53.431 52.037 0.003 0.000 0.627 377 A CB -0.180 18.833 19.000 0.021 0.000 0.815 377 A HN 0.328 nan 8.150 nan 0.000 0.443 378 A N -0.194 122.589 122.820 -0.061 0.000 2.412 378 A HA 0.320 4.640 4.320 0.001 0.000 0.253 378 A C 0.414 177.670 177.584 -0.546 0.000 1.334 378 A CA 0.037 51.941 52.037 -0.222 0.000 0.929 378 A CB -0.683 18.258 19.000 -0.099 0.000 0.983 378 A HN 0.489 nan 8.150 nan 0.000 0.508 379 N N -0.918 117.602 118.700 -0.301 0.000 2.727 379 N HA -0.187 4.554 4.740 0.001 0.000 0.249 379 N C -1.389 173.954 175.510 -0.277 0.000 1.048 379 N CA 1.149 54.050 53.050 -0.249 0.000 0.714 379 N CB -1.862 36.507 38.487 -0.196 0.000 0.959 379 N HN 0.603 nan 8.380 nan 0.000 0.544 380 Y N -0.389 119.923 120.300 0.020 0.000 2.369 380 Y HA 0.318 4.868 4.550 0.001 0.000 0.337 380 Y C 1.881 177.795 175.900 0.024 0.000 0.961 380 Y CA -0.479 57.635 58.100 0.023 0.000 1.186 380 Y CB 1.160 39.636 38.460 0.026 0.000 1.139 380 Y HN 0.103 nan 8.280 nan 0.000 0.494 381 T N -2.212 112.440 114.554 0.162 0.000 3.039 381 T HA 0.184 4.535 4.350 0.001 0.000 0.250 381 T C 0.639 175.396 174.700 0.095 0.000 1.052 381 T CA 0.600 62.761 62.100 0.102 0.000 1.125 381 T CB 0.102 69.010 68.868 0.065 0.000 0.908 381 T HN 0.491 nan 8.240 nan 0.000 0.473 382 S N 0.428 116.190 115.700 0.103 0.000 2.638 382 S HA 0.494 4.965 4.470 0.001 0.000 0.274 382 S C 1.194 175.837 174.600 0.072 0.000 1.157 382 S CA 0.069 58.316 58.200 0.079 0.000 0.826 382 S CB 1.370 64.607 63.200 0.062 0.000 1.139 382 S HN 0.306 nan 8.310 nan 0.000 0.474 383 S N 0.979 116.714 115.700 0.058 0.000 2.402 383 S HA -0.121 4.350 4.470 0.001 0.000 0.233 383 S C 1.779 176.406 174.600 0.044 0.000 1.030 383 S CA 1.429 59.657 58.200 0.047 0.000 1.003 383 S CB -1.154 62.088 63.200 0.070 0.000 0.813 383 S HN 0.669 nan 8.310 nan 0.000 0.477 384 L N 1.981 123.233 121.223 0.048 0.000 2.265 384 L HA -0.083 4.258 4.340 0.001 0.000 0.215 384 L C 1.359 178.264 176.870 0.057 0.000 1.117 384 L CA 1.380 56.246 54.840 0.044 0.000 0.782 384 L CB -0.814 41.267 42.059 0.035 0.000 0.914 384 L HN 0.622 nan 8.230 nan 0.000 0.441 385 N N -1.311 117.438 118.700 0.082 0.000 2.275 385 N HA 0.198 4.939 4.740 0.001 0.000 0.236 385 N C -0.160 175.444 175.510 0.157 0.000 1.154 385 N CA -0.227 52.900 53.050 0.128 0.000 0.866 385 N CB 0.064 38.639 38.487 0.148 0.000 1.093 385 N HN 0.117 nan 8.380 nan 0.000 0.515 386 L N 0.485 121.725 121.223 0.028 0.000 2.395 386 L HA 0.442 4.782 4.340 0.001 0.000 0.269 386 L C -1.905 174.943 176.870 -0.036 0.000 1.133 386 L CA -2.021 52.745 54.840 -0.124 0.000 0.812 386 L CB 0.563 42.543 42.059 -0.132 0.000 1.125 386 L HN -0.002 nan 8.230 nan 0.000 0.452 387 P HA 0.026 nan 4.420 nan 0.000 0.269 387 P C -0.220 177.092 177.300 0.019 0.000 1.209 387 P CA -0.246 62.868 63.100 0.025 0.000 0.776 387 P CB 0.544 32.263 31.700 0.033 0.000 0.876 388 D N 1.626 122.049 120.400 0.039 0.000 2.218 388 D HA -0.164 4.476 4.640 0.001 0.000 0.204 388 D C 1.621 177.953 176.300 0.053 0.000 0.976 388 D CA 1.159 55.185 54.000 0.043 0.000 0.853 388 D CB 0.011 40.836 40.800 0.042 0.000 0.939 388 D HN 0.503 nan 8.370 nan 0.000 0.481 389 K N 0.631 121.061 120.400 0.050 0.000 2.009 389 K HA -0.149 4.172 4.320 0.001 0.000 0.210 389 K C 1.868 178.516 176.600 0.079 0.000 1.049 389 K CA 1.593 57.918 56.287 0.063 0.000 0.929 389 K CB -0.103 32.426 32.500 0.049 0.000 0.714 389 K HN -0.036 nan 8.250 nan 0.000 0.440 390 T N 2.206 116.779 114.554 0.032 0.000 2.674 390 T HA -0.117 4.234 4.350 0.001 0.000 0.265 390 T C 1.916 176.665 174.700 0.081 0.000 1.039 390 T CA 1.679 63.786 62.100 0.011 0.000 1.150 390 T CB -0.231 68.598 68.868 -0.065 0.000 0.864 390 T HN 0.180 nan 8.240 nan 0.000 0.427 391 L N 0.778 122.043 121.223 0.070 0.000 2.042 391 L HA -0.162 4.179 4.340 0.001 0.000 0.210 391 L C 2.865 179.818 176.870 0.139 0.000 1.076 391 L CA 1.281 56.184 54.840 0.104 0.000 0.749 391 L CB -0.603 41.504 42.059 0.081 0.000 0.893 391 L HN 0.206 nan 8.230 nan 0.000 0.432 392 Q N -0.020 119.852 119.800 0.121 0.000 2.084 392 Q HA -0.219 4.121 4.340 0.001 0.000 0.202 392 Q C 2.039 178.120 176.000 0.135 0.000 0.978 392 Q CA 1.745 57.615 55.803 0.112 0.000 0.844 392 Q CB -0.423 28.363 28.738 0.080 0.000 0.898 392 Q HN 0.408 nan 8.270 nan 0.000 0.426 393 F N -0.750 119.214 119.950 0.023 0.000 2.046 393 F HA -0.253 4.275 4.527 0.001 0.000 0.297 393 F C 2.184 178.020 175.800 0.061 0.000 1.123 393 F CA 1.753 59.756 58.000 0.005 0.000 1.199 393 F CB -0.630 38.260 39.000 -0.183 0.000 0.972 393 F HN 0.038 nan 8.300 nan 0.000 0.474 394 V N 0.836 120.933 119.914 0.305 0.000 2.332 394 V HA -0.357 3.764 4.120 0.001 0.000 0.248 394 V C 2.466 178.656 176.094 0.160 0.000 1.055 394 V CA 2.559 64.986 62.300 0.211 0.000 1.038 394 V CB -0.588 31.340 31.823 0.175 0.000 0.651 394 V HN 0.480 nan 8.190 nan 0.000 0.450 395 K N -0.615 119.932 120.400 0.245 0.000 2.103 395 K HA -0.204 4.117 4.320 0.001 0.000 0.207 395 K C 1.415 178.194 176.600 0.298 0.000 1.048 395 K CA 2.038 58.570 56.287 0.409 0.000 0.930 395 K CB -0.172 32.517 32.500 0.315 0.000 0.716 395 K HN 0.554 nan 8.250 nan 0.000 0.444 396 D N -0.822 119.599 120.400 0.034 0.000 2.349 396 D HA 0.023 4.664 4.640 0.001 0.000 0.214 396 D C -0.264 175.690 176.300 -0.576 0.000 1.063 396 D CA 0.460 54.315 54.000 -0.241 0.000 0.847 396 D CB 0.420 40.977 40.800 -0.405 0.000 0.933 396 D HN 0.335 nan 8.370 nan 0.000 0.513 397 H N -0.457 118.505 119.070 -0.181 0.000 2.511 397 H HA 0.181 4.737 4.556 0.001 0.000 0.228 397 H C -1.813 173.533 175.328 0.031 0.000 1.424 397 H CA -1.098 54.880 56.048 -0.116 0.000 1.321 397 H CB 1.179 30.660 29.762 -0.468 0.000 1.720 397 H HN -0.072 nan 8.280 nan 0.000 0.512 398 P HA -0.067 nan 4.420 nan 0.000 0.227 398 P C 0.206 177.470 177.300 -0.058 0.000 1.161 398 P CA 0.263 63.286 63.100 -0.128 0.000 0.788 398 P CB 0.859 32.330 31.700 -0.382 0.000 0.822 399 L N 0.667 121.915 121.223 0.040 0.000 2.292 399 L HA 0.351 4.692 4.340 0.001 0.000 0.284 399 L C 0.017 176.957 176.870 0.116 0.000 1.065 399 L CA -0.493 54.343 54.840 -0.006 0.000 0.806 399 L CB 0.454 42.396 42.059 -0.193 0.000 1.175 399 L HN -0.231 nan 8.230 nan 0.000 0.431 400 M N 3.147 122.753 119.600 0.010 0.000 2.277 400 M HA 0.172 4.653 4.480 0.001 0.000 0.350 400 M C 0.775 177.059 176.300 -0.027 0.000 1.180 400 M CA -0.132 55.148 55.300 -0.032 0.000 1.103 400 M CB 0.813 33.300 32.600 -0.189 0.000 1.577 400 M HN 0.634 nan 8.290 nan 0.000 0.459 401 D N 0.935 121.343 120.400 0.013 0.000 2.149 401 D HA -0.074 4.567 4.640 0.001 0.000 0.201 401 D C -0.347 175.936 176.300 -0.028 0.000 0.972 401 D CA 1.118 55.132 54.000 0.024 0.000 0.835 401 D CB 0.499 41.344 40.800 0.075 0.000 0.966 401 D HN 0.519 nan 8.370 nan 0.000 0.476 402 D N 0.373 120.730 120.400 -0.072 0.000 2.345 402 D HA 0.116 4.757 4.640 0.001 0.000 0.247 402 D C -0.188 176.047 176.300 -0.107 0.000 1.108 402 D CA 0.089 54.041 54.000 -0.080 0.000 0.894 402 D CB 1.618 42.364 40.800 -0.090 0.000 1.203 402 D HN 0.001 nan 8.370 nan 0.000 0.430 403 S N 0.397 116.059 115.700 -0.064 0.000 2.610 403 S HA 0.292 4.763 4.470 0.001 0.000 0.273 403 S C 0.185 174.748 174.600 -0.061 0.000 1.274 403 S CA -0.856 57.310 58.200 -0.057 0.000 1.023 403 S CB 1.478 64.678 63.200 -0.000 0.000 0.962 403 S HN 0.186 nan 8.310 nan 0.000 0.523 404 V N 3.326 123.203 119.914 -0.062 0.000 2.348 404 V HA 0.328 4.449 4.120 0.001 0.000 0.270 404 V C 0.660 176.846 176.094 0.153 0.000 1.037 404 V CA -0.603 61.691 62.300 -0.010 0.000 0.872 404 V CB 0.482 32.254 31.823 -0.086 0.000 1.002 404 V HN 1.053 nan 8.190 nan 0.000 0.464 405 T N 4.871 119.541 114.554 0.193 0.000 2.928 405 T HA 0.614 4.965 4.350 0.001 0.000 0.284 405 T C -2.468 172.354 174.700 0.204 0.000 1.008 405 T CA -2.071 60.154 62.100 0.209 0.000 1.057 405 T CB 1.960 70.871 68.868 0.072 0.000 1.018 405 T HN 0.451 nan 8.240 nan 0.000 0.493 406 P HA 0.360 nan 4.420 nan 0.000 0.276 406 P C -0.115 177.053 177.300 -0.220 0.000 1.252 406 P CA -0.790 62.019 63.100 -0.486 0.000 0.802 406 P CB 0.547 31.868 31.700 -0.630 0.000 1.035 407 I N 1.320 121.752 120.570 -0.230 0.000 2.710 407 I HA -0.104 4.067 4.170 0.001 0.000 0.286 407 I C 0.885 176.935 176.117 -0.112 0.000 1.181 407 I CA 0.988 62.211 61.300 -0.129 0.000 1.430 407 I CB -0.483 37.441 38.000 -0.127 0.000 1.367 407 I HN 0.486 nan 8.210 nan 0.000 0.577 408 D N 4.170 124.532 120.400 -0.063 0.000 3.059 408 D HA -0.260 4.381 4.640 0.001 0.000 0.220 408 D C 0.630 176.900 176.300 -0.050 0.000 1.169 408 D CA 1.147 55.122 54.000 -0.042 0.000 0.902 408 D CB -1.263 39.522 40.800 -0.025 0.000 1.116 408 D HN 0.863 nan 8.370 nan 0.000 0.417 409 N N -0.085 118.576 118.700 -0.064 0.000 2.678 409 N HA -0.288 4.452 4.740 0.001 0.000 0.249 409 N C -0.377 175.092 175.510 -0.069 0.000 1.119 409 N CA 2.082 55.096 53.050 -0.060 0.000 0.718 409 N CB -0.426 38.039 38.487 -0.036 0.000 1.060 409 N HN 0.815 nan 8.380 nan 0.000 0.552 410 R N -2.710 117.735 120.500 -0.092 0.000 2.710 410 R HA 0.622 4.963 4.340 0.001 0.000 0.270 410 R C -3.222 173.011 176.300 -0.112 0.000 1.021 410 R CA -1.683 54.367 56.100 -0.082 0.000 0.889 410 R CB 0.746 31.015 30.300 -0.053 0.000 1.243 410 R HN -0.146 nan 8.270 nan 0.000 0.464 411 P HA 0.155 nan 4.420 nan 0.000 0.269 411 P C 0.081 177.335 177.300 -0.075 0.000 1.215 411 P CA -0.561 62.480 63.100 -0.098 0.000 0.780 411 P CB 0.628 32.281 31.700 -0.079 0.000 0.898 412 R N 1.072 121.532 120.500 -0.065 0.000 2.153 412 R HA 0.192 4.532 4.340 0.001 0.000 0.218 412 R C 0.512 176.815 176.300 0.005 0.000 1.072 412 R CA 0.607 56.695 56.100 -0.021 0.000 0.990 412 R CB -0.554 29.759 30.300 0.022 0.000 0.889 412 R HN 0.474 nan 8.270 nan 0.000 0.452 413 L N 0.074 121.296 121.223 -0.002 0.000 2.549 413 L HA 0.467 4.808 4.340 0.001 0.000 0.259 413 L C -1.735 175.127 176.870 -0.013 0.000 0.934 413 L CA -0.517 54.334 54.840 0.018 0.000 0.865 413 L CB 1.965 44.053 42.059 0.048 0.000 1.352 413 L HN -0.150 nan 8.230 nan 0.000 0.410 414 I N 4.050 124.622 120.570 0.003 0.000 2.478 414 I HA 0.481 4.652 4.170 0.001 0.000 0.287 414 I C -0.912 175.314 176.117 0.183 0.000 1.042 414 I CA -0.550 60.747 61.300 -0.005 0.000 1.067 414 I CB 2.011 39.953 38.000 -0.097 0.000 1.233 414 I HN 0.404 nan 8.210 nan 0.000 0.431 415 K N 6.820 127.358 120.400 0.230 0.000 2.371 415 K HA 0.588 4.908 4.320 0.001 0.000 0.251 415 K C -1.168 175.560 176.600 0.214 0.000 0.934 415 K CA -0.728 55.708 56.287 0.248 0.000 0.798 415 K CB 1.656 34.266 32.500 0.183 0.000 1.204 415 K HN 0.542 nan 8.250 nan 0.000 0.427 416 K N 1.899 122.378 120.400 0.132 0.000 2.221 416 K HA 0.463 4.784 4.320 0.001 0.000 0.243 416 K C -0.963 175.607 176.600 -0.050 0.000 0.968 416 K CA -0.629 55.655 56.287 -0.005 0.000 0.846 416 K CB 1.169 33.537 32.500 -0.220 0.000 1.141 416 K HN 0.638 nan 8.250 nan 0.000 0.434 417 D N -0.908 119.458 120.400 -0.057 0.000 2.981 417 D HA -0.147 4.494 4.640 0.001 0.000 0.223 417 D C -0.813 175.437 176.300 -0.083 0.000 1.151 417 D CA 0.659 54.625 54.000 -0.057 0.000 0.827 417 D CB -1.446 39.325 40.800 -0.048 0.000 1.101 417 D HN 0.298 nan 8.370 nan 0.000 0.426 418 V N 0.595 120.421 119.914 -0.147 0.000 2.817 418 V HA 0.299 4.419 4.120 0.001 0.000 0.303 418 V C -1.362 174.538 176.094 -0.322 0.000 1.151 418 V CA -0.825 61.302 62.300 -0.288 0.000 0.929 418 V CB 2.173 33.689 31.823 -0.511 0.000 1.030 418 V HN 0.020 nan 8.190 nan 0.000 0.427 419 N N 5.476 124.046 118.700 -0.216 0.000 2.678 419 N HA 0.341 5.082 4.740 0.001 0.000 0.231 419 N C -1.114 174.365 175.510 -0.050 0.000 1.038 419 N CA -0.195 52.798 53.050 -0.095 0.000 0.932 419 N CB 0.708 39.189 38.487 -0.009 0.000 1.176 419 N HN 0.522 nan 8.380 nan 0.000 0.511 420 Y N 0.711 121.012 120.300 0.002 0.000 2.425 420 Y HA 0.027 4.578 4.550 0.001 0.000 0.331 420 Y C 2.175 178.086 175.900 0.018 0.000 1.157 420 Y CA -0.276 57.816 58.100 -0.015 0.000 1.372 420 Y CB 0.685 39.127 38.460 -0.029 0.000 1.253 420 Y HN 0.411 nan 8.280 nan 0.000 0.536 421 T N -1.356 113.322 114.554 0.207 0.000 3.071 421 T HA 0.226 4.577 4.350 0.001 0.000 0.239 421 T C 0.395 175.156 174.700 0.100 0.000 0.997 421 T CA 0.106 62.287 62.100 0.135 0.000 1.134 421 T CB 0.530 69.475 68.868 0.127 0.000 0.928 421 T HN 0.506 nan 8.240 nan 0.000 0.453 422 Q N -0.249 119.601 119.800 0.084 0.000 2.456 422 Q HA 0.679 5.019 4.340 0.001 0.000 0.284 422 Q C -1.875 174.126 176.000 0.002 0.000 1.061 422 Q CA -0.773 55.063 55.803 0.054 0.000 0.799 422 Q CB 3.450 32.241 28.738 0.090 0.000 1.445 422 Q HN 0.457 nan 8.270 nan 0.000 0.411 423 I N 0.946 121.502 120.570 -0.022 0.000 2.769 423 I HA 0.649 4.820 4.170 0.001 0.000 0.298 423 I C -1.390 174.627 176.117 -0.166 0.000 1.128 423 I CA -0.947 60.298 61.300 -0.092 0.000 1.031 423 I CB 2.087 40.030 38.000 -0.095 0.000 1.235 423 I HN 0.476 nan 8.210 nan 0.000 0.423 424 V N 4.491 124.179 119.914 -0.377 0.000 2.971 424 V HA 0.785 4.906 4.120 0.001 0.000 0.309 424 V C -1.543 174.011 176.094 -0.900 0.000 1.130 424 V CA -0.561 61.152 62.300 -0.979 0.000 0.964 424 V CB 1.617 33.096 31.823 -0.573 0.000 1.029 424 V HN 0.469 nan 8.190 nan 0.000 0.427 425 V N 2.327 121.364 119.914 -1.462 0.000 2.686 425 V HA 0.625 4.746 4.120 0.001 0.000 0.306 425 V C -1.217 174.726 176.094 -0.251 0.000 1.065 425 V CA -0.178 61.736 62.300 -0.644 0.000 0.894 425 V CB 1.744 33.104 31.823 -0.771 0.000 1.004 425 V HN 1.158 nan 8.190 nan 0.000 0.424 426 D N 3.038 123.428 120.400 -0.017 0.000 2.408 426 D HA 0.323 4.964 4.640 0.001 0.000 0.243 426 D C -0.120 176.217 176.300 0.061 0.000 1.075 426 D CA -0.569 53.491 54.000 0.100 0.000 0.832 426 D CB 1.431 42.376 40.800 0.242 0.000 1.162 426 D HN 0.496 nan 8.370 nan 0.000 0.515 427 R N 3.411 123.943 120.500 0.052 0.000 2.248 427 R HA 0.317 4.658 4.340 0.001 0.000 0.337 427 R C -0.801 175.523 176.300 0.041 0.000 1.085 427 R CA -0.048 56.069 56.100 0.029 0.000 0.934 427 R CB 0.467 30.782 30.300 0.025 0.000 1.034 427 R HN 0.407 nan 8.270 nan 0.000 0.465 428 T N 2.909 117.487 114.554 0.040 0.000 2.829 428 T HA 0.146 4.497 4.350 0.001 0.000 0.280 428 T C -0.999 173.747 174.700 0.078 0.000 0.999 428 T CA -0.577 61.560 62.100 0.062 0.000 0.983 428 T CB 1.548 70.469 68.868 0.088 0.000 0.968 428 T HN 0.604 nan 8.240 nan 0.000 0.446 429 Q N 2.868 122.726 119.800 0.097 0.000 2.279 429 Q HA 0.685 5.026 4.340 0.001 0.000 0.256 429 Q C -0.090 176.067 176.000 0.262 0.000 0.937 429 Q CA -0.436 55.459 55.803 0.153 0.000 0.933 429 Q CB 1.049 29.873 28.738 0.143 0.000 1.189 429 Q HN 0.830 nan 8.270 nan 0.000 0.417 430 A N 3.683 126.628 122.820 0.208 0.000 2.251 430 A HA 0.194 4.514 4.320 0.001 0.000 0.278 430 A C 0.662 178.310 177.584 0.107 0.000 1.206 430 A CA -0.400 51.743 52.037 0.177 0.000 0.822 430 A CB 0.020 19.170 19.000 0.251 0.000 1.187 430 A HN 1.031 nan 8.150 nan 0.000 0.504 431 L N -1.097 120.154 121.223 0.047 0.000 2.046 431 L HA -0.170 4.171 4.340 0.001 0.000 0.208 431 L C 2.093 178.980 176.870 0.028 0.000 1.077 431 L CA 2.361 57.204 54.840 0.005 0.000 0.747 431 L CB -0.266 41.793 42.059 -0.001 0.000 0.896 431 L HN 0.953 nan 8.230 nan 0.000 0.432 432 D N -0.623 119.804 120.400 0.046 0.000 2.218 432 D HA -0.109 4.532 4.640 0.001 0.000 0.204 432 D C 1.623 177.944 176.300 0.035 0.000 0.976 432 D CA 1.383 55.407 54.000 0.040 0.000 0.853 432 D CB 0.045 40.878 40.800 0.055 0.000 0.939 432 D HN 0.475 nan 8.370 nan 0.000 0.481 433 G N -1.385 107.446 108.800 0.052 0.000 2.194 433 G HA2 -0.233 3.728 3.960 0.001 0.000 0.236 433 G HA3 -0.233 3.728 3.960 0.001 0.000 0.236 433 G C 0.422 175.325 174.900 0.005 0.000 0.987 433 G CA 0.357 45.482 45.100 0.042 0.000 0.635 433 G HN 0.409 nan 8.290 nan 0.000 0.520 434 T N 2.175 116.720 114.554 -0.015 0.000 2.799 434 T HA 0.450 4.801 4.350 0.001 0.000 0.296 434 T C 0.773 175.329 174.700 -0.239 0.000 0.947 434 T CA 0.268 62.280 62.100 -0.148 0.000 1.141 434 T CB 1.788 70.544 68.868 -0.186 0.000 0.891 434 T HN 0.836 nan 8.240 nan 0.000 0.533 435 V N 4.181 123.934 119.914 -0.268 0.000 2.488 435 V HA 0.328 4.448 4.120 0.001 0.000 0.277 435 V C -0.570 175.285 176.094 -0.399 0.000 1.046 435 V CA -0.763 61.411 62.300 -0.209 0.000 0.986 435 V CB -0.552 31.206 31.823 -0.108 0.000 0.989 435 V HN 0.692 nan 8.190 nan 0.000 0.475 436 Y N 1.399 121.661 120.300 -0.064 0.000 2.393 436 Y HA 0.491 5.042 4.550 0.001 0.000 0.341 436 Y C 0.039 175.878 175.900 -0.102 0.000 0.988 436 Y CA -1.038 57.007 58.100 -0.091 0.000 1.078 436 Y CB 1.654 40.035 38.460 -0.133 0.000 1.203 436 Y HN 0.579 nan 8.280 nan 0.000 0.453 437 D N 2.721 123.151 120.400 0.049 0.000 2.428 437 D HA 0.245 4.885 4.640 0.001 0.000 0.221 437 D C -0.727 175.504 176.300 -0.115 0.000 1.123 437 D CA -0.118 53.857 54.000 -0.043 0.000 0.869 437 D CB 1.247 42.034 40.800 -0.022 0.000 1.032 437 D HN 0.155 nan 8.370 nan 0.000 0.506 438 V N 3.974 123.796 119.914 -0.154 0.000 2.405 438 V HA 0.139 4.260 4.120 0.001 0.000 0.264 438 V C 0.760 176.655 176.094 -0.333 0.000 1.048 438 V CA -0.201 61.939 62.300 -0.266 0.000 0.966 438 V CB 0.194 31.841 31.823 -0.293 0.000 1.015 438 V HN 0.375 nan 8.190 nan 0.000 0.477 439 M N 6.374 125.745 119.600 -0.383 0.000 2.077 439 M HA 0.454 4.935 4.480 0.001 0.000 0.348 439 M C -0.967 175.092 176.300 -0.402 0.000 1.252 439 M CA 0.127 55.221 55.300 -0.343 0.000 1.096 439 M CB 0.388 32.846 32.600 -0.236 0.000 1.568 439 M HN 0.418 nan 8.290 nan 0.000 0.456 440 F N 3.568 123.385 119.950 -0.221 0.000 2.371 440 F HA 0.456 4.984 4.527 0.001 0.000 0.363 440 F C 0.164 175.850 175.800 -0.189 0.000 1.122 440 F CA -0.975 56.934 58.000 -0.152 0.000 1.129 440 F CB 0.827 39.747 39.000 -0.132 0.000 1.173 440 F HN 0.295 nan 8.300 nan 0.000 0.489 441 V N 0.852 120.719 119.914 -0.078 0.000 2.444 441 V HA 0.690 4.811 4.120 0.001 0.000 0.294 441 V C -0.130 175.898 176.094 -0.110 0.000 1.022 441 V CA -0.948 61.192 62.300 -0.267 0.000 0.850 441 V CB 0.932 32.267 31.823 -0.814 0.000 0.992 441 V HN 0.670 nan 8.190 nan 0.000 0.426 442 S N 3.258 118.965 115.700 0.012 0.000 2.610 442 S HA 0.794 5.265 4.470 0.001 0.000 0.273 442 S C 0.261 174.989 174.600 0.212 0.000 1.274 442 S CA 0.100 58.384 58.200 0.140 0.000 1.023 442 S CB 1.518 64.812 63.200 0.157 0.000 0.962 442 S HN 1.552 nan 8.310 nan 0.000 0.523 443 T N -1.923 112.755 114.554 0.208 0.000 2.940 443 T HA 0.437 4.787 4.350 0.001 0.000 0.288 443 T C 0.137 174.926 174.700 0.147 0.000 1.045 443 T CA -0.466 61.737 62.100 0.172 0.000 1.018 443 T CB 1.292 70.216 68.868 0.093 0.000 1.151 443 T HN 0.654 nan 8.240 nan 0.000 0.529 444 D N -0.313 120.151 120.400 0.106 0.000 2.338 444 D HA 0.008 4.649 4.640 0.001 0.000 0.239 444 D C 0.880 177.248 176.300 0.114 0.000 1.095 444 D CA -0.074 53.984 54.000 0.097 0.000 0.888 444 D CB -0.003 40.841 40.800 0.073 0.000 0.899 444 D HN 0.431 nan 8.370 nan 0.000 0.525 445 R N -0.407 120.188 120.500 0.158 0.000 2.629 445 R HA 0.312 4.653 4.340 0.001 0.000 0.408 445 R C 0.857 177.360 176.300 0.338 0.000 1.057 445 R CA 0.244 56.485 56.100 0.236 0.000 1.119 445 R CB 0.585 30.997 30.300 0.187 0.000 1.403 445 R HN 0.235 nan 8.270 nan 0.000 0.576 446 G N 1.227 110.198 108.800 0.286 0.000 2.198 446 G HA2 -0.285 3.676 3.960 0.001 0.000 0.257 446 G HA3 -0.285 3.676 3.960 0.001 0.000 0.257 446 G C 0.007 175.155 174.900 0.414 0.000 1.042 446 G CA 0.397 45.741 45.100 0.406 0.000 0.791 446 G HN 0.514 nan 8.290 nan 0.000 0.502 447 A N -0.981 122.042 122.820 0.339 0.000 2.354 447 A HA 0.953 5.274 4.320 0.001 0.000 0.321 447 A C -0.551 177.232 177.584 0.332 0.000 1.125 447 A CA -0.619 51.621 52.037 0.339 0.000 0.799 447 A CB 1.952 21.169 19.000 0.361 0.000 1.293 447 A HN 1.529 nan 8.150 nan 0.000 0.452 448 L N 1.343 122.790 121.223 0.373 0.000 2.381 448 L HA 0.507 4.848 4.340 0.001 0.000 0.274 448 L C -0.833 176.318 176.870 0.469 0.000 0.988 448 L CA 0.034 55.088 54.840 0.357 0.000 0.824 448 L CB 1.398 43.634 42.059 0.295 0.000 1.263 448 L HN 0.813 nan 8.230 nan 0.000 0.410 449 H N 3.702 122.860 119.070 0.146 0.000 2.472 449 H HA 0.390 4.947 4.556 0.001 0.000 0.338 449 H C -0.947 174.350 175.328 -0.052 0.000 1.133 449 H CA -1.008 55.086 56.048 0.077 0.000 1.216 449 H CB 2.171 32.000 29.762 0.113 0.000 1.497 449 H HN 0.423 nan 8.280 nan 0.000 0.500 450 K N 2.233 122.617 120.400 -0.026 0.000 2.367 450 K HA 0.574 4.895 4.320 0.001 0.000 0.263 450 K C -1.484 174.953 176.600 -0.272 0.000 1.000 450 K CA -0.530 55.586 56.287 -0.286 0.000 0.891 450 K CB 0.997 33.331 32.500 -0.276 0.000 1.117 450 K HN 0.685 nan 8.250 nan 0.000 0.443 451 A N 4.474 127.118 122.820 -0.294 0.000 2.435 451 A HA 0.771 5.092 4.320 0.001 0.000 0.304 451 A C -0.951 176.509 177.584 -0.206 0.000 1.064 451 A CA -0.932 50.975 52.037 -0.216 0.000 0.727 451 A CB 0.710 19.643 19.000 -0.112 0.000 1.284 451 A HN 0.790 nan 8.150 nan 0.000 0.415 452 I N -1.571 118.917 120.570 -0.137 0.000 2.686 452 I HA 0.615 4.786 4.170 0.001 0.000 0.295 452 I C -0.237 175.892 176.117 0.020 0.000 1.114 452 I CA -0.574 60.688 61.300 -0.064 0.000 1.038 452 I CB 2.463 40.398 38.000 -0.108 0.000 1.238 452 I HN 0.293 nan 8.210 nan 0.000 0.420 453 S N 5.683 121.417 115.700 0.057 0.000 2.701 453 S HA 0.431 4.902 4.470 0.001 0.000 0.317 453 S C 0.240 174.885 174.600 0.074 0.000 1.149 453 S CA -0.459 57.772 58.200 0.051 0.000 1.052 453 S CB -0.454 62.763 63.200 0.028 0.000 1.257 453 S HN 0.478 nan 8.310 nan 0.000 0.532 454 L N 2.424 123.692 121.223 0.076 0.000 2.420 454 L HA 0.227 4.567 4.340 0.001 0.000 0.198 454 L C 1.149 178.025 176.870 0.011 0.000 1.165 454 L CA -0.289 54.601 54.840 0.083 0.000 0.863 454 L CB 0.160 42.237 42.059 0.030 0.000 1.371 454 L HN 0.477 nan 8.230 nan 0.000 0.536 455 E N 0.395 120.601 120.200 0.010 0.000 2.168 455 E HA -0.089 4.262 4.350 0.001 0.000 0.254 455 E C -0.392 176.238 176.600 0.050 0.000 1.228 455 E CA 0.238 56.623 56.400 -0.025 0.000 0.956 455 E CB -0.403 29.324 29.700 0.045 0.000 1.031 455 E HN 0.443 nan 8.360 nan 0.000 0.441 456 H N -0.147 118.933 119.070 0.017 0.000 2.822 456 H HA -0.247 4.310 4.556 0.001 0.000 0.295 456 H C -0.591 174.744 175.328 0.011 0.000 1.151 456 H CA 0.821 56.873 56.048 0.008 0.000 1.151 456 H CB -1.481 28.280 29.762 -0.002 0.000 1.343 456 H HN 0.418 nan 8.280 nan 0.000 0.382 457 A N -0.105 122.756 122.820 0.069 0.000 2.566 457 A HA 0.551 4.872 4.320 0.001 0.000 0.297 457 A C -0.224 177.394 177.584 0.058 0.000 1.059 457 A CA -0.404 51.670 52.037 0.062 0.000 0.691 457 A CB 1.659 20.694 19.000 0.059 0.000 1.282 457 A HN 0.062 nan 8.150 nan 0.000 0.401 458 V N 2.346 122.299 119.914 0.064 0.000 2.614 458 V HA 0.293 4.414 4.120 0.001 0.000 0.291 458 V C 0.090 176.252 176.094 0.113 0.000 1.049 458 V CA 0.229 62.572 62.300 0.072 0.000 1.038 458 V CB 0.894 32.756 31.823 0.065 0.000 0.980 458 V HN 0.949 nan 8.190 nan 0.000 0.481 459 H N 4.834 123.891 119.070 -0.023 0.000 2.708 459 H HA 0.501 5.058 4.556 0.001 0.000 0.320 459 H C -0.611 174.686 175.328 -0.052 0.000 0.991 459 H CA -0.890 55.132 56.048 -0.043 0.000 1.243 459 H CB 0.924 30.642 29.762 -0.073 0.000 1.446 459 H HN 0.562 nan 8.280 nan 0.000 0.502 460 I N 7.960 128.350 120.570 -0.299 0.000 2.256 460 I HA 0.060 4.230 4.170 0.001 0.000 0.294 460 I C 1.197 177.004 176.117 -0.517 0.000 1.127 460 I CA -0.149 60.967 61.300 -0.306 0.000 1.247 460 I CB 0.388 38.316 38.000 -0.119 0.000 1.460 460 I HN 0.719 nan 8.210 nan 0.000 0.511 461 I N 4.534 124.711 120.570 -0.655 0.000 2.113 461 I HA -0.274 3.897 4.170 0.001 0.000 0.242 461 I C 1.027 177.042 176.117 -0.170 0.000 1.064 461 I CA 1.713 62.726 61.300 -0.478 0.000 1.320 461 I CB -0.129 37.719 38.000 -0.253 0.000 1.028 461 I HN 0.710 nan 8.210 nan 0.000 0.406 462 E N 0.283 120.415 120.200 -0.114 0.000 2.429 462 E HA 0.457 4.808 4.350 0.001 0.000 0.280 462 E C -1.254 175.303 176.600 -0.072 0.000 1.068 462 E CA -0.992 55.375 56.400 -0.055 0.000 0.837 462 E CB 1.396 31.259 29.700 0.272 0.000 1.357 462 E HN 0.258 nan 8.360 nan 0.000 0.455 463 E N 0.481 120.624 120.200 -0.096 0.000 2.314 463 E HA 0.617 4.968 4.350 0.001 0.000 0.272 463 E C -1.331 175.370 176.600 0.170 0.000 0.884 463 E CA -0.877 55.511 56.400 -0.021 0.000 0.753 463 E CB 2.303 31.836 29.700 -0.278 0.000 1.213 463 E HN 0.403 nan 8.360 nan 0.000 0.432 464 T N 2.120 116.856 114.554 0.303 0.000 2.881 464 T HA 0.185 4.536 4.350 0.001 0.000 0.290 464 T C -0.897 173.962 174.700 0.265 0.000 1.000 464 T CA -0.745 61.552 62.100 0.327 0.000 0.978 464 T CB 1.523 70.638 68.868 0.413 0.000 0.997 464 T HN 0.501 nan 8.240 nan 0.000 0.443 465 Q N 3.241 123.177 119.800 0.226 0.000 2.452 465 Q HA 0.318 4.659 4.340 0.001 0.000 0.230 465 Q C 0.779 176.901 176.000 0.202 0.000 1.180 465 Q CA -0.147 55.800 55.803 0.239 0.000 0.914 465 Q CB -0.478 28.409 28.738 0.247 0.000 1.408 465 Q HN 0.697 nan 8.270 nan 0.000 0.520 466 L N 2.217 123.545 121.223 0.177 0.000 2.046 466 L HA -0.020 4.321 4.340 0.001 0.000 0.208 466 L C 0.128 176.934 176.870 -0.107 0.000 1.077 466 L CA 0.865 55.703 54.840 -0.003 0.000 0.747 466 L CB -0.123 41.923 42.059 -0.022 0.000 0.896 466 L HN 0.489 nan 8.230 nan 0.000 0.432 467 F N -0.505 119.528 119.950 0.139 0.000 2.402 467 F HA 0.235 4.763 4.527 0.001 0.000 0.355 467 F C 1.232 176.902 175.800 -0.216 0.000 1.123 467 F CA -0.602 57.395 58.000 -0.004 0.000 1.021 467 F CB 1.299 40.297 39.000 -0.005 0.000 1.160 467 F HN -0.148 nan 8.300 nan 0.000 0.451 468 Q N 0.884 120.529 119.800 -0.259 0.000 2.364 468 Q HA -0.164 4.176 4.340 0.001 0.000 0.209 468 Q C 0.826 176.442 176.000 -0.641 0.000 0.977 468 Q CA 1.308 56.831 55.803 -0.468 0.000 0.885 468 Q CB -0.064 28.385 28.738 -0.481 0.000 0.941 468 Q HN 0.653 nan 8.270 nan 0.000 0.464 469 D N -1.184 118.975 120.400 -0.402 0.000 2.368 469 D HA -0.048 4.593 4.640 0.001 0.000 0.218 469 D C -0.360 175.840 176.300 -0.167 0.000 1.112 469 D CA -0.522 53.300 54.000 -0.297 0.000 0.834 469 D CB -0.304 40.449 40.800 -0.077 0.000 0.953 469 D HN 0.149 nan 8.370 nan 0.000 0.505 470 F N -0.305 119.725 119.950 0.133 0.000 3.100 470 F HA -0.225 4.303 4.527 0.001 0.000 0.284 470 F C 0.396 176.237 175.800 0.069 0.000 0.875 470 F CA 0.218 58.289 58.000 0.119 0.000 1.039 470 F CB -2.250 36.802 39.000 0.086 0.000 1.111 470 F HN -0.005 nan 8.300 nan 0.000 0.575 471 E N 1.836 122.087 120.200 0.085 0.000 2.366 471 E HA 0.163 4.514 4.350 0.001 0.000 0.266 471 E C -1.994 174.546 176.600 -0.100 0.000 1.015 471 E CA -1.838 54.524 56.400 -0.064 0.000 0.906 471 E CB 0.530 30.073 29.700 -0.262 0.000 0.979 471 E HN -0.018 nan 8.360 nan 0.000 0.443 472 P HA -0.033 nan 4.420 nan 0.000 0.264 472 P C -0.419 176.859 177.300 -0.037 0.000 1.193 472 P CA -0.066 63.045 63.100 0.018 0.000 0.763 472 P CB 0.478 32.208 31.700 0.050 0.000 0.810 473 V N 5.208 125.150 119.914 0.046 0.000 2.403 473 V HA -0.039 4.082 4.120 0.001 0.000 0.265 473 V C 1.570 177.727 176.094 0.104 0.000 1.034 473 V CA 0.743 63.096 62.300 0.088 0.000 1.036 473 V CB -0.173 31.779 31.823 0.215 0.000 1.032 473 V HN 0.602 nan 8.190 nan 0.000 0.478 474 Q N 2.356 122.215 119.800 0.098 0.000 2.096 474 Q HA 0.011 4.352 4.340 0.001 0.000 0.197 474 Q C 1.049 177.144 176.000 0.158 0.000 0.964 474 Q CA 1.002 56.884 55.803 0.132 0.000 0.838 474 Q CB 0.206 29.035 28.738 0.151 0.000 0.906 474 Q HN 0.711 nan 8.270 nan 0.000 0.444 475 T N -0.294 114.369 114.554 0.182 0.000 2.900 475 T HA 0.569 4.920 4.350 0.001 0.000 0.295 475 T C -1.989 172.830 174.700 0.200 0.000 1.044 475 T CA -0.634 61.582 62.100 0.194 0.000 0.995 475 T CB 1.250 70.249 68.868 0.219 0.000 1.072 475 T HN 0.001 nan 8.240 nan 0.000 0.473 476 L N 4.422 125.754 121.223 0.182 0.000 2.431 476 L HA 0.910 5.251 4.340 0.001 0.000 0.266 476 L C -1.953 175.024 176.870 0.178 0.000 0.978 476 L CA -0.777 54.163 54.840 0.168 0.000 0.822 476 L CB 1.925 44.056 42.059 0.120 0.000 1.310 476 L HN 0.651 nan 8.230 nan 0.000 0.409 477 L N 4.988 126.326 121.223 0.191 0.000 2.516 477 L HA 0.623 4.964 4.340 0.001 0.000 0.267 477 L C -1.995 175.015 176.870 0.234 0.000 0.957 477 L CA -0.305 54.669 54.840 0.224 0.000 0.860 477 L CB 1.818 44.007 42.059 0.216 0.000 1.265 477 L HN 0.642 nan 8.230 nan 0.000 0.403 478 L N 3.804 125.134 121.223 0.178 0.000 2.289 478 L HA 0.742 5.083 4.340 0.001 0.000 0.285 478 L C -0.250 176.713 176.870 0.156 0.000 1.049 478 L CA 0.262 55.152 54.840 0.084 0.000 0.804 478 L CB 1.724 43.770 42.059 -0.022 0.000 1.195 478 L HN 0.771 nan 8.230 nan 0.000 0.428 479 S N 1.842 117.622 115.700 0.134 0.000 2.622 479 S HA 0.248 4.719 4.470 0.001 0.000 0.283 479 S C 0.667 175.278 174.600 0.018 0.000 1.197 479 S CA -0.088 58.197 58.200 0.142 0.000 1.146 479 S CB 0.551 63.931 63.200 0.300 0.000 1.007 479 S HN 0.806 nan 8.310 nan 0.000 0.478 480 S N 3.351 119.055 115.700 0.007 0.000 2.593 480 S HA 0.190 4.661 4.470 0.001 0.000 0.217 480 S C 0.673 175.247 174.600 -0.043 0.000 0.966 480 S CA -0.305 57.870 58.200 -0.041 0.000 0.914 480 S CB -0.226 62.976 63.200 0.003 0.000 0.776 480 S HN 0.714 nan 8.310 nan 0.000 0.523 481 K N 2.705 123.096 120.400 -0.014 0.000 2.489 481 K HA 0.001 4.322 4.320 0.001 0.000 0.278 481 K C -0.277 176.300 176.600 -0.039 0.000 1.000 481 K CA -0.049 56.232 56.287 -0.011 0.000 1.012 481 K CB 0.371 32.882 32.500 0.020 0.000 0.903 481 K HN 0.155 nan 8.250 nan 0.000 0.485 482 K N 2.635 123.015 120.400 -0.034 0.000 2.477 482 K HA -0.127 4.194 4.320 0.001 0.000 0.275 482 K C 0.957 177.534 176.600 -0.038 0.000 1.054 482 K CA 1.124 57.388 56.287 -0.040 0.000 1.135 482 K CB -0.035 32.452 32.500 -0.023 0.000 0.854 482 K HN 0.996 nan 8.250 nan 0.000 0.484 483 G N 3.629 112.389 108.800 -0.066 0.000 4.677 483 G HA2 -0.333 3.628 3.960 0.001 0.000 0.215 483 G HA3 -0.333 3.628 3.960 0.001 0.000 0.215 483 G C 0.138 174.984 174.900 -0.089 0.000 1.506 483 G CA 0.069 45.135 45.100 -0.057 0.000 1.016 483 G HN 0.745 nan 8.290 nan 0.000 0.653 484 N N 1.806 120.499 118.700 -0.011 0.000 3.254 484 N HA 0.202 4.943 4.740 0.001 0.000 0.308 484 N C -0.106 175.339 175.510 -0.108 0.000 1.281 484 N CA -0.113 53.000 53.050 0.105 0.000 1.212 484 N CB 0.065 38.709 38.487 0.262 0.000 1.478 484 N HN 0.529 nan 8.380 nan 0.000 0.548 485 R N 1.730 121.892 120.500 -0.564 0.000 2.308 485 R HA 0.288 4.629 4.340 0.001 0.000 0.325 485 R C -1.002 174.694 176.300 -1.008 0.000 1.161 485 R CA 0.026 55.768 56.100 -0.597 0.000 1.022 485 R CB 0.052 30.045 30.300 -0.512 0.000 1.091 485 R HN 0.286 nan 8.270 nan 0.000 0.497 486 F N -0.003 119.753 119.950 -0.324 0.000 2.643 486 F HA 0.425 4.953 4.527 0.001 0.000 0.314 486 F C -0.251 175.162 175.800 -0.644 0.000 1.096 486 F CA -1.167 56.495 58.000 -0.563 0.000 0.953 486 F CB 1.580 40.090 39.000 -0.816 0.000 1.345 486 F HN -0.107 nan 8.300 nan 0.000 0.468 487 V N 1.087 120.692 119.914 -0.514 0.000 2.495 487 V HA 0.489 4.610 4.120 0.001 0.000 0.298 487 V C -1.511 174.319 176.094 -0.440 0.000 1.031 487 V CA -1.108 60.937 62.300 -0.426 0.000 0.871 487 V CB 1.405 32.962 31.823 -0.442 0.000 0.988 487 V HN 0.580 nan 8.190 nan 0.000 0.432 488 Y N 2.318 122.606 120.300 -0.020 0.000 2.326 488 Y HA 0.769 5.319 4.550 0.001 0.000 0.331 488 Y C 0.327 176.270 175.900 0.072 0.000 0.962 488 Y CA -0.651 57.455 58.100 0.010 0.000 1.167 488 Y CB 2.037 40.499 38.460 0.004 0.000 1.148 488 Y HN 0.778 nan 8.280 nan 0.000 0.463 489 A N 2.373 125.336 122.820 0.240 0.000 2.318 489 A HA 0.802 5.123 4.320 0.001 0.000 0.317 489 A C 0.089 177.924 177.584 0.419 0.000 1.159 489 A CA -0.519 51.700 52.037 0.304 0.000 0.799 489 A CB 0.490 19.685 19.000 0.326 0.000 1.194 489 A HN 0.874 nan 8.150 nan 0.000 0.479 490 G N 0.946 109.961 108.800 0.359 0.000 2.371 490 G HA2 0.579 4.540 3.960 0.001 0.000 0.326 490 G HA3 0.579 4.540 3.960 0.001 0.000 0.326 490 G C 0.014 175.035 174.900 0.202 0.000 1.127 490 G CA 0.336 45.647 45.100 0.351 0.000 0.885 490 G HN 1.488 nan 8.290 nan 0.000 0.477 491 S N 0.238 115.974 115.700 0.061 0.000 2.806 491 S HA 0.356 4.827 4.470 0.001 0.000 0.306 491 S C 0.770 175.423 174.600 0.089 0.000 1.167 491 S CA -0.888 57.207 58.200 -0.175 0.000 0.847 491 S CB 1.404 64.044 63.200 -0.934 0.000 1.216 491 S HN 0.393 nan 8.310 nan 0.000 0.532 492 N N 1.230 119.975 118.700 0.074 0.000 2.381 492 N HA -0.069 4.672 4.740 0.001 0.000 0.182 492 N C 1.642 177.373 175.510 0.367 0.000 1.025 492 N CA 1.499 54.689 53.050 0.233 0.000 0.888 492 N CB -0.313 38.274 38.487 0.167 0.000 0.965 492 N HN 0.762 nan 8.380 nan 0.000 0.438 493 S N -0.901 114.913 115.700 0.189 0.000 2.503 493 S HA 0.363 4.834 4.470 0.001 0.000 0.217 493 S C 0.991 175.601 174.600 0.015 0.000 0.999 493 S CA 0.341 58.646 58.200 0.176 0.000 0.914 493 S CB 0.814 64.054 63.200 0.068 0.000 0.782 493 S HN 0.383 nan 8.310 nan 0.000 0.520 494 G N -0.117 108.621 108.800 -0.103 0.000 2.333 494 G HA2 0.409 4.370 3.960 0.001 0.000 0.288 494 G HA3 0.409 4.370 3.960 0.001 0.000 0.288 494 G C -1.924 172.949 174.900 -0.045 0.000 1.286 494 G CA -0.222 44.530 45.100 -0.580 0.000 0.865 494 G HN 0.477 nan 8.290 nan 0.000 0.506 495 V N -0.454 119.466 119.914 0.011 0.000 2.769 495 V HA 0.789 4.910 4.120 0.001 0.000 0.312 495 V C -0.223 175.915 176.094 0.073 0.000 1.061 495 V CA -0.743 61.682 62.300 0.209 0.000 0.931 495 V CB 1.685 33.632 31.823 0.206 0.000 1.010 495 V HN 0.761 nan 8.190 nan 0.000 0.433 496 V N 3.101 123.015 119.914 -0.000 0.000 2.680 496 V HA 0.510 4.630 4.120 0.001 0.000 0.309 496 V C -0.477 175.565 176.094 -0.087 0.000 1.052 496 V CA -0.574 61.624 62.300 -0.170 0.000 0.908 496 V CB 1.876 33.418 31.823 -0.469 0.000 1.001 496 V HN 0.943 nan 8.190 nan 0.000 0.431 497 Q N 2.621 122.323 119.800 -0.162 0.000 2.341 497 Q HA 0.757 5.098 4.340 0.001 0.000 0.268 497 Q C -0.890 174.955 176.000 -0.259 0.000 1.013 497 Q CA -0.471 55.168 55.803 -0.273 0.000 0.798 497 Q CB 1.709 30.252 28.738 -0.325 0.000 1.253 497 Q HN 0.945 nan 8.270 nan 0.000 0.457 498 A N 5.295 127.977 122.820 -0.230 0.000 2.374 498 A HA 0.835 5.156 4.320 0.001 0.000 0.317 498 A C -2.671 174.828 177.584 -0.141 0.000 1.094 498 A CA -1.594 50.359 52.037 -0.140 0.000 0.765 498 A CB 1.325 20.267 19.000 -0.098 0.000 1.268 498 A HN 0.639 nan 8.150 nan 0.000 0.438 499 P HA 0.269 nan 4.420 nan 0.000 0.277 499 P C 0.356 177.313 177.300 -0.571 0.000 1.276 499 P CA -0.332 62.487 63.100 -0.469 0.000 0.788 499 P CB 0.602 31.999 31.700 -0.505 0.000 1.114 500 L N -1.639 119.221 121.223 -0.605 0.000 2.509 500 L HA 0.334 4.675 4.340 0.001 0.000 0.222 500 L C 1.185 177.839 176.870 -0.359 0.000 1.123 500 L CA 0.479 55.044 54.840 -0.458 0.000 0.856 500 L CB -0.389 41.272 42.059 -0.664 0.000 0.985 500 L HN 0.390 nan 8.230 nan 0.000 0.456 501 A N -1.053 121.430 122.820 -0.561 0.000 2.610 501 A HA 0.700 5.021 4.320 0.001 0.000 0.291 501 A C -1.278 175.935 177.584 -0.618 0.000 1.086 501 A CA -0.402 51.400 52.037 -0.390 0.000 0.677 501 A CB 0.792 19.709 19.000 -0.140 0.000 1.278 501 A HN 0.031 nan 8.150 nan 0.000 0.414 502 F N 0.677 120.551 119.950 -0.128 0.000 2.841 502 F HA 0.218 4.746 4.527 0.001 0.000 0.358 502 F C 1.410 177.038 175.800 -0.286 0.000 1.261 502 F CA -0.636 57.182 58.000 -0.304 0.000 1.233 502 F CB 0.033 38.652 39.000 -0.635 0.000 1.008 502 F HN 0.599 nan 8.300 nan 0.000 0.507 503 c N 0.399 119.015 118.600 0.026 0.000 2.393 503 c HA -0.296 4.275 4.570 0.001 0.000 0.275 503 c C 3.037 177.165 174.090 0.064 0.000 1.170 503 c CA 1.910 58.320 56.329 0.136 0.000 1.827 503 c CB -1.410 41.188 42.510 0.147 0.000 2.131 503 c HN 0.805 nan 8.230 nan 0.000 0.474 504 G N -0.013 108.777 108.800 -0.018 0.000 2.448 504 G HA2 -0.177 3.784 3.960 0.001 0.000 0.219 504 G HA3 -0.177 3.784 3.960 0.001 0.000 0.219 504 G C 1.649 176.512 174.900 -0.062 0.000 1.127 504 G CA 0.576 45.662 45.100 -0.023 0.000 0.766 504 G HN 0.507 nan 8.290 nan 0.000 0.552 505 K N 0.561 120.832 120.400 -0.215 0.000 2.209 505 K HA -0.043 4.278 4.320 0.001 0.000 0.204 505 K C 0.212 176.791 176.600 -0.035 0.000 1.048 505 K CA 0.215 56.360 56.287 -0.236 0.000 0.940 505 K CB -0.326 31.811 32.500 -0.606 0.000 0.729 505 K HN 0.552 nan 8.250 nan 0.000 0.451 506 H N -0.803 118.377 119.070 0.184 0.000 2.899 506 H HA 0.088 4.644 4.556 0.001 0.000 0.303 506 H C 1.468 176.916 175.328 0.200 0.000 1.042 506 H CA -0.170 55.999 56.048 0.201 0.000 1.479 506 H CB 1.146 31.036 29.762 0.214 0.000 1.493 506 H HN 0.158 nan 8.280 nan 0.000 0.534 507 G N 2.729 111.684 108.800 0.258 0.000 2.408 507 G HA2 -0.120 3.841 3.960 0.001 0.000 0.213 507 G HA3 -0.120 3.841 3.960 0.001 0.000 0.213 507 G C 0.672 175.667 174.900 0.158 0.000 1.177 507 G CA 0.682 45.897 45.100 0.193 0.000 0.802 507 G HN 0.642 nan 8.290 nan 0.000 0.533 508 T N -3.505 111.025 114.554 -0.040 0.000 2.937 508 T HA 0.286 4.637 4.350 0.001 0.000 0.283 508 T C 1.302 175.530 174.700 -0.786 0.000 1.012 508 T CA -0.065 61.810 62.100 -0.375 0.000 0.997 508 T CB 1.274 69.986 68.868 -0.260 0.000 1.136 508 T HN 0.092 nan 8.240 nan 0.000 0.551 509 c N 0.727 118.507 118.600 -1.366 0.000 2.446 509 c HA -0.014 4.557 4.570 0.001 0.000 0.277 509 c C 2.479 176.242 174.090 -0.545 0.000 1.275 509 c CA 1.348 56.842 56.329 -1.392 0.000 1.727 509 c CB -1.626 40.001 42.510 -1.471 0.000 2.010 509 c HN 1.041 nan 8.230 nan 0.000 0.486 510 E N 1.229 121.183 120.200 -0.409 0.000 2.049 510 E HA -0.185 4.166 4.350 0.001 0.000 0.198 510 E C 1.847 178.330 176.600 -0.194 0.000 1.007 510 E CA 1.980 58.237 56.400 -0.239 0.000 0.809 510 E CB -0.504 29.083 29.700 -0.189 0.000 0.749 510 E HN 0.605 nan 8.360 nan 0.000 0.450 511 D N -0.328 119.965 120.400 -0.178 0.000 2.123 511 D HA -0.175 4.466 4.640 0.001 0.000 0.196 511 D C 2.012 178.192 176.300 -0.199 0.000 0.992 511 D CA 1.006 54.938 54.000 -0.114 0.000 0.833 511 D CB -0.508 40.286 40.800 -0.009 0.000 0.954 511 D HN 0.239 nan 8.370 nan 0.000 0.455 512 c N 0.081 118.587 118.600 -0.156 0.000 2.462 512 c HA -0.097 4.474 4.570 0.001 0.000 0.278 512 c C 2.849 176.839 174.090 -0.167 0.000 1.253 512 c CA 0.541 56.786 56.329 -0.140 0.000 1.713 512 c CB -0.915 41.722 42.510 0.213 0.000 2.049 512 c HN 0.114 nan 8.230 nan 0.000 0.477 513 V N 1.064 120.908 119.914 -0.117 0.000 2.261 513 V HA -0.199 3.922 4.120 0.001 0.000 0.246 513 V C 2.446 178.466 176.094 -0.123 0.000 1.047 513 V CA 2.262 64.504 62.300 -0.096 0.000 1.015 513 V CB -0.745 31.026 31.823 -0.086 0.000 0.642 513 V HN 0.598 nan 8.190 nan 0.000 0.446 514 L N 0.195 121.335 121.223 -0.139 0.000 2.263 514 L HA -0.210 4.130 4.340 0.001 0.000 0.216 514 L C 2.600 179.403 176.870 -0.112 0.000 1.111 514 L CA 1.326 56.089 54.840 -0.128 0.000 0.773 514 L CB -0.699 41.290 42.059 -0.117 0.000 0.906 514 L HN 0.379 nan 8.230 nan 0.000 0.439 515 A N -0.189 122.547 122.820 -0.140 0.000 1.933 515 A HA -0.182 4.139 4.320 0.001 0.000 0.218 515 A C 1.319 178.955 177.584 0.086 0.000 1.175 515 A CA 0.842 52.843 52.037 -0.060 0.000 0.628 515 A CB -0.279 18.575 19.000 -0.244 0.000 0.814 515 A HN 0.476 nan 8.150 nan 0.000 0.444 516 R N -0.451 120.032 120.500 -0.029 0.000 3.205 516 R HA -0.152 4.189 4.340 0.001 0.000 0.249 516 R C -1.105 175.193 176.300 -0.003 0.000 0.937 516 R CA 0.806 56.862 56.100 -0.073 0.000 0.641 516 R CB -1.760 28.368 30.300 -0.287 0.000 1.114 516 R HN 0.582 nan 8.270 nan 0.000 0.451 517 D N -0.212 120.165 120.400 -0.039 0.000 2.425 517 D HA 0.260 4.901 4.640 0.001 0.000 0.240 517 D C -1.729 174.494 176.300 -0.128 0.000 1.080 517 D CA -2.679 51.284 54.000 -0.062 0.000 0.836 517 D CB 1.582 42.439 40.800 0.095 0.000 1.125 517 D HN -0.118 nan 8.370 nan 0.000 0.525 518 P HA -0.083 nan 4.420 nan 0.000 0.225 518 P C 0.646 177.903 177.300 -0.071 0.000 1.148 518 P CA 0.818 63.779 63.100 -0.231 0.000 0.779 518 P CB 0.081 31.596 31.700 -0.310 0.000 0.780 519 Y N -1.324 118.987 120.300 0.018 0.000 2.395 519 Y HA -0.005 4.546 4.550 0.001 0.000 0.293 519 Y C 1.318 177.236 175.900 0.031 0.000 1.123 519 Y CA -0.535 57.586 58.100 0.036 0.000 1.227 519 Y CB -1.072 37.402 38.460 0.023 0.000 1.012 519 Y HN -0.075 nan 8.280 nan 0.000 0.552 520 c N 0.908 119.622 118.600 0.190 0.000 2.319 520 c HA 0.871 5.441 4.570 0.001 0.000 0.335 520 c C 0.532 174.686 174.090 0.106 0.000 1.274 520 c CA -1.200 55.225 56.329 0.160 0.000 1.806 520 c CB -0.131 42.519 42.510 0.234 0.000 2.329 520 c HN 0.357 nan 8.230 nan 0.000 0.524 521 A N 3.172 126.054 122.820 0.102 0.000 2.435 521 A HA 0.773 5.094 4.320 0.001 0.000 0.304 521 A C -1.170 176.504 177.584 0.151 0.000 1.064 521 A CA -0.386 51.709 52.037 0.097 0.000 0.727 521 A CB 1.095 20.115 19.000 0.033 0.000 1.284 521 A HN 0.979 nan 8.150 nan 0.000 0.415 522 W N 2.543 123.844 121.300 0.000 0.000 2.351 522 W HA 0.512 5.173 4.660 0.001 0.000 0.311 522 W C -0.504 176.015 176.519 -0.000 0.000 1.168 522 W CA -0.097 57.251 57.345 0.005 0.000 1.200 522 W CB 1.705 31.164 29.460 -0.001 0.000 1.221 522 W HN 0.652 nan 8.180 nan 0.000 0.519 523 S N 8.066 123.311 115.700 -0.759 0.000 2.434 523 S HA 0.302 4.773 4.470 0.001 0.000 0.318 523 S C -1.505 172.654 174.600 -0.735 0.000 1.062 523 S CA -1.642 56.219 58.200 -0.565 0.000 1.116 523 S CB 1.335 64.302 63.200 -0.388 0.000 0.977 523 S HN 0.334 nan 8.310 nan 0.000 0.480 524 P HA -0.048 nan 4.420 nan 0.000 0.215 524 P C -1.338 175.910 177.300 -0.087 0.000 1.157 524 P CA 1.121 64.197 63.100 -0.039 0.000 0.868 524 P CB -0.868 30.903 31.700 0.119 0.000 0.788 525 P HA -0.167 nan 4.420 nan 0.000 0.215 525 P C 1.359 178.595 177.300 -0.108 0.000 1.157 525 P CA 2.195 65.249 63.100 -0.077 0.000 0.874 525 P CB -1.018 30.640 31.700 -0.069 0.000 0.790 526 T N -3.961 110.486 114.554 -0.180 0.000 3.100 526 T HA 0.427 4.778 4.350 0.001 0.000 0.253 526 T C 1.218 175.780 174.700 -0.230 0.000 1.118 526 T CA 0.436 62.425 62.100 -0.185 0.000 1.058 526 T CB -0.815 67.946 68.868 -0.177 0.000 0.953 526 T HN 0.248 nan 8.240 nan 0.000 0.515 527 A N 1.024 123.653 122.820 -0.318 0.000 2.799 527 A HA -0.099 4.221 4.320 0.001 0.000 0.287 527 A C 0.712 177.992 177.584 -0.506 0.000 1.484 527 A CA 1.061 52.929 52.037 -0.283 0.000 0.813 527 A CB -2.648 16.358 19.000 0.010 0.000 1.009 527 A HN 1.357 nan 8.150 nan 0.000 0.545 528 T N -3.473 110.564 114.554 -0.862 0.000 2.909 528 T HA 0.530 4.881 4.350 0.001 0.000 0.299 528 T C -0.210 174.086 174.700 -0.673 0.000 1.073 528 T CA -0.167 61.593 62.100 -0.566 0.000 0.999 528 T CB 1.480 70.201 68.868 -0.245 0.000 1.098 528 T HN 1.522 nan 8.240 nan 0.000 0.477 529 c N 4.690 123.225 118.600 -0.108 0.000 2.442 529 c HA 0.681 5.252 4.570 0.001 0.000 0.362 529 c C 0.721 174.846 174.090 0.059 0.000 1.242 529 c CA -0.181 56.249 56.329 0.168 0.000 1.741 529 c CB -2.086 40.722 42.510 0.497 0.000 2.378 529 c HN 0.854 nan 8.230 nan 0.000 0.549 530 V N 4.515 124.426 119.914 -0.006 0.000 2.966 530 V HA 0.876 4.996 4.120 0.001 0.000 0.317 530 V C 0.395 176.500 176.094 0.018 0.000 1.070 530 V CA -0.494 61.790 62.300 -0.028 0.000 1.008 530 V CB 1.414 33.185 31.823 -0.087 0.000 1.070 530 V HN 1.085 nan 8.190 nan 0.000 0.457 531 A N 3.542 126.357 122.820 -0.008 0.000 2.478 531 A HA 0.617 4.938 4.320 0.001 0.000 0.327 531 A C -0.282 177.300 177.584 -0.002 0.000 1.431 531 A CA -0.433 51.606 52.037 0.004 0.000 1.014 531 A CB -0.274 18.694 19.000 -0.053 0.000 1.143 531 A HN 1.346 nan 8.150 nan 0.000 0.532 532 L N 3.554 124.782 121.223 0.008 0.000 2.540 532 L HA 0.137 4.477 4.340 0.001 0.000 0.276 532 L C 0.511 177.371 176.870 -0.018 0.000 1.212 532 L CA 1.199 55.996 54.840 -0.072 0.000 0.893 532 L CB -0.585 41.417 42.059 -0.094 0.000 1.138 532 L HN 0.833 nan 8.230 nan 0.000 0.491 533 H N 3.813 122.895 119.070 0.021 0.000 2.973 533 H HA -0.146 4.411 4.556 0.001 0.000 0.285 533 H C 0.419 175.731 175.328 -0.026 0.000 1.277 533 H CA 1.064 57.118 56.048 0.011 0.000 1.137 533 H CB -1.327 28.460 29.762 0.043 0.000 1.326 533 H HN 0.923 nan 8.280 nan 0.000 0.398 534 Q N -1.306 118.519 119.800 0.042 0.000 2.237 534 Q HA 0.009 4.350 4.340 0.001 0.000 0.164 534 Q C 0.576 176.558 176.000 -0.030 0.000 0.658 534 Q CA 0.675 56.467 55.803 -0.018 0.000 0.895 534 Q CB 0.739 29.437 28.738 -0.067 0.000 1.175 534 Q HN 0.233 nan 8.270 nan 0.000 0.355 535 T N 1.280 115.810 114.554 -0.039 0.000 2.856 535 T HA 0.043 4.394 4.350 0.001 0.000 0.306 535 T C -0.066 174.610 174.700 -0.040 0.000 1.062 535 T CA 0.319 62.391 62.100 -0.047 0.000 1.083 535 T CB 0.569 69.402 68.868 -0.060 0.000 0.984 535 T HN 0.185 nan 8.240 nan 0.000 0.542 536 E N 2.673 122.848 120.200 -0.042 0.000 2.464 536 E HA 0.238 4.589 4.350 0.001 0.000 0.260 536 E C -0.497 176.076 176.600 -0.044 0.000 1.318 536 E CA -0.244 56.134 56.400 -0.036 0.000 1.571 536 E CB 0.434 30.116 29.700 -0.029 0.000 1.525 536 E HN 0.365 nan 8.360 nan 0.000 0.449 537 S N 2.031 117.699 115.700 -0.053 0.000 2.638 537 S HA 0.482 4.953 4.470 0.001 0.000 0.298 537 S C -2.249 172.320 174.600 -0.051 0.000 1.111 537 S CA -1.285 56.878 58.200 -0.062 0.000 1.027 537 S CB 1.300 64.449 63.200 -0.085 0.000 1.064 537 S HN 0.210 nan 8.310 nan 0.000 0.525 538 P HA 0.239 nan 4.420 nan 0.000 0.281 538 P C 0.698 177.976 177.300 -0.036 0.000 1.286 538 P CA -0.232 62.846 63.100 -0.035 0.000 0.772 538 P CB 1.176 32.859 31.700 -0.028 0.000 0.862 539 S N 4.782 120.460 115.700 -0.035 0.000 2.368 539 S HA -0.270 4.201 4.470 0.001 0.000 0.226 539 S C 1.750 176.335 174.600 -0.024 0.000 1.044 539 S CA 1.129 59.306 58.200 -0.039 0.000 1.062 539 S CB -0.407 62.772 63.200 -0.036 0.000 0.931 539 S HN 0.340 nan 8.310 nan 0.000 0.440 540 R N 1.180 121.672 120.500 -0.014 0.000 2.152 540 R HA 0.023 4.364 4.340 0.001 0.000 0.232 540 R C 1.722 178.021 176.300 -0.002 0.000 1.117 540 R CA 1.116 57.213 56.100 -0.006 0.000 0.981 540 R CB -1.461 28.837 30.300 -0.003 0.000 0.870 540 R HN 0.550 nan 8.270 nan 0.000 0.451 541 G N 0.940 109.736 108.800 -0.007 0.000 4.699 541 G HA2 0.492 4.453 3.960 0.001 0.000 0.308 541 G HA3 0.492 4.453 3.960 0.001 0.000 0.308 541 G C -0.489 174.409 174.900 -0.004 0.000 1.399 541 G CA -0.339 44.761 45.100 -0.002 0.000 1.221 541 G HN -0.020 nan 8.290 nan 0.000 0.596 542 L N 0.209 121.436 121.223 0.007 0.000 2.409 542 L HA 0.589 4.930 4.340 0.001 0.000 0.262 542 L C -0.761 176.141 176.870 0.053 0.000 0.992 542 L CA -1.021 53.828 54.840 0.016 0.000 0.817 542 L CB 2.995 45.045 42.059 -0.014 0.000 1.350 542 L HN 0.063 nan 8.230 nan 0.000 0.411 543 I N 2.253 122.887 120.570 0.107 0.000 2.378 543 I HA 0.488 4.659 4.170 0.001 0.000 0.291 543 I C -0.572 175.605 176.117 0.100 0.000 0.992 543 I CA -0.227 61.144 61.300 0.119 0.000 1.154 543 I CB 1.680 39.785 38.000 0.176 0.000 1.315 543 I HN 0.538 nan 8.210 nan 0.000 0.448 544 Q N 5.544 125.375 119.800 0.052 0.000 2.327 544 Q HA 0.347 4.688 4.340 0.001 0.000 0.265 544 Q C -1.791 174.215 176.000 0.010 0.000 0.993 544 Q CA -0.617 55.204 55.803 0.029 0.000 0.885 544 Q CB 2.365 31.118 28.738 0.025 0.000 1.379 544 Q HN 0.507 nan 8.270 nan 0.000 0.408 545 E N 4.955 125.149 120.200 -0.011 0.000 2.343 545 E HA 0.194 4.544 4.350 0.001 0.000 0.260 545 E C 0.189 176.760 176.600 -0.047 0.000 0.908 545 E CA -0.339 56.049 56.400 -0.020 0.000 0.814 545 E CB 1.463 31.148 29.700 -0.025 0.000 1.302 545 E HN 0.768 nan 8.360 nan 0.000 0.408 546 M N 0.620 120.196 119.600 -0.039 0.000 2.630 546 M HA -0.076 4.405 4.480 0.001 0.000 0.254 546 M C 1.753 177.999 176.300 -0.089 0.000 1.092 546 M CA 0.783 56.033 55.300 -0.083 0.000 1.087 546 M CB -0.955 31.614 32.600 -0.051 0.000 1.453 546 M HN 0.256 nan 8.290 nan 0.000 0.509 547 S N -0.401 115.264 115.700 -0.058 0.000 2.428 547 S HA 0.106 4.577 4.470 0.001 0.000 0.230 547 S C 1.731 176.275 174.600 -0.092 0.000 1.014 547 S CA 0.971 59.134 58.200 -0.060 0.000 0.957 547 S CB -0.452 62.727 63.200 -0.036 0.000 0.784 547 S HN 0.612 nan 8.310 nan 0.000 0.499 548 G N 1.005 109.746 108.800 -0.099 0.000 2.157 548 G HA2 -0.194 3.767 3.960 0.001 0.000 0.239 548 G HA3 -0.194 3.767 3.960 0.001 0.000 0.239 548 G C -0.339 174.507 174.900 -0.091 0.000 0.982 548 G CA 0.077 45.108 45.100 -0.114 0.000 0.650 548 G HN 0.534 nan 8.290 nan 0.000 0.527 549 D N 1.408 121.767 120.400 -0.069 0.000 2.398 549 D HA 0.425 5.066 4.640 0.001 0.000 0.250 549 D C 1.486 177.750 176.300 -0.060 0.000 1.287 549 D CA 0.661 54.627 54.000 -0.057 0.000 0.992 549 D CB 0.759 41.534 40.800 -0.040 0.000 1.071 549 D HN 0.450 nan 8.370 nan 0.000 0.514 550 A N 2.177 124.953 122.820 -0.073 0.000 2.255 550 A HA -0.082 4.239 4.320 0.001 0.000 0.206 550 A C 2.006 179.544 177.584 -0.077 0.000 1.193 550 A CA 0.276 52.260 52.037 -0.089 0.000 0.794 550 A CB -0.138 18.798 19.000 -0.107 0.000 0.794 550 A HN 0.472 nan 8.150 nan 0.000 0.481 551 S N 0.081 115.749 115.700 -0.053 0.000 2.447 551 S HA -0.129 4.342 4.470 0.001 0.000 0.233 551 S C 1.595 176.174 174.600 -0.034 0.000 1.006 551 S CA 1.149 59.326 58.200 -0.039 0.000 0.957 551 S CB -1.162 62.023 63.200 -0.026 0.000 0.773 551 S HN 0.928 nan 8.310 nan 0.000 0.507 552 V N -0.906 118.988 119.914 -0.034 0.000 3.078 552 V HA 0.099 4.220 4.120 0.001 0.000 0.265 552 V C 1.087 177.168 176.094 -0.021 0.000 1.122 552 V CA -0.517 61.772 62.300 -0.019 0.000 1.141 552 V CB -2.105 29.712 31.823 -0.010 0.000 0.735 552 V HN 0.561 nan 8.190 nan 0.000 0.498 553 c N 1.644 120.210 118.600 -0.056 0.000 2.466 553 c HA 0.443 5.014 4.570 0.001 0.000 0.379 553 c C 0.161 174.214 174.090 -0.061 0.000 1.251 553 c CA -0.472 55.804 56.329 -0.089 0.000 2.263 553 c CB 0.784 43.180 42.510 -0.191 0.000 2.511 553 c HN 0.372 nan 8.230 nan 0.000 0.573 554 P HA -0.035 nan 4.420 nan 0.000 0.216 554 P C 0.011 177.292 177.300 -0.031 0.000 1.153 554 P CA 1.568 64.658 63.100 -0.017 0.000 0.848 554 P CB 0.202 31.914 31.700 0.020 0.000 0.787 562 R N 3.375 123.874 120.500 -0.001 0.000 2.402 562 R HA 0.105 4.446 4.340 0.001 0.000 0.331 562 R C 0.028 176.210 176.300 -0.196 0.000 1.040 562 R CA -0.107 55.959 56.100 -0.057 0.000 0.980 562 R CB 0.542 30.870 30.300 0.046 0.000 0.967 562 R HN 0.682 nan 8.270 nan 0.000 0.440 563 Q N 3.182 122.799 119.800 -0.304 0.000 2.261 563 Q HA 0.245 4.586 4.340 0.001 0.000 0.252 563 Q C -0.710 174.736 176.000 -0.924 0.000 0.915 563 Q CA -0.306 55.206 55.803 -0.486 0.000 0.915 563 Q CB 1.572 30.123 28.738 -0.312 0.000 1.204 563 Q HN 0.473 nan 8.270 nan 0.000 0.421 564 H N 2.187 120.826 119.070 -0.717 0.000 2.690 564 H HA 0.457 5.014 4.556 0.001 0.000 0.368 564 H C -1.255 173.314 175.328 -1.265 0.000 1.150 564 H CA -0.935 54.570 56.048 -0.906 0.000 1.174 564 H CB 1.337 30.689 29.762 -0.684 0.000 1.684 564 H HN 0.659 nan 8.280 nan 0.000 0.538 565 F N 2.162 121.810 119.950 -0.504 0.000 2.810 565 F HA 0.298 4.826 4.527 0.001 0.000 0.373 565 F C -0.877 174.705 175.800 -0.363 0.000 1.174 565 F CA -0.612 57.207 58.000 -0.301 0.000 1.141 565 F CB 0.460 39.371 39.000 -0.149 0.000 1.420 565 F HN 0.230 nan 8.300 nan 0.000 0.518 566 F N 1.219 121.247 119.950 0.129 0.000 2.483 566 F HA 0.549 5.077 4.527 0.001 0.000 0.329 566 F C 0.665 176.503 175.800 0.064 0.000 1.064 566 F CA -1.461 56.574 58.000 0.058 0.000 0.986 566 F CB 1.212 40.189 39.000 -0.039 0.000 1.218 566 F HN 0.133 nan 8.300 nan 0.000 0.484 567 K N 0.592 121.149 120.400 0.261 0.000 2.319 567 K HA 0.044 4.365 4.320 0.001 0.000 0.265 567 K C 0.082 176.769 176.600 0.145 0.000 1.000 567 K CA -0.470 55.919 56.287 0.171 0.000 0.943 567 K CB 0.358 32.934 32.500 0.126 0.000 0.950 567 K HN 0.641 nan 8.250 nan 0.000 0.485 568 H N 0.260 119.368 119.070 0.063 0.000 2.871 568 H HA -0.055 4.502 4.556 0.001 0.000 0.355 568 H C 1.182 176.521 175.328 0.018 0.000 1.092 568 H CA 2.048 58.120 56.048 0.040 0.000 1.420 568 H CB 0.706 30.489 29.762 0.036 0.000 1.400 568 H HN 0.881 nan 8.280 nan 0.000 0.604 569 G N 3.010 111.474 108.800 -0.560 0.000 2.328 569 G HA2 -0.302 3.658 3.960 0.001 0.000 0.256 569 G HA3 -0.302 3.658 3.960 0.001 0.000 0.256 569 G C 0.817 175.611 174.900 -0.177 0.000 1.014 569 G CA 0.701 45.610 45.100 -0.318 0.000 0.620 569 G HN 1.011 nan 8.290 nan 0.000 0.530 570 G N -0.819 107.899 108.800 -0.136 0.000 2.712 570 G HA2 0.468 4.429 3.960 0.001 0.000 0.258 570 G HA3 0.468 4.429 3.960 0.001 0.000 0.258 570 G C 0.044 174.802 174.900 -0.237 0.000 1.241 570 G CA 1.063 46.076 45.100 -0.144 0.000 0.923 570 G HN 0.892 nan 8.290 nan 0.000 0.548 571 T N -0.895 113.461 114.554 -0.330 0.000 2.841 571 T HA 0.605 4.956 4.350 0.001 0.000 0.283 571 T C -0.191 174.075 174.700 -0.723 0.000 1.000 571 T CA 0.010 61.826 62.100 -0.474 0.000 0.977 571 T CB 1.059 69.678 68.868 -0.414 0.000 0.979 571 T HN 0.952 nan 8.240 nan 0.000 0.446 572 A N 3.532 125.879 122.820 -0.789 0.000 2.318 572 A HA 0.674 4.994 4.320 0.001 0.000 0.324 572 A C -0.304 176.821 177.584 -0.766 0.000 1.170 572 A CA -0.667 50.793 52.037 -0.963 0.000 0.810 572 A CB 0.909 19.451 19.000 -0.763 0.000 1.198 572 A HN 0.797 nan 8.150 nan 0.000 0.484 573 E N 3.354 123.148 120.200 -0.678 0.000 2.114 573 E HA 0.462 4.812 4.350 0.001 0.000 0.266 573 E C -1.530 174.779 176.600 -0.486 0.000 0.896 573 E CA -0.349 55.749 56.400 -0.503 0.000 0.750 573 E CB 0.681 30.172 29.700 -0.348 0.000 1.121 573 E HN 0.667 nan 8.360 nan 0.000 0.413 574 L N 5.249 126.136 121.223 -0.559 0.000 2.272 574 L HA 0.378 4.718 4.340 0.001 0.000 0.284 574 L C 0.232 177.010 176.870 -0.154 0.000 1.045 574 L CA -0.623 53.858 54.840 -0.598 0.000 0.842 574 L CB 0.751 42.286 42.059 -0.874 0.000 1.224 574 L HN 0.291 nan 8.230 nan 0.000 0.430 575 K N 2.373 122.765 120.400 -0.013 0.000 2.412 575 K HA 0.268 4.589 4.320 0.001 0.000 0.281 575 K C -0.440 176.384 176.600 0.374 0.000 1.027 575 K CA 0.005 56.396 56.287 0.174 0.000 0.989 575 K CB 1.021 33.604 32.500 0.138 0.000 0.935 575 K HN 0.575 nan 8.250 nan 0.000 0.475 576 c N 2.290 121.074 118.600 0.307 0.000 2.752 576 c HA 0.614 5.185 4.570 0.001 0.000 0.360 576 c C -0.981 173.163 174.090 0.089 0.000 1.081 576 c CA -0.313 56.131 56.329 0.192 0.000 1.272 576 c CB 0.995 43.560 42.510 0.092 0.000 1.754 576 c HN 0.831 nan 8.230 nan 0.000 0.483 577 S N 3.127 118.847 115.700 0.034 0.000 2.556 577 S HA 0.885 5.356 4.470 0.001 0.000 0.271 577 S C -1.421 173.168 174.600 -0.017 0.000 1.135 577 S CA -0.319 57.888 58.200 0.012 0.000 0.858 577 S CB 1.875 65.095 63.200 0.033 0.000 1.114 577 S HN 1.122 nan 8.310 nan 0.000 0.468 578 Q N 1.630 121.414 119.800 -0.028 0.000 2.565 578 Q HA 0.599 4.940 4.340 0.001 0.000 0.294 578 Q C -0.504 175.467 176.000 -0.047 0.000 1.005 578 Q CA -0.853 54.928 55.803 -0.037 0.000 0.771 578 Q CB 0.749 29.450 28.738 -0.061 0.000 1.486 578 Q HN 0.349 nan 8.270 nan 0.000 0.422 579 K N -0.015 120.350 120.400 -0.059 0.000 2.356 579 K HA 0.179 4.500 4.320 0.001 0.000 0.195 579 K C 0.080 176.584 176.600 -0.160 0.000 1.037 579 K CA 0.245 56.453 56.287 -0.133 0.000 1.014 579 K CB 0.715 33.101 32.500 -0.190 0.000 0.815 579 K HN 0.616 nan 8.250 nan 0.000 0.507 580 S N 2.225 117.863 115.700 -0.103 0.000 2.465 580 S HA 0.068 4.539 4.470 0.001 0.000 0.280 580 S C 0.721 175.270 174.600 -0.085 0.000 1.232 580 S CA -0.465 57.678 58.200 -0.094 0.000 1.066 580 S CB 0.242 63.401 63.200 -0.067 0.000 0.929 580 S HN 0.129 nan 8.310 nan 0.000 0.494 581 N N 4.317 122.960 118.700 -0.095 0.000 2.550 581 N HA 0.068 4.809 4.740 0.001 0.000 0.186 581 N C 0.718 176.198 175.510 -0.049 0.000 1.110 581 N CA 0.629 53.635 53.050 -0.074 0.000 0.912 581 N CB -0.110 38.324 38.487 -0.088 0.000 0.968 581 N HN 0.595 nan 8.380 nan 0.000 0.448 582 L N -0.752 120.443 121.223 -0.047 0.000 2.728 582 L HA 0.428 4.769 4.340 0.001 0.000 0.238 582 L C 0.353 177.200 176.870 -0.039 0.000 1.143 582 L CA -0.292 54.527 54.840 -0.034 0.000 0.937 582 L CB 0.272 42.315 42.059 -0.025 0.000 1.225 582 L HN -0.043 nan 8.230 nan 0.000 0.507 583 A N 1.036 123.832 122.820 -0.041 0.000 2.380 583 A HA 0.859 5.179 4.320 0.001 0.000 0.315 583 A C -0.539 177.035 177.584 -0.016 0.000 1.101 583 A CA -0.617 51.397 52.037 -0.039 0.000 0.771 583 A CB 1.131 20.099 19.000 -0.054 0.000 1.287 583 A HN 0.313 nan 8.150 nan 0.000 0.436 584 R N -0.126 120.380 120.500 0.011 0.000 2.686 584 R HA 0.740 5.081 4.340 0.001 0.000 0.286 584 R C -0.925 175.421 176.300 0.078 0.000 0.969 584 R CA -0.714 55.415 56.100 0.049 0.000 0.898 584 R CB 1.593 31.936 30.300 0.072 0.000 1.183 584 R HN 0.848 nan 8.270 nan 0.000 0.456 585 V N 0.557 120.504 119.914 0.054 0.000 2.483 585 V HA 0.801 4.921 4.120 0.001 0.000 0.295 585 V C -0.687 175.459 176.094 0.086 0.000 1.035 585 V CA -0.774 61.506 62.300 -0.034 0.000 0.896 585 V CB 0.831 32.551 31.823 -0.171 0.000 0.986 585 V HN 0.776 nan 8.190 nan 0.000 0.447 586 F N 2.210 122.125 119.950 -0.059 0.000 2.577 586 F HA 0.920 5.448 4.527 0.001 0.000 0.318 586 F C -1.040 174.725 175.800 -0.058 0.000 1.065 586 F CA -1.736 56.278 58.000 0.023 0.000 0.929 586 F CB 1.124 40.166 39.000 0.071 0.000 1.237 586 F HN 0.575 nan 8.300 nan 0.000 0.468 587 W N 1.477 122.887 121.300 0.183 0.000 2.516 587 W HA 0.717 5.378 4.660 0.001 0.000 0.343 587 W C -0.672 175.950 176.519 0.173 0.000 1.094 587 W CA -0.615 56.795 57.345 0.108 0.000 1.250 587 W CB 1.859 31.379 29.460 0.099 0.000 1.308 587 W HN 0.350 nan 8.180 nan 0.000 0.588 588 K N 2.216 122.882 120.400 0.443 0.000 2.482 588 K HA 0.458 4.779 4.320 0.001 0.000 0.251 588 K C -1.808 174.995 176.600 0.338 0.000 0.936 588 K CA -0.909 55.563 56.287 0.309 0.000 0.791 588 K CB 2.125 34.734 32.500 0.182 0.000 1.213 588 K HN 0.260 nan 8.250 nan 0.000 0.428 589 F N 2.306 122.268 119.950 0.020 0.000 2.556 589 F HA 0.213 4.741 4.527 0.001 0.000 0.314 589 F C -0.262 175.462 175.800 -0.125 0.000 1.106 589 F CA -0.489 57.393 58.000 -0.196 0.000 0.911 589 F CB 1.583 40.369 39.000 -0.355 0.000 1.190 589 F HN 0.682 nan 8.300 nan 0.000 0.448 590 Q N 5.514 124.821 119.800 -0.822 0.000 2.435 590 Q HA -0.317 4.024 4.340 0.001 0.000 0.312 590 Q C 0.156 175.983 176.000 -0.289 0.000 1.333 590 Q CA 1.002 56.403 55.803 -0.670 0.000 0.883 590 Q CB -1.185 26.994 28.738 -0.932 0.000 1.170 590 Q HN 0.865 nan 8.270 nan 0.000 0.443 591 N N -3.883 114.723 118.700 -0.157 0.000 2.778 591 N HA -0.179 4.562 4.740 0.001 0.000 0.249 591 N C 0.179 175.664 175.510 -0.042 0.000 1.069 591 N CA 1.412 54.418 53.050 -0.073 0.000 0.831 591 N CB -1.073 37.370 38.487 -0.075 0.000 1.142 591 N HN 0.589 nan 8.380 nan 0.000 0.573 592 G N -0.250 108.530 108.800 -0.033 0.000 2.482 592 G HA2 0.557 4.517 3.960 0.001 0.000 0.317 592 G HA3 0.557 4.517 3.960 0.001 0.000 0.317 592 G C -0.116 174.825 174.900 0.069 0.000 1.241 592 G CA -0.424 44.678 45.100 0.005 0.000 0.967 592 G HN 0.050 nan 8.290 nan 0.000 0.482 593 V N 2.649 122.610 119.914 0.078 0.000 2.400 593 V HA 0.033 4.154 4.120 0.001 0.000 0.263 593 V C 0.630 176.789 176.094 0.108 0.000 1.026 593 V CA -0.227 62.155 62.300 0.136 0.000 1.077 593 V CB 0.243 32.101 31.823 0.059 0.000 1.054 593 V HN 0.586 nan 8.190 nan 0.000 0.477 594 L N 6.563 127.869 121.223 0.139 0.000 2.453 594 L HA 0.231 4.571 4.340 0.001 0.000 0.272 594 L C 0.527 177.408 176.870 0.018 0.000 1.182 594 L CA 0.626 55.482 54.840 0.028 0.000 0.858 594 L CB 0.367 42.423 42.059 -0.006 0.000 1.120 594 L HN 0.491 nan 8.230 nan 0.000 0.474 595 K N 4.553 124.932 120.400 -0.035 0.000 2.292 595 K HA 0.427 4.747 4.320 0.001 0.000 0.270 595 K C -0.243 176.366 176.600 0.015 0.000 1.062 595 K CA -0.408 55.892 56.287 0.021 0.000 0.916 595 K CB 1.094 33.622 32.500 0.047 0.000 1.166 595 K HN 0.746 nan 8.250 nan 0.000 0.458 596 A N 4.562 127.414 122.820 0.053 0.000 3.052 596 A HA 0.028 4.349 4.320 0.001 0.000 0.266 596 A C -0.395 177.279 177.584 0.151 0.000 1.855 596 A CA 0.268 52.370 52.037 0.109 0.000 1.473 596 A CB -0.412 18.651 19.000 0.105 0.000 1.038 596 A HN 0.714 nan 8.150 nan 0.000 0.619 597 E N 0.577 120.885 120.200 0.180 0.000 2.256 597 E HA 0.429 4.780 4.350 0.001 0.000 0.267 597 E C 0.024 176.694 176.600 0.116 0.000 0.892 597 E CA -0.620 55.855 56.400 0.126 0.000 0.775 597 E CB 1.630 31.386 29.700 0.094 0.000 1.207 597 E HN 0.554 nan 8.360 nan 0.000 0.420 598 S N 1.873 117.585 115.700 0.021 0.000 2.558 598 S HA 0.067 4.538 4.470 0.001 0.000 0.288 598 S C -1.432 173.141 174.600 -0.045 0.000 1.318 598 S CA -0.832 57.322 58.200 -0.076 0.000 1.056 598 S CB 0.472 63.598 63.200 -0.124 0.000 0.853 598 S HN 0.481 nan 8.310 nan 0.000 0.505 599 P HA 0.162 nan 4.420 nan 0.000 0.226 599 P C 1.113 178.300 177.300 -0.189 0.000 1.160 599 P CA 0.403 63.389 63.100 -0.190 0.000 0.837 599 P CB 0.141 31.749 31.700 -0.153 0.000 0.860 600 K N -0.701 119.627 120.400 -0.121 0.000 2.147 600 K HA -0.048 4.273 4.320 0.001 0.000 0.205 600 K C 0.304 176.705 176.600 -0.331 0.000 1.049 600 K CA 1.092 57.216 56.287 -0.271 0.000 0.936 600 K CB -0.235 32.007 32.500 -0.429 0.000 0.722 600 K HN 0.327 nan 8.250 nan 0.000 0.446 601 Y N -1.082 119.329 120.300 0.185 0.000 2.570 601 Y HA 0.551 5.102 4.550 0.001 0.000 0.345 601 Y C 0.503 176.584 175.900 0.300 0.000 1.014 601 Y CA -1.024 57.197 58.100 0.202 0.000 1.063 601 Y CB 2.429 40.926 38.460 0.061 0.000 1.272 601 Y HN -0.066 nan 8.280 nan 0.000 0.477 602 G N 1.024 110.099 108.800 0.458 0.000 2.720 602 G HA2 0.594 4.555 3.960 0.001 0.000 0.295 602 G HA3 0.594 4.555 3.960 0.001 0.000 0.295 602 G C -2.398 172.576 174.900 0.123 0.000 1.437 602 G CA -0.792 44.522 45.100 0.356 0.000 0.886 602 G HN 0.548 nan 8.290 nan 0.000 0.509 603 L N 2.131 123.416 121.223 0.104 0.000 2.305 603 L HA 0.549 4.889 4.340 0.001 0.000 0.284 603 L C -0.143 176.761 176.870 0.057 0.000 1.013 603 L CA -0.783 54.096 54.840 0.066 0.000 0.819 603 L CB 1.796 43.919 42.059 0.107 0.000 1.227 603 L HN 0.319 nan 8.230 nan 0.000 0.417 604 M N 3.383 122.997 119.600 0.024 0.000 2.101 604 M HA 0.295 4.776 4.480 0.001 0.000 0.340 604 M C 0.780 177.102 176.300 0.037 0.000 1.057 604 M CA 0.075 55.386 55.300 0.018 0.000 0.984 604 M CB 0.853 33.436 32.600 -0.027 0.000 1.560 604 M HN 0.825 nan 8.290 nan 0.000 0.435 605 G N 4.480 113.305 108.800 0.042 0.000 2.160 605 G HA2 -0.303 3.658 3.960 0.001 0.000 0.251 605 G HA3 -0.303 3.658 3.960 0.001 0.000 0.251 605 G C 0.640 175.577 174.900 0.062 0.000 1.008 605 G CA 0.545 45.672 45.100 0.046 0.000 0.724 605 G HN 0.886 nan 8.290 nan 0.000 0.514 606 R N -1.894 118.652 120.500 0.077 0.000 4.010 606 R HA -0.293 4.048 4.340 0.001 0.000 0.409 606 R C 1.904 178.285 176.300 0.136 0.000 1.120 606 R CA 2.390 58.548 56.100 0.097 0.000 1.244 606 R CB -1.549 28.794 30.300 0.072 0.000 1.799 606 R HN 0.827 nan 8.270 nan 0.000 0.559 607 K N -1.786 118.708 120.400 0.157 0.000 2.548 607 K HA 0.165 4.486 4.320 0.001 0.000 0.209 607 K C 0.076 176.904 176.600 0.380 0.000 1.420 607 K CA -0.391 56.023 56.287 0.211 0.000 0.985 607 K CB 0.391 32.959 32.500 0.114 0.000 1.249 607 K HN -0.114 nan 8.250 nan 0.000 0.557 608 N N 2.245 121.090 118.700 0.242 0.000 2.422 608 N HA 0.220 4.961 4.740 0.001 0.000 0.266 608 N C -1.222 174.259 175.510 -0.047 0.000 1.007 608 N CA -0.481 52.666 53.050 0.162 0.000 0.941 608 N CB 1.593 40.106 38.487 0.043 0.000 1.115 608 N HN 0.115 nan 8.380 nan 0.000 0.492 609 L N 2.462 123.451 121.223 -0.389 0.000 2.380 609 L HA 0.379 4.720 4.340 0.001 0.000 0.273 609 L C -0.957 175.545 176.870 -0.613 0.000 1.138 609 L CA -0.138 54.220 54.840 -0.803 0.000 0.832 609 L CB 0.396 41.316 42.059 -1.899 0.000 1.124 609 L HN 0.390 nan 8.230 nan 0.000 0.454 610 L N 6.294 127.229 121.223 -0.480 0.000 2.345 610 L HA 0.470 4.811 4.340 0.001 0.000 0.274 610 L C -0.798 175.688 176.870 -0.640 0.000 0.999 610 L CA 0.052 54.511 54.840 -0.635 0.000 0.849 610 L CB 1.290 42.924 42.059 -0.708 0.000 1.220 610 L HN 0.469 nan 8.230 nan 0.000 0.422 611 I N 3.253 123.424 120.570 -0.664 0.000 2.325 611 I HA 0.217 4.388 4.170 0.001 0.000 0.291 611 I C 0.537 176.269 176.117 -0.641 0.000 1.019 611 I CA 0.290 61.249 61.300 -0.568 0.000 1.302 611 I CB 0.542 38.235 38.000 -0.511 0.000 1.401 611 I HN 0.436 nan 8.210 nan 0.000 0.485 612 F N 2.515 122.240 119.950 -0.375 0.000 2.188 612 F HA 0.092 4.620 4.527 0.001 0.000 0.289 612 F C 1.313 176.953 175.800 -0.265 0.000 1.082 612 F CA 0.609 58.437 58.000 -0.288 0.000 1.282 612 F CB -0.020 38.840 39.000 -0.234 0.000 1.060 612 F HN 0.403 nan 8.300 nan 0.000 0.493 613 N N 0.795 119.437 118.700 -0.096 0.000 2.706 613 N HA 0.281 5.022 4.740 0.001 0.000 0.240 613 N C -1.231 174.155 175.510 -0.206 0.000 1.039 613 N CA -0.082 52.882 53.050 -0.143 0.000 0.888 613 N CB 0.279 38.703 38.487 -0.107 0.000 1.128 613 N HN -0.012 nan 8.380 nan 0.000 0.512 614 L N 1.919 122.995 121.223 -0.245 0.000 2.455 614 L HA 0.293 4.634 4.340 0.001 0.000 0.272 614 L C 0.347 177.015 176.870 -0.336 0.000 1.174 614 L CA 0.031 54.735 54.840 -0.227 0.000 0.869 614 L CB 0.327 42.290 42.059 -0.161 0.000 1.130 614 L HN 0.573 nan 8.230 nan 0.000 0.474 615 S N -0.160 115.463 115.700 -0.128 0.000 2.570 615 S HA 0.294 4.765 4.470 0.001 0.000 0.270 615 S C 0.349 175.033 174.600 0.139 0.000 1.149 615 S CA -1.030 57.192 58.200 0.037 0.000 0.837 615 S CB 1.674 64.906 63.200 0.054 0.000 1.124 615 S HN 0.683 nan 8.310 nan 0.000 0.465 616 E N 1.428 121.746 120.200 0.196 0.000 2.246 616 E HA -0.297 4.053 4.350 0.001 0.000 0.232 616 E C 1.894 178.583 176.600 0.149 0.000 1.087 616 E CA 2.007 58.498 56.400 0.153 0.000 0.964 616 E CB -0.900 28.871 29.700 0.119 0.000 0.827 616 E HN 0.872 nan 8.360 nan 0.000 0.476 617 G N 0.508 109.396 108.800 0.147 0.000 2.509 617 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 617 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 617 G C 0.890 175.951 174.900 0.269 0.000 1.124 617 G CA 0.798 46.009 45.100 0.184 0.000 0.776 617 G HN 0.129 nan 8.290 nan 0.000 0.547 618 D N 0.372 120.886 120.400 0.189 0.000 2.317 618 D HA 0.059 4.700 4.640 0.001 0.000 0.211 618 D C 1.451 177.882 176.300 0.218 0.000 0.966 618 D CA 0.180 54.262 54.000 0.137 0.000 0.876 618 D CB 0.089 40.890 40.800 0.001 0.000 0.927 618 D HN 0.101 nan 8.370 nan 0.000 0.519 619 S N -0.311 115.548 115.700 0.265 0.000 2.566 619 S HA 0.426 4.897 4.470 0.001 0.000 0.280 619 S C 0.863 175.706 174.600 0.405 0.000 1.343 619 S CA 0.602 58.972 58.200 0.284 0.000 1.036 619 S CB 0.972 64.294 63.200 0.204 0.000 0.866 619 S HN 0.498 nan 8.310 nan 0.000 0.526 620 G N 0.357 109.369 108.800 0.352 0.000 2.318 620 G HA2 -0.044 3.917 3.960 0.001 0.000 0.367 620 G HA3 -0.044 3.917 3.960 0.001 0.000 0.367 620 G C -1.265 173.848 174.900 0.355 0.000 1.260 620 G CA -0.638 44.651 45.100 0.315 0.000 1.055 620 G HN 0.797 nan 8.290 nan 0.000 0.484 621 V N 0.977 121.040 119.914 0.248 0.000 2.406 621 V HA 0.548 4.669 4.120 0.001 0.000 0.272 621 V C -0.594 175.681 176.094 0.302 0.000 1.043 621 V CA -0.132 62.345 62.300 0.295 0.000 0.915 621 V CB 0.638 32.600 31.823 0.231 0.000 0.988 621 V HN 0.551 nan 8.190 nan 0.000 0.466 622 Y N 3.498 124.088 120.300 0.484 0.000 2.335 622 Y HA 0.557 5.108 4.550 0.001 0.000 0.338 622 Y C 0.314 176.544 175.900 0.550 0.000 0.977 622 Y CA -0.355 58.066 58.100 0.536 0.000 1.114 622 Y CB 1.691 40.397 38.460 0.410 0.000 1.182 622 Y HN 0.531 nan 8.280 nan 0.000 0.463 623 Q N 2.418 122.559 119.800 0.569 0.000 2.321 623 Q HA 0.439 4.780 4.340 0.001 0.000 0.270 623 Q C -1.472 174.456 176.000 -0.121 0.000 1.032 623 Q CA -0.660 55.260 55.803 0.193 0.000 0.784 623 Q CB 2.073 30.860 28.738 0.081 0.000 1.264 623 Q HN 0.817 nan 8.270 nan 0.000 0.448 624 c N 4.891 123.115 118.600 -0.626 0.000 2.307 624 c HA 0.714 5.285 4.570 0.001 0.000 0.340 624 c C -0.981 172.672 174.090 -0.728 0.000 1.275 624 c CA -0.349 55.258 56.329 -1.203 0.000 1.811 624 c CB -0.635 40.945 42.510 -1.550 0.000 2.372 624 c HN 0.756 nan 8.230 nan 0.000 0.531 625 L N 5.371 126.090 121.223 -0.840 0.000 2.354 625 L HA 0.643 4.984 4.340 0.001 0.000 0.269 625 L C 0.225 176.671 176.870 -0.706 0.000 1.005 625 L CA 0.256 54.634 54.840 -0.769 0.000 0.819 625 L CB 2.464 43.907 42.059 -1.026 0.000 1.311 625 L HN 0.797 nan 8.230 nan 0.000 0.423 626 S N 0.361 115.863 115.700 -0.331 0.000 2.537 626 S HA 0.842 5.312 4.470 0.001 0.000 0.301 626 S C -0.914 173.699 174.600 0.022 0.000 1.092 626 S CA -0.767 57.351 58.200 -0.138 0.000 1.048 626 S CB 1.672 64.799 63.200 -0.121 0.000 1.053 626 S HN 0.586 nan 8.310 nan 0.000 0.501 627 E N 0.694 120.922 120.200 0.048 0.000 2.241 627 E HA 0.581 4.932 4.350 0.001 0.000 0.263 627 E C -1.282 175.234 176.600 -0.140 0.000 0.882 627 E CA -0.740 55.592 56.400 -0.115 0.000 0.769 627 E CB 1.681 31.287 29.700 -0.156 0.000 1.185 627 E HN 0.732 nan 8.360 nan 0.000 0.415 628 E N 3.067 123.146 120.200 -0.201 0.000 2.275 628 E HA 0.365 4.716 4.350 0.001 0.000 0.270 628 E C -1.171 175.330 176.600 -0.165 0.000 0.882 628 E CA -1.058 55.255 56.400 -0.144 0.000 0.758 628 E CB 1.334 30.970 29.700 -0.106 0.000 1.195 628 E HN 0.406 nan 8.360 nan 0.000 0.419 629 R N 2.004 122.429 120.500 -0.126 0.000 2.357 629 R HA 0.181 4.522 4.340 0.001 0.000 0.296 629 R C 0.920 177.163 176.300 -0.094 0.000 1.052 629 R CA -0.034 55.999 56.100 -0.112 0.000 0.988 629 R CB 1.180 31.430 30.300 -0.084 0.000 1.025 629 R HN 0.484 nan 8.270 nan 0.000 0.469 630 V N -0.458 119.399 119.914 -0.095 0.000 2.721 630 V HA 0.258 4.379 4.120 0.001 0.000 0.236 630 V C 0.912 176.958 176.094 -0.080 0.000 1.116 630 V CA 0.514 62.755 62.300 -0.097 0.000 1.148 630 V CB -0.046 31.712 31.823 -0.109 0.000 0.886 630 V HN 0.434 nan 8.190 nan 0.000 0.490 631 K N 0.372 120.732 120.400 -0.065 0.000 3.334 631 K HA 0.381 4.702 4.320 0.001 0.000 0.249 631 K C 1.687 178.264 176.600 -0.038 0.000 1.231 631 K CA 0.607 56.866 56.287 -0.047 0.000 1.266 631 K CB -0.514 31.962 32.500 -0.041 0.000 2.012 631 K HN 0.344 nan 8.250 nan 0.000 0.440 632 N N 1.713 120.392 118.700 -0.035 0.000 2.508 632 N HA -0.025 4.716 4.740 0.001 0.000 0.186 632 N C 0.417 175.903 175.510 -0.040 0.000 1.034 632 N CA 0.375 53.407 53.050 -0.030 0.000 0.885 632 N CB -0.075 38.400 38.487 -0.020 0.000 1.135 632 N HN 0.261 nan 8.380 nan 0.000 0.435 633 K N 1.360 121.735 120.400 -0.042 0.000 2.440 633 K HA 0.121 4.442 4.320 0.001 0.000 0.270 633 K C -0.420 176.125 176.600 -0.092 0.000 0.980 633 K CA 0.408 56.665 56.287 -0.050 0.000 0.953 633 K CB 0.274 32.752 32.500 -0.037 0.000 0.925 633 K HN -0.207 nan 8.250 nan 0.000 0.497 634 T N 1.692 116.170 114.554 -0.127 0.000 2.867 634 T HA 0.306 4.657 4.350 0.001 0.000 0.282 634 T C -0.846 173.681 174.700 -0.289 0.000 1.000 634 T CA -0.809 61.127 62.100 -0.274 0.000 1.042 634 T CB 1.407 70.031 68.868 -0.406 0.000 0.973 634 T HN 0.401 nan 8.240 nan 0.000 0.465 635 V N 4.407 124.124 119.914 -0.327 0.000 2.304 635 V HA 0.406 4.526 4.120 0.001 0.000 0.278 635 V C -0.837 175.121 176.094 -0.226 0.000 1.018 635 V CA -0.788 61.393 62.300 -0.199 0.000 0.814 635 V CB -0.006 31.742 31.823 -0.125 0.000 1.021 635 V HN 0.754 nan 8.190 nan 0.000 0.440 636 F N 3.036 122.985 119.950 -0.002 0.000 2.396 636 F HA 0.573 5.100 4.527 0.001 0.000 0.343 636 F C 0.681 176.447 175.800 -0.056 0.000 1.104 636 F CA -0.056 57.946 58.000 0.004 0.000 1.161 636 F CB 0.947 39.982 39.000 0.058 0.000 1.146 636 F HN 0.353 nan 8.300 nan 0.000 0.522 637 Q N 1.522 121.364 119.800 0.068 0.000 2.389 637 Q HA 0.476 4.817 4.340 0.001 0.000 0.277 637 Q C -1.420 174.518 176.000 -0.104 0.000 1.082 637 Q CA -1.048 54.734 55.803 -0.035 0.000 0.810 637 Q CB 3.331 32.026 28.738 -0.073 0.000 1.374 637 Q HN 0.375 nan 8.270 nan 0.000 0.422 638 V N 2.999 122.837 119.914 -0.127 0.000 2.389 638 V HA 0.063 4.184 4.120 0.001 0.000 0.264 638 V C 1.023 176.996 176.094 -0.201 0.000 1.049 638 V CA 0.074 62.262 62.300 -0.187 0.000 0.932 638 V CB 0.846 32.566 31.823 -0.172 0.000 1.011 638 V HN 0.709 nan 8.190 nan 0.000 0.475 639 V N 4.021 123.787 119.914 -0.246 0.000 2.256 639 V HA 0.154 4.275 4.120 0.001 0.000 0.240 639 V C 1.102 177.067 176.094 -0.215 0.000 1.036 639 V CA 1.663 63.834 62.300 -0.215 0.000 1.008 639 V CB -0.186 31.497 31.823 -0.234 0.000 0.648 639 V HN 0.875 nan 8.190 nan 0.000 0.453 640 A N -0.253 122.402 122.820 -0.274 0.000 2.374 640 A HA 0.715 5.036 4.320 0.001 0.000 0.317 640 A C -0.578 176.817 177.584 -0.315 0.000 1.094 640 A CA -0.627 51.242 52.037 -0.281 0.000 0.765 640 A CB 1.261 20.174 19.000 -0.146 0.000 1.268 640 A HN 0.346 nan 8.150 nan 0.000 0.438 641 K N 1.936 122.082 120.400 -0.423 0.000 2.376 641 K HA 0.532 4.853 4.320 0.001 0.000 0.257 641 K C -1.506 174.922 176.600 -0.287 0.000 0.939 641 K CA -0.593 55.479 56.287 -0.359 0.000 0.809 641 K CB 1.453 33.455 32.500 -0.831 0.000 1.121 641 K HN 0.801 nan 8.250 nan 0.000 0.425 642 H N 1.003 120.285 119.070 0.353 0.000 2.600 642 H HA 0.303 4.860 4.556 0.001 0.000 0.357 642 H C -0.955 174.635 175.328 0.436 0.000 1.106 642 H CA -0.767 55.530 56.048 0.414 0.000 1.193 642 H CB 2.102 32.150 29.762 0.478 0.000 1.594 642 H HN 0.171 nan 8.280 nan 0.000 0.526 643 V N 4.819 124.971 119.914 0.395 0.000 2.284 643 V HA 0.144 4.264 4.120 0.001 0.000 0.274 643 V C 0.122 176.286 176.094 0.117 0.000 1.023 643 V CA -0.561 61.864 62.300 0.208 0.000 0.808 643 V CB 1.240 33.079 31.823 0.026 0.000 1.035 643 V HN 0.446 nan 8.190 nan 0.000 0.445 644 L N 3.755 125.124 121.223 0.243 0.000 2.276 644 L HA 0.604 4.945 4.340 0.001 0.000 0.286 644 L C 0.032 176.960 176.870 0.097 0.000 1.061 644 L CA 0.285 55.211 54.840 0.143 0.000 0.807 644 L CB 1.135 43.304 42.059 0.182 0.000 1.177 644 L HN 0.687 nan 8.230 nan 0.000 0.429 645 E N 4.369 124.559 120.200 -0.017 0.000 2.182 645 E HA 0.251 4.602 4.350 0.001 0.000 0.258 645 E C -1.587 175.093 176.600 0.133 0.000 0.879 645 E CA -0.669 55.782 56.400 0.085 0.000 0.754 645 E CB 2.088 31.875 29.700 0.144 0.000 1.162 645 E HN 0.523 nan 8.360 nan 0.000 0.419 646 V N 5.900 125.908 119.914 0.156 0.000 2.385 646 V HA 0.257 4.377 4.120 0.001 0.000 0.269 646 V C -0.170 176.029 176.094 0.175 0.000 1.043 646 V CA -0.329 62.072 62.300 0.170 0.000 0.906 646 V CB 0.757 32.668 31.823 0.145 0.000 0.995 646 V HN 0.635 nan 8.190 nan 0.000 0.467 647 K N 4.300 124.806 120.400 0.176 0.000 2.230 647 K HA 0.400 4.721 4.320 0.001 0.000 0.253 647 K C -0.326 176.358 176.600 0.139 0.000 1.008 647 K CA -0.332 56.041 56.287 0.144 0.000 0.910 647 K CB 1.189 33.764 32.500 0.126 0.000 0.994 647 K HN 0.579 nan 8.250 nan 0.000 0.495 648 V N 0.000 119.962 119.914 0.080 0.000 2.409 648 V HA 0.000 4.121 4.120 0.001 0.000 0.244 648 V CA 0.000 62.313 62.300 0.021 0.000 1.235 648 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 648 V HN 0.000 nan 8.190 nan 0.000 0.556